Sample records for simulation studies relevant

  1. Application of all relevant feature selection for failure analysis of parameter-induced simulation crashes in climate models

    NASA Astrophysics Data System (ADS)

    Paja, W.; Wrzesień, M.; Niemiec, R.; Rudnicki, W. R.

    2015-07-01

    The climate models are extremely complex pieces of software. They reflect best knowledge on physical components of the climate, nevertheless, they contain several parameters, which are too weakly constrained by observations, and can potentially lead to a crash of simulation. Recently a study by Lucas et al. (2013) has shown that machine learning methods can be used for predicting which combinations of parameters can lead to crash of simulation, and hence which processes described by these parameters need refined analyses. In the current study we reanalyse the dataset used in this research using different methodology. We confirm the main conclusion of the original study concerning suitability of machine learning for prediction of crashes. We show, that only three of the eight parameters indicated in the original study as relevant for prediction of the crash are indeed strongly relevant, three other are relevant but redundant, and two are not relevant at all. We also show that the variance due to split of data between training and validation sets has large influence both on accuracy of predictions and relative importance of variables, hence only cross-validated approach can deliver robust prediction of performance and relevance of variables.

  2. Application of all-relevant feature selection for the failure analysis of parameter-induced simulation crashes in climate models

    NASA Astrophysics Data System (ADS)

    Paja, Wiesław; Wrzesien, Mariusz; Niemiec, Rafał; Rudnicki, Witold R.

    2016-03-01

    Climate models are extremely complex pieces of software. They reflect the best knowledge on the physical components of the climate; nevertheless, they contain several parameters, which are too weakly constrained by observations, and can potentially lead to a simulation crashing. Recently a study by Lucas et al. (2013) has shown that machine learning methods can be used for predicting which combinations of parameters can lead to the simulation crashing and hence which processes described by these parameters need refined analyses. In the current study we reanalyse the data set used in this research using different methodology. We confirm the main conclusion of the original study concerning the suitability of machine learning for the prediction of crashes. We show that only three of the eight parameters indicated in the original study as relevant for prediction of the crash are indeed strongly relevant, three others are relevant but redundant and two are not relevant at all. We also show that the variance due to the split of data between training and validation sets has a large influence both on the accuracy of predictions and on the relative importance of variables; hence only a cross-validated approach can deliver a robust prediction of performance and relevance of variables.

  3. A simple, inexpensive, and field-relevant microcosm tidal simulator for use in marsh macrophyte studies1

    PubMed Central

    MacTavish, Rachel M.; Cohen, Risa A.

    2014-01-01

    • Premise of the study: A microcosm unit with tidal simulation was developed to address the challenge of maintaining ecologically relevant tidal regimes while performing controlled greenhouse experiments on smooth cordgrass, Spartina alterniflora. • Methods and Results: We designed a simple, inexpensive, easily replicated microcosm unit with tidal simulation and tested whether S. alterniflora growth in microcosms with tidal simulation was similar to that of tidally influenced plants in the field on Sapelo Island, Georgia. After three months of exposure to either natural or simulated tidal treatment, plants in microcosms receiving tidal simulation had similar stem density, height, and above- and belowground biomass to plants in field plots. • Conclusions: The tidal simulator developed may provide an inexpensive, effective method for conducting studies on S. alterniflora and other tidally influenced plants in controlled settings to be used not only to complement field studies, but also in locations without coastal access. PMID:25383265

  4. Simulated Patient Studies: An Ethical Analysis

    PubMed Central

    Rhodes, Karin V; Miller, Franklin G

    2012-01-01

    Context In connection with health care reform, the U.S. Department of Health and Human Services commissioned a “mystery shopper,” or simulated patient study, to measure access to primary care. But the study was shelved because of public controversy over “government spying” on doctors. Opponents of the study also raised ethical concerns about the use of deception with human subjects without soliciting their informed consent. Methods We undertook an ethical analysis of the use of simulated patient techniques in health services research, with a particular focus on research measuring access to care. Using a case study, we explored relevant methodological considerations and ethical principles relating to deceptive research without informed consent, as well as U.S. federal regulations permitting exceptions to consent. Findings Several relevant considerations both favor and oppose soliciting consent for simulated patient studies. Making research participation conditional on informed consent protects the autonomy of research subjects and shields them from unreasonable exposure to research risks. However, scientific validity is also an important ethical principle of human subjects research, as the net risks to subjects must be justified by the value to society of the knowledge to be gained. The use of simulated patients to monitor access is a naturalistic and scientifically sound experimental design that can answer important policy-relevant questions, with minimal risks to human subjects. As interaction between researchers and subjects increases, however, so does the need for consent. Conclusions As long as adequate protections of confidentiality of research data are in place, minimally intrusive simulated patient research that gathers policy-relevant data on the health system without the consent of individuals working in that system can be ethically justified when the risks and burdens to research subjects are minimal and the research has the potential to generate socially valuable knowledge. PMID:23216428

  5. Anxiety and its time courses during radiotherapy for non-metastatic breast cancer: a longitudinal study.

    PubMed

    Lewis, Florence; Merckaert, Isabelle; Liénard, Aurore; Libert, Yves; Etienne, Anne-Marie; Reynaert, Christine; Slachmuylder, Jean-Louis; Scalliet, Pierre; Paul, Van Houtte; Coucke, Philippe; Salamon, Emile; Razavi, Darius

    2014-05-01

    To our knowledge, no study has specifically assessed the time course of anxiety during radiotherapy (RT). The objective of this study was to assess anxiety time courses in patients with non-metastatic breast cancer. This multicenter, descriptive longitudinal study included 213 consecutive patients with breast cancer who completed visual analog scales (VASs) assessing state anxiety before and after the RT simulation and the first and last five RT sessions. Pre- and post-session anxiety mean levels were highest at the RT simulation (respectively, 2.9±2.9 and 1.6±2.5) and first RT session (respectively, 3.4±2.9 and 2.0±2.4), then declined rapidly. Clinically relevant mean differences (⩾1cm on the VAS) between pre- and post-simulation/session VAS scores were found only for the RT simulation (-1.3±2.7; p<0.001) and first RT session (-1.4±2.4; p<0.001). Five percent to 16% of patients presented clinically relevant anxiety (pre- and post-simulation/session VAS scores⩾4cm) throughout treatment. To optimize care, RT team members should offer all patients appropriate information about treatment at the simulation, check patients' understanding, and identify patients with clinically relevant anxiety requiring appropriate support throughout RT. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  6. Social Studies: Application Units. Course II, Teachers. Computer-Oriented Curriculum. REACT (Relevant Educational Applications of Computer Technology).

    ERIC Educational Resources Information Center

    Tecnica Education Corp., San Carlos, CA.

    This book is one of a series in Course II of the Relevant Educational Applications of Computer Technology (REACT) Project. It is designed to point out to teachers two of the major applications of computers in the social sciences: simulation and data analysis. The first section contains a variety of simulation units organized under the following…

  7. The art and science of debriefing in simulation: Ideal and practice.

    PubMed

    Dieckmann, Peter; Molin Friis, Susanne; Lippert, Anne; Ostergaard, Doris

    2009-07-01

    Describing what simulation centre leaders see as the ideal debriefing for different simulator courses (medical vs. crisis resource management (CRM)-oriented). Describing the practice of debriefing based on interactions between instructors and training participants. Study 1 - Electronic questionnaire on the relevance of different roles of the medical teacher for debriefing (facilitator, role model, information provider, assessor, planner, resource developer) sent to simulation centre leaders. Study 2 - Observation study using a paper-and-pencil tool to code interactions during debriefings in simulation courses for CRM for content (medical vs. CRM-oriented) and type (question vs. utterance). Study 1 - The different roles were seen as equally important for both course types with the exception of 'information provider' which was seen as more relevant for medical courses. Study 2 - There were different interaction patterns during debriefings: line - involving mostly the instructor and one course participant, triangle - instructor and two participants, fan - instructor and all participants in a dyadic form and net - all participants and the instructor with cross references. What simulation centre heads think is important for the role mix of simulation instructors is (at least partly) not reflected in debriefing practice.

  8. Direct molecular dynamics simulation of Ge deposition on amorphous SiO 2 at experimentally relevant conditions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chuang, Claire Y.; Zepeda-Ruiz, Luis A.; Han, Sang M.

    2015-06-01

    Molecular dynamics simulations were used to study Ge island nucleation and growth on amorphous SiO 2 substrates. This process is relevant in selective epitaxial growth of Ge on Si, for which SiO 2 is often used as a template mask. The islanding process was studied over a wide range of temperatures and fluxes, using a recently proposed empirical potential model for the Si–SiO 2–Ge system. The simulations provide an excellent quantitative picture of the Ge islanding and compare well with detailed experimental measurements. These quantitative comparisons were enabled by an analytical rate model as a bridge between simulations and experimentsmore » despite the fact that deposition fluxes accessible in simulations and experiments are necessarily different by many orders of magnitude. In particular, the simulations led to accurate predictions of the critical island size and the scaling of island density as a function of temperature. Lastly, the overall approach used here should be useful not just for future studies in this particular system, but also for molecular simulations of deposition in other materials.« less

  9. Mobile Smog Simulator: New Capabilities to Study Urban Mixtures

    EPA Pesticide Factsheets

    A smog simulator developed by EPA scientists and engineers has unique capabilities that will provide information for assessing the health impacts of relevant multipollutant atmospheres and identify contributions of specific sources.

  10. Summarizing Simulation Results using Causally-relevant States

    PubMed Central

    Parikh, Nidhi; Marathe, Madhav; Swarup, Samarth

    2016-01-01

    As increasingly large-scale multiagent simulations are being implemented, new methods are becoming necessary to make sense of the results of these simulations. Even concisely summarizing the results of a given simulation run is a challenge. Here we pose this as the problem of simulation summarization: how to extract the causally-relevant descriptions of the trajectories of the agents in the simulation. We present a simple algorithm to compress agent trajectories through state space by identifying the state transitions which are relevant to determining the distribution of outcomes at the end of the simulation. We present a toy-example to illustrate the working of the algorithm, and then apply it to a complex simulation of a major disaster in an urban area. PMID:28042620

  11. Anxiety at the first radiotherapy session for non-metastatic breast cancer: key communication and communication-related predictors.

    PubMed

    Lewis, Florence; Merckaert, Isabelle; Liénard, Aurore; Libert, Yves; Etienne, Anne-Marie; Reynaert, Christine; Slachmuylder, Jean-Louis; Scalliet, Pierre; Van Houtte, Paul; Coucke, Philippe; Salamon, Emile; Razavi, Darius

    2015-01-01

    Patients may experience clinically relevant anxiety at their first radiotherapy (RT) sessions. To date, studies have not investigated during/around the RT simulation the key communication and communication-related predictors of this clinically relevant anxiety. Breast cancer patients (n=227) completed visual analog scale (VAS) assessments of anxiety before and after their first RT sessions. Clinically relevant anxiety was defined as having pre- and post-first RT session VAS scores ⩾4 cm. Communication during RT simulation was assessed with content analysis software (LaComm), and communication-related variables around the RT simulation were assessed with questionnaires. Clinically relevant anxiety at the first RT session was predicted by lower self-efficacy to communicate with the RT team (OR=0.65; p=0.020), the perception of lower support received from the RT team (OR=0.70; p=0.020), lower knowledge of RT-associated side effects (OR=0.95; p=0.057), and higher use of emotion-focused coping (OR=1.09; p=0.013). This study provides RT team members with information about potential communication strategies, which may be used to reduce patient anxiety at the first RT session. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  12. Experiment-scale molecular simulation study of liquid crystal thin films

    NASA Astrophysics Data System (ADS)

    Nguyen, Trung Dac; Carrillo, Jan-Michael Y.; Matheson, Michael A.; Brown, W. Michael

    2014-03-01

    Supercomputers have now reached a performance level adequate for studying thin films with molecular detail at the relevant scales. By exploiting the power of GPU accelerators on Titan, we have been able to perform simulations of characteristic liquid crystal films that provide remarkable qualitative agreement with experimental images. We have demonstrated that key features of spinodal instability can only be observed with sufficiently large system sizes, which were not accessible with previous simulation studies. Our study emphasizes the capability and significance of petascale simulations in providing molecular-level insights in thin film systems as well as other interfacial phenomena.

  13. Simulation of plasma loading of high-pressure RF cavities

    NASA Astrophysics Data System (ADS)

    Yu, K.; Samulyak, R.; Yonehara, K.; Freemire, B.

    2018-01-01

    Muon beam-induced plasma loading of radio-frequency (RF) cavities filled with high pressure hydrogen gas with 1% dry air dopant has been studied via numerical simulations. The electromagnetic code SPACE, that resolves relevant atomic physics processes, including ionization by the muon beam, electron attachment to dopant molecules, and electron-ion and ion-ion recombination, has been used. Simulations studies have been performed in the range of parameters typical for practical muon cooling channels.

  14. Simulation and Theory of Ions at Atmospherically Relevant Aqueous Liquid-Air Interfaces

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tobias, Douglas J.; Stern, Abraham C.; Baer, Marcel D.

    2013-04-01

    Chemistry occurring at or near the surfaces of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming increasingly useful for gaining atomic-scale insight into the structure and reactivity of aqueous interfaces in the atmosphere. Here we review simulation studies of atmospherically relevant aqueous liquid-air interfaces, with an emphasis on ions that play important roles in the chemistry of atmospheric aerosols. In addition to surveying results from simulation studies, we discuss challenges to the refinement and experimental validation of the methodology for simulating ion adsorption to the air-water interface, and recent advancesmore » in elucidating the driving forces for adsorption. We also review the recent development of a dielectric continuum theory that is capable of reproducing simulation and experimental data on ion behavior at aqueous interfaces. MDB and CJM acknowledge support from the US Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated for the Department of Energy by Battelle. MDB is supported by the Linus Pauling Distinguished Postdoctoral Fellowship Program at PNNL.« less

  15. Conducting Simulation Studies in the R Programming Environment.

    PubMed

    Hallgren, Kevin A

    2013-10-12

    Simulation studies allow researchers to answer specific questions about data analysis, statistical power, and best-practices for obtaining accurate results in empirical research. Despite the benefits that simulation research can provide, many researchers are unfamiliar with available tools for conducting their own simulation studies. The use of simulation studies need not be restricted to researchers with advanced skills in statistics and computer programming, and such methods can be implemented by researchers with a variety of abilities and interests. The present paper provides an introduction to methods used for running simulation studies using the R statistical programming environment and is written for individuals with minimal experience running simulation studies or using R. The paper describes the rationale and benefits of using simulations and introduces R functions relevant for many simulation studies. Three examples illustrate different applications for simulation studies, including (a) the use of simulations to answer a novel question about statistical analysis, (b) the use of simulations to estimate statistical power, and (c) the use of simulations to obtain confidence intervals of parameter estimates through bootstrapping. Results and fully annotated syntax from these examples are provided.

  16. Simulation of plasma loading of high-pressure RF cavities

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yu, K.; Samulyak, R.; Yonehara, K.

    2018-01-11

    Muon beam-induced plasma loading of radio-frequency (RF) cavities filled with high pressure hydrogen gas with 1% dry air dopant has been studied via numerical simulations. The electromagnetic code SPACE, that resolves relevant atomic physics processes, including ionization by the muon beam, electron attachment to dopant molecules, and electron-ion and ion-ion recombination, has been used. Simulations studies have also been performed in the range of parameters typical for practical muon cooling channels.

  17. Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics.

    PubMed

    Nagata, Yuki; Ohto, Tatsuhiko; Backus, Ellen H G; Bonn, Mischa

    2016-04-28

    Understanding aqueous interfaces at the molecular level is not only fundamentally important, but also highly relevant for a variety of disciplines. For instance, electrode-water interfaces are relevant for electrochemistry, as are mineral-water interfaces for geochemistry and air-water interfaces for environmental chemistry; water-lipid interfaces constitute the boundaries of the cell membrane, and are thus relevant for biochemistry. One of the major challenges in these fields is to link macroscopic properties such as interfacial reactivity, solubility, and permeability as well as macroscopic thermodynamic and spectroscopic observables to the structure, structural changes, and dynamics of molecules at these interfaces. Simulations, by themselves, or in conjunction with appropriate experiments, can provide such molecular-level insights into aqueous interfaces. In this contribution, we review the current state-of-the-art of three levels of molecular dynamics (MD) simulation: ab initio, force field, and coarse-grained. We discuss the advantages, the potential, and the limitations of each approach for studying aqueous interfaces, by assessing computations of the sum-frequency generation spectra and surface tension. The comparison of experimental and simulation data provides information on the challenges of future MD simulations, such as improving the force field models and the van der Waals corrections in ab initio MD simulations. Once good agreement between experimental observables and simulation can be established, the simulation can be used to provide insights into the processes at a level of detail that is generally inaccessible to experiments. As an example we discuss the mechanism of the evaporation of water. We finish by presenting an outlook outlining four future challenges for molecular dynamics simulations of aqueous interfacial systems.

  18. Visualization of Electrostatic Dipoles in Molecular Dynamics of Metal Oxides.

    PubMed

    Grottel, S; Beck, P; Muller, C; Reina, G; Roth, J; Trebin, H-R; Ertl, T

    2012-12-01

    Metal oxides are important for many technical applications. For example alumina (aluminum oxide) is the most commonly-used ceramic in microelectronic devices thanks to its excellent properties. Experimental studies of these materials are increasingly supplemented with computer simulations. Molecular dynamics (MD) simulations can reproduce the material behavior very well and are now reaching time scales relevant for interesting processes like crack propagation. In this work we focus on the visualization of induced electric dipole moments on oxygen atoms in crack propagation simulations. The straightforward visualization using glyphs for the individual atoms, simple shapes like spheres or arrows, is insufficient for providing information about the data set as a whole. As our contribution we show for the first time that fractional anisotropy values computed from the local neighborhood of individual atoms of MD simulation data depict important information about relevant properties of the field of induced electric dipole moments. Iso surfaces in the field of fractional anisotropy as well as adjustments of the glyph representation allow the user to identify regions of correlated orientation. We present novel and relevant findings for the application domain resulting from these visualizations, like the influence of mechanical forces on the electrostatic properties.

  19. Mental Simulation of Visceral States Affects Preferences and Behavior

    PubMed Central

    Steinmetz, Janina; Tausen, Brittany M.; Risen, Jane L.

    2017-01-01

    Preferences and behavior are heavily influenced by one’s current visceral experience, yet people often fail to anticipate such effects. Although research suggests that this gap is difficult to overcome—to act as if in another visceral state—research on mental simulation has demonstrated that simulations can substitute for experiences, albeit to a weaker extent. We examine whether mentally simulating visceral states can impact preferences and behavior. We show that simulating a specific visceral state (e.g., being cold or hungry) shifts people’s preferences for relevant activities (Studies 1a-2) and choices of food portion sizes (Study 3). Like actual visceral experiences, mental simulation only affects people’s current preferences but not their general preferences (Study 4). Finally, people project simulated states onto similar others, as is the case for actual visceral experiences (Study 5). Thus, mental simulation may help people anticipate their own and others’ future preferences, thereby improving their decision making. PMID:29161953

  20. Co-producing simulation models to inform resource management: a case study from southwest South Dakota

    USGS Publications Warehouse

    Miller, Brian W.; Symstad, Amy J.; Frid, Leonardo; Fisichelli, Nicholas A.; Schuurman, Gregor W.

    2017-01-01

    Simulation models can represent complexities of the real world and serve as virtual laboratories for asking “what if…?” questions about how systems might respond to different scenarios. However, simulation models have limited relevance to real-world applications when designed without input from people who could use the simulated scenarios to inform their decisions. Here, we report on a state-and-transition simulation model of vegetation dynamics that was coupled to a scenario planning process and co-produced by researchers, resource managers, local subject-matter experts, and climate change adaptation specialists to explore potential effects of climate scenarios and management alternatives on key resources in southwest South Dakota. Input from management partners and local experts was critical for representing key vegetation types, bison and cattle grazing, exotic plants, fire, and the effects of climate change and management on rangeland productivity and composition given the paucity of published data on many of these topics. By simulating multiple land management jurisdictions, climate scenarios, and management alternatives, the model highlighted important tradeoffs between grazer density and vegetation composition, as well as between the short- and long-term costs of invasive species management. It also pointed to impactful uncertainties related to the effects of fire and grazing on vegetation. More broadly, a scenario-based approach to model co-production bracketed the uncertainty associated with climate change and ensured that the most important (and impactful) uncertainties related to resource management were addressed. This cooperative study demonstrates six opportunities for scientists to engage users throughout the modeling process to improve model utility and relevance: (1) identifying focal dynamics and variables, (2) developing conceptual model(s), (3) parameterizing the simulation, (4) identifying relevant climate scenarios and management alternatives, (5) evaluating and refining the simulation, and (6) interpreting the results. We also reflect on lessons learned and offer several recommendations for future co-production efforts, with the aim of advancing the pursuit of usable science.

  1. Central venous catheterization training: current perspectives on the role of simulation

    PubMed Central

    Soffler, Morgan I; Hayes, Margaret M; Smith, C Christopher

    2018-01-01

    Simulation is a popular and effective training modality in medical education across a variety of domains. Central venous catheterization (CVC) is commonly undertaken by trainees, and carries significant risk for patient harm when carried out incorrectly. Multiple studies have evaluated the efficacy of simulation-based training programs, in comparison with traditional training modalities, on learner and patient outcomes. In this review, we discuss relevant adult learning principles that support simulation-based CVC training, review the literature on simulation-based CVC training, and highlight the use of simulation-based CVC training programs at various institutions. PMID:29872360

  2. Central venous catheterization training: current perspectives on the role of simulation.

    PubMed

    Soffler, Morgan I; Hayes, Margaret M; Smith, C Christopher

    2018-01-01

    Simulation is a popular and effective training modality in medical education across a variety of domains. Central venous catheterization (CVC) is commonly undertaken by trainees, and carries significant risk for patient harm when carried out incorrectly. Multiple studies have evaluated the efficacy of simulation-based training programs, in comparison with traditional training modalities, on learner and patient outcomes. In this review, we discuss relevant adult learning principles that support simulation-based CVC training, review the literature on simulation-based CVC training, and highlight the use of simulation-based CVC training programs at various institutions.

  3. Scale issues in soil hydrology related to measurement and simulation: A case study in Colorado

    USDA-ARS?s Scientific Manuscript database

    State variables, such as soil water content (SWC), are typically measured or inferred at very small scales while being simulated at larger scales relevant to spatial management or hillslope areas. Thus there is an implicit spatial disparity that is often ignored. Surface runoff, on the other hand, ...

  4. Toward a Common Structure in Demographic Educational Modeling and Simulation: A Complex Systems Approach

    ERIC Educational Resources Information Center

    Guevara, Porfirio

    2014-01-01

    This article identifies elements and connections that seem to be relevant to explain persistent aggregate behavioral patterns in educational systems when using complex dynamical systems modeling and simulation approaches. Several studies have shown what factors are at play in educational fields, but confusion still remains about the underlying…

  5. Modeling of Oligosaccharides within Glycoproteins from Free-Energy Landscapes

    PubMed Central

    2017-01-01

    In spite of the abundance of glycoproteins in biological processes, relatively little three-dimensional structural data is available for glycan structures. Here, we study the structure and flexibility of the vast majority of mammalian oligosaccharides appearing in N- and O-glycosylated proteins using a bottom up approach. We report the conformational free-energy landscapes of all relevant glycosidic linkages as obtained from local elevation simulations and subsequent umbrella sampling. To the best of our knowledge, this represents the first complete conformational library for the construction of N- and O-glycan structures. Next, we systematically study the effect of neighboring residues, by extensively simulating all relevant trisaccharides and one tetrasaccharide. This allows for an unprecedented comparison of disaccharide linkages in large oligosaccharides. With a small number of exceptions, the conformational preferences in the larger structures are very similar as in the disaccharides. This, finally, allows us to suggest several efficient approaches to construct complete N- and O-glycans on glycoproteins, as exemplified on two relevant examples. PMID:28816453

  6. Simulation modeling for stratified breast cancer screening - a systematic review of cost and quality of life assumptions.

    PubMed

    Arnold, Matthias

    2017-12-02

    The economic evaluation of stratified breast cancer screening gains momentum, but produces also very diverse results. Systematic reviews so far focused on modeling techniques and epidemiologic assumptions. However, cost and utility parameters received only little attention. This systematic review assesses simulation models for stratified breast cancer screening based on their cost and utility parameters in each phase of breast cancer screening and care. A literature review was conducted to compare economic evaluations with simulation models of personalized breast cancer screening. Study quality was assessed using reporting guidelines. Cost and utility inputs were extracted, standardized and structured using a care delivery framework. Studies were then clustered according to their study aim and parameters were compared within the clusters. Eighteen studies were identified within three study clusters. Reporting quality was very diverse in all three clusters. Only two studies in cluster 1, four studies in cluster 2 and one study in cluster 3 scored high in the quality appraisal. In addition to the quality appraisal, this review assessed if the simulation models were consistent in integrating all relevant phases of care, if utility parameters were consistent and methodological sound and if cost were compatible and consistent in the actual parameters used for screening, diagnostic work up and treatment. Of 18 studies, only three studies did not show signs of potential bias. This systematic review shows that a closer look into the cost and utility parameter can help to identify potential bias. Future simulation models should focus on integrating all relevant phases of care, using methodologically sound utility parameters and avoiding inconsistent cost parameters.

  7. Teaching childbirth with high-fidelity simulation. Is it better observing the scenario during the briefing session?

    PubMed

    Cuerva, Marcos J; Piñel, Carlos S; Martin, Lourdes; Espinosa, Jose A; Corral, Octavio J; Mendoza, Nicolás

    2018-02-12

    The design of optimal courses for obstetric undergraduate teaching is a relevant question. This study evaluates two different designs of simulator-based learning activity on childbirth with regard to respect to the patient, obstetric manoeuvres, interpretation of cardiotocography tracings (CTG) and infection prevention. This randomised experimental study which differs in the content of their briefing sessions consisted of two groups of undergraduate students, who performed two simulator-based learning activities on childbirth. The first briefing session included the observations of a properly performed scenario according to Spanish clinical practice guidelines on care in normal childbirth by the teachers whereas the second group did not include the observations of a properly performed scenario, and the students observed it only after the simulation process. The group that observed a properly performed scenario after the simulation obtained worse grades during the simulation, but better grades during the debriefing and evaluation. Simulator use in childbirth may be more fruitful when the medical students observe correct performance at the completion of the scenario compared to that at the start of the scenario. Impact statement What is already known on this subject? There is a scarcity of literature about the design of optimal high-fidelity simulation training in childbirth. It is known that preparing simulator-based learning activities is a complex process. Simulator-based learning includes the following steps: briefing, simulation, debriefing and evaluation. The most important part of high-fidelity simulations is the debriefing. A good briefing and simulation are of high relevance in order to have a fruitful debriefing session. What do the results of this study add? Our study describes a full simulator-based learning activity on childbirth that can be reproduced in similar facilities. The findings of this study add that high-fidelity simulation training in childbirth is favoured by a short briefing session and an abrupt start to the scenario, rather than a long briefing session that includes direct instruction in the scenario. What are the implications of these findings for clinical practice and/or further research? The findings of this study reveal what to include in the briefing of simulator-based learning activities on childbirth. These findings have implications in medical teaching and in medical practice.

  8. Formation and field-driven dynamics of nematic spheroids.

    PubMed

    Fu, Fred; Abukhdeir, Nasser Mohieddin

    2017-07-19

    Unlike the canonical application of liquid crystals (LCs), LC displays, emerging technologies based on LC materials are increasingly leveraging the presence of nanoscale defects. The inherent nanoscale characteristics of LC defects present both significant opportunities as well as barriers for the application of this fascinating class of materials. Simulation-based approaches to the study of the effects of confinement and interface anchoring conditions on LC domains has resulted in significant progress over the past decade, where simulations are now able to access experimentally-relevant length scales while simultaneously capturing nanoscale defect structures. In this work, continuum simulations were performed in order to study the dynamics of micron-scale nematic LC spheroids of varying shape. Nematic spheroids are one of the simplest inherently defect-containing LC structures and are relevant to polymer-dispersed LC-based "smart" window technology. Simulation results include nematic phase formation and external field-switching dynamics of nematic spheroids ranging in shape from oblate to prolate. Results include both qualitative and quantitative insight into the complex coupling of nanoscale defect dynamics and structure transitions to micron-scale reorientation. Dynamic mechanisms are presented and related to structural transitions in LC defects present in the nematic domain. Domain-averaged metrics including order parameters and response times are determined for a range of experimentally-accessible electric field strengths. These results have both fundamental and technological relevance, in that increased understanding of LC dynamics in the presence of defects is a key barrier to continued advancement in the field.

  9. How To Create Complex Measurement Models: A Case Study of Principled Assessment Design.

    ERIC Educational Resources Information Center

    Bauer, Malcolm; Williamson, David M.; Steinberg, Linda S.; Mislevy, Robert J.; Behrens, John T.

    In computer-based simulations, students must bring a wide range of relevant knowledge, skills, and abilities to bear jointly as they solve meaningful problems in a learning domain. To function effectively as an assessment, a simulation system must additionally be able to evoke and interpret observable evidence about targeted knowledge in a manner…

  10. Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations.

    PubMed

    Sultan, Mohammad M; Kiss, Gert; Shukla, Diwakar; Pande, Vijay S

    2014-12-09

    Given the large number of crystal structures and NMR ensembles that have been solved to date, classical molecular dynamics (MD) simulations have become powerful tools in the atomistic study of the kinetics and thermodynamics of biomolecular systems on ever increasing time scales. By virtue of the high-dimensional conformational state space that is explored, the interpretation of large-scale simulations faces difficulties not unlike those in the big data community. We address this challenge by introducing a method called clustering based feature selection (CB-FS) that employs a posterior analysis approach. It combines supervised machine learning (SML) and feature selection with Markov state models to automatically identify the relevant degrees of freedom that separate conformational states. We highlight the utility of the method in the evaluation of large-scale simulations and show that it can be used for the rapid and automated identification of relevant order parameters involved in the functional transitions of two exemplary cell-signaling proteins central to human disease states.

  11. Development of Simulation Methods in the Gibbs Ensemble to Predict Polymer-Solvent Phase Equilibria

    NASA Astrophysics Data System (ADS)

    Gartner, Thomas; Epps, Thomas; Jayaraman, Arthi

    Solvent vapor annealing (SVA) of polymer thin films is a promising method for post-deposition polymer film morphology control. The large number of important parameters relevant to SVA (polymer, solvent, and substrate chemistries, incoming film condition, annealing and solvent evaporation conditions) makes systematic experimental study of SVA a time-consuming endeavor, motivating the application of simulation and theory to the SVA system to provide both mechanistic insight and scans of this wide parameter space. However, to rigorously treat the phase equilibrium between polymer film and solvent vapor while still probing the dynamics of SVA, new simulation methods must be developed. In this presentation, we compare two methods to study polymer-solvent phase equilibrium-Gibbs Ensemble Molecular Dynamics (GEMD) and Hybrid Monte Carlo/Molecular Dynamics (Hybrid MC/MD). Liquid-vapor equilibrium results are presented for the Lennard Jones fluid and for coarse-grained polymer-solvent systems relevant to SVA. We found that the Hybrid MC/MD method is more stable and consistent than GEMD, but GEMD has significant advantages in computational efficiency. We propose that Hybrid MC/MD simulations be used for unfamiliar systems in certain choice conditions, followed by much faster GEMD simulations to map out the remainder of the phase window.

  12. Simulation-based training for prostate surgery.

    PubMed

    Khan, Raheej; Aydin, Abdullatif; Khan, Muhammad Shamim; Dasgupta, Prokar; Ahmed, Kamran

    2015-10-01

    To identify and review the currently available simulators for prostate surgery and to explore the evidence supporting their validity for training purposes. A review of the literature between 1999 and 2014 was performed. The search terms included a combination of urology, prostate surgery, robotic prostatectomy, laparoscopic prostatectomy, transurethral resection of the prostate (TURP), simulation, virtual reality, animal model, human cadavers, training, assessment, technical skills, validation and learning curves. Furthermore, relevant abstracts from the American Urological Association, European Association of Urology, British Association of Urological Surgeons and World Congress of Endourology meetings, between 1999 and 2013, were included. Only studies related to prostate surgery simulators were included; studies regarding other urological simulators were excluded. A total of 22 studies that carried out a validation study were identified. Five validated models and/or simulators were identified for TURP, one for photoselective vaporisation of the prostate, two for holmium enucleation of the prostate, three for laparoscopic radical prostatectomy (LRP) and four for robot-assisted surgery. Of the TURP simulators, all five have demonstrated content validity, three face validity and four construct validity. The GreenLight laser simulator has demonstrated face, content and construct validities. The Kansai HoLEP Simulator has demonstrated face and content validity whilst the UroSim HoLEP Simulator has demonstrated face, content and construct validity. All three animal models for LRP have been shown to have construct validity whilst the chicken skin model was also content valid. Only two robotic simulators were identified with relevance to robot-assisted laparoscopic prostatectomy, both of which demonstrated construct validity. A wide range of different simulators are available for prostate surgery, including synthetic bench models, virtual-reality platforms, animal models, human cadavers, distributed simulation and advanced training programmes and modules. The currently validated simulators can be used by healthcare organisations to provide supplementary training sessions for trainee surgeons. Further research should be conducted to validate simulated environments, to determine which simulators have greater efficacy than others and to assess the cost-effectiveness of the simulators and the transferability of skills learnt. With surgeons investigating new possibilities for easily reproducible and valid methods of training, simulation offers great scope for implementation alongside traditional methods of training. © 2014 The Authors BJU International © 2014 BJU International Published by John Wiley & Sons Ltd.

  13. DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nelson, Stacy; English, Shawn; Briggs, Timothy

    Fiber-reinforced composite materials offer light-weight solutions to many structural challenges. In the development of high-performance composite structures, a thorough understanding is required of the composite materials themselves as well as methods for the analysis and failure prediction of the relevant composite structures. However, the mechanical properties required for the complete constitutive definition of a composite material can be difficult to determine through experimentation. Therefore, efficient methods are necessary that can be used to determine which properties are relevant to the analysis of a specific structure and to establish a structure's response to a material parameter that can only be definedmore » through estimation. The objectives of this paper deal with demonstrating the potential value of sensitivity and uncertainty quantification techniques during the failure analysis of loaded composite structures; and the proposed methods are applied to the simulation of the four-point flexural characterization of a carbon fiber composite material. Utilizing a recently implemented, phenomenological orthotropic material model that is capable of predicting progressive composite damage and failure, a sensitivity analysis is completed to establish which material parameters are truly relevant to a simulation's outcome. Then, a parameter study is completed to determine the effect of the relevant material properties' expected variations on the simulated four-point flexural behavior as well as to determine the value of an unknown material property. This process demonstrates the ability to formulate accurate predictions in the absence of a rigorous material characterization effort. Finally, the presented results indicate that a sensitivity analysis and parameter study can be used to streamline the material definition process as the described flexural characterization was used for model validation.« less

  14. Steel Alloy Hot Roll Simulations and Through-Thickness Variation Using Dislocation Density-Based Modeling

    NASA Astrophysics Data System (ADS)

    Jansen Van Rensburg, G. J.; Kok, S.; Wilke, D. N.

    2017-10-01

    Different roll pass reduction schedules have different effects on the through-thickness properties of hot-rolled metal slabs. In order to assess or improve a reduction schedule using the finite element method, a material model is required that captures the relevant deformation mechanisms and physics. The model should also report relevant field quantities to assess variations in material state through the thickness of a simulated rolled metal slab. In this paper, a dislocation density-based material model with recrystallization is presented and calibrated on the material response of a high-strength low-alloy steel. The model has the ability to replicate and predict material response to a fair degree thanks to the physically motivated mechanisms it is built on. An example study is also presented to illustrate the possible effect different reduction schedules could have on the through-thickness material state and the ability to assess these effects based on finite element simulations.

  15. Application of the TEMPEST computer code for simulating hydrogen distribution in model containment structures. [PWR; BWR

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Trent, D.S.; Eyler, L.L.

    In this study several aspects of simulating hydrogen distribution in geometric configurations relevant to reactor containment structures were investigated using the TEMPEST computer code. Of particular interest was the performance of the TEMPEST turbulence model in a density-stratified environment. Computed results illustrated that the TEMPEST numerical procedures predicted the measured phenomena with good accuracy under a variety of conditions and that the turbulence model used is a viable approach in complex turbulent flow simulation.

  16. Integration of ATIS and crash avoidance in-vehicle information : preliminary simulator study

    DOT National Transportation Integrated Search

    1999-12-01

    This study investigated three issues relevant to Advanced Traveler Information System (ATIS) design: (1) the influence of an ATIS on driver performance in reduced visibility conditions, (2) the influence of an ATIS on drivers' reactions to unexpected...

  17. Research Review, 1984

    NASA Technical Reports Server (NTRS)

    1986-01-01

    A variety of topics relevant to global modeling and simulation are presented. Areas of interest include: (1) analysis and forecast studies; (2) satellite observing systems; (3) analysis and forecast model development; (4) atmospheric dynamics and diagnostic studies; (5) climate/ocean-air interactions; and notes from lectures.

  18. Large-eddy simulation of the urban boundary layer in the MEGAPOLI Paris Plume experiment

    NASA Astrophysics Data System (ADS)

    Esau, Igor

    2010-05-01

    This study presents results from the specific large-eddy simulation study of the urban boundary layer in the MEGAPOLI Paris Plume field campaign. We used LESNIC and PALM codes, MEGAPOLI city morphology database, nudging to the observed meteorological conditions during the Paris Plume campaign and some concentration measurements from that campaign to simulate and better understand the nature of the urban boundary layer on scales larger then the street canyon scales. The primary attention was paid to turbulence self-organization and structure-to-surface interaction. The study has been aimed to demonstrate feasibility and estimate required resources for such research. Therefore, at this stage we do not compare the simulation with other relevant studies as well as we do not formulate the theoretical conclusions.

  19. Two-Dimensional Self-Consistent Radio Frequency Plasma Simulations Relevant to the Gaseous Electronics Conference RF Reference Cell

    PubMed Central

    Lymberopoulos, Dimitris P.; Economou, Demetre J.

    1995-01-01

    Over the past few years multidimensional self-consistent plasma simulations including complex chemistry have been developed which are promising tools for furthering our understanding of reactive gas plasmas and for reactor design and optimization. These simulations must be benchmarked against experimental data obtained in well-characterized systems such as the Gaseous Electronics Conference (GEC) reference cell. Two-dimensional simulations relevant to the GEC Cell are reviewed in this paper with emphasis on fluid simulations. Important features observed experimentally, such as off-axis maxima in the charge density and hot spots of metastable species density near the electrode edges in capacitively-coupled GEC cells, have been captured by these simulations. PMID:29151756

  20. Simulating the cumulative effects of multiple forest management strategies on landscape measures of forest sustainability

    Treesearch

    Eric J. Gustafson; David E. Lytle; Randy Swaty; Craig Loehle

    2007-01-01

    While the cumulative effects of the actions of multiple owners have long been recognized as critically relevant to efforts to maintain sustainable forests at the landscape scale, few studies have addressed these effects. We used the HARVEST timber harvest simulator to predict the cumulative effects of four owner groups (two paper companies, a state forest and non-...

  1. The Efficacy of Simulation as a Pedagogy in Facilitating Pre-Service Teachers' Learning about Emotional Self-Regulation and Its Relevance to the Teaching Profession

    ERIC Educational Resources Information Center

    De Jong, Terry; Lane, Jeniffer; Sharp, Sue

    2012-01-01

    This study was undertaken in response to the imperative of teacher education courses incorporating National Professional Standards for Teachers, in particular Standard 7, which deals with the professional engagement of teachers (AITSL, 2011). It aimed to evaluate the efficacy of simulation and active recall as a learner-centred pedagogy in…

  2. Stochastic model search with binary outcomes for genome-wide association studies.

    PubMed

    Russu, Alberto; Malovini, Alberto; Puca, Annibale A; Bellazzi, Riccardo

    2012-06-01

    The spread of case-control genome-wide association studies (GWASs) has stimulated the development of new variable selection methods and predictive models. We introduce a novel Bayesian model search algorithm, Binary Outcome Stochastic Search (BOSS), which addresses the model selection problem when the number of predictors far exceeds the number of binary responses. Our method is based on a latent variable model that links the observed outcomes to the underlying genetic variables. A Markov Chain Monte Carlo approach is used for model search and to evaluate the posterior probability of each predictor. BOSS is compared with three established methods (stepwise regression, logistic lasso, and elastic net) in a simulated benchmark. Two real case studies are also investigated: a GWAS on the genetic bases of longevity, and the type 2 diabetes study from the Wellcome Trust Case Control Consortium. Simulations show that BOSS achieves higher precisions than the reference methods while preserving good recall rates. In both experimental studies, BOSS successfully detects genetic polymorphisms previously reported to be associated with the analyzed phenotypes. BOSS outperforms the other methods in terms of F-measure on simulated data. In the two real studies, BOSS successfully detects biologically relevant features, some of which are missed by univariate analysis and the three reference techniques. The proposed algorithm is an advance in the methodology for model selection with a large number of features. Our simulated and experimental results showed that BOSS proves effective in detecting relevant markers while providing a parsimonious model.

  3. Simulation in bronchoscopy: current and future perspectives.

    PubMed

    Nilsson, Philip Mørkeberg; Naur, Therese Maria Henriette; Clementsen, Paul Frost; Konge, Lars

    2017-01-01

    To provide an overview of current literature that informs how to approach simulation practice of bronchoscopy and discuss how findings from other simulation research can help inform the use of simulation in bronchoscopy training. We conducted a literature search on simulation training of bronchoscopy and divided relevant studies in three categories: 1) structuring simulation training in bronchoscopy, 2) assessment of competence in bronchoscopy training, and 3) development of cheap alternatives for bronchoscopy simulation. Bronchoscopy simulation is effective, and the training should be structured as distributed practice with mastery learning criteria (ie, training until a certain level of competence is achieved). Dyad practice (training in pairs) is possible and may increase utility of available simulators. Trainee performance should be assessed with assessment tools with established validity. Three-dimensional printing is a promising new technology opening possibilities for developing cheap simulators with innovative features.

  4. Direct Numerical Simulation of a Cavity-Stabilized Ethylene/Air Premixed Flame

    NASA Astrophysics Data System (ADS)

    Chen, Jacqueline; Konduri, Aditya; Kolla, Hemanth; Rauch, Andreas; Chelliah, Harsha

    2016-11-01

    Cavity flame holders have been shown to be important for flame stabilization in scramjet combustors. In the present study the stabilization of a lean premixed ethylene/air flame in a rectangular cavity at thermo-chemical conditions relevant to scramjet combustors is simulated using a compressible reacting multi-block direct numerical simulation solver, S3D, incorporating a 22 species ethylene-air reduced chemical model. The fuel is premixed with air to an equivalence ratio of 0.4 and enters the computational domain at Mach numbers between 0.3 and 0.6. An auxiliary inert channel flow simulation is used to provide the turbulent velocity profile at the inlet for the reacting flow simulation. The detailed interaction between intense turbulence, nonequilibrium concentrations of radical species formed in the cavity and mixing with the premixed main stream under density variations due to heat release rate and compressibility effects is quantified. The mechanism for flame stabilization is quantified in terms of relevant non-dimensional parameters, and detailed analysis of the flame and turbulence structure will be presented. We acknowledge the sponsorship of the AFOSR-NSF Joint Effort on Turbulent Combustion Model Assumptions and the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.

  5. Virtual Design Method for Controlled Failure in Foldcore Sandwich Panels

    NASA Astrophysics Data System (ADS)

    Sturm, Ralf; Fischer, S.

    2015-12-01

    For certification, novel fuselage concepts have to prove equivalent crashworthiness standards compared to the existing metal reference design. Due to the brittle failure behaviour of CFRP this requirement can only be fulfilled by a controlled progressive crash kinematics. Experiments showed that the failure of a twin-walled fuselage panel can be controlled by a local modification of the core through-thickness compression strength. For folded cores the required change in core properties can be integrated by a modification of the fold pattern. However, the complexity of folded cores requires a virtual design methodology for tailoring the fold pattern according to all static and crash relevant requirements. In this context a foldcore micromodel simulation method is presented to identify the structural response of a twin-walled fuselage panels with folded core under crash relevant loading condition. The simulations showed that a high degree of correlation is required before simulation can replace expensive testing. In the presented studies, the necessary correlation quality could only be obtained by including imperfections of the core material in the micromodel simulation approach.

  6. Enhanced conformational sampling of carbohydrates by Hamiltonian replica-exchange simulation.

    PubMed

    Mishra, Sushil Kumar; Kara, Mahmut; Zacharias, Martin; Koca, Jaroslav

    2014-01-01

    Knowledge of the structure and conformational flexibility of carbohydrates in an aqueous solvent is important to improving our understanding of how carbohydrates function in biological systems. In this study, we extend a variant of the Hamiltonian replica-exchange molecular dynamics (MD) simulation to improve the conformational sampling of saccharides in an explicit solvent. During the simulations, a biasing potential along the glycosidic-dihedral linkage between the saccharide monomer units in an oligomer is applied at various levels along the replica runs to enable effective transitions between various conformations. One reference replica runs under the control of the original force field. The method was tested on disaccharide structures and further validated on biologically relevant blood group B, Lewis X and Lewis A trisaccharides. The biasing potential-based replica-exchange molecular dynamics (BP-REMD) method provided a significantly improved sampling of relevant conformational states compared with standard continuous MD simulations, with modest computational costs. Thus, the proposed BP-REMD approach adds a new dimension to existing carbohydrate conformational sampling approaches by enhancing conformational sampling in the presence of solvent molecules explicitly at relatively low computational cost.

  7. Composite laminate failure parameter optimization through four-point flexure experimentation and analysis

    DOE PAGES

    Nelson, Stacy; English, Shawn; Briggs, Timothy

    2016-05-06

    Fiber-reinforced composite materials offer light-weight solutions to many structural challenges. In the development of high-performance composite structures, a thorough understanding is required of the composite materials themselves as well as methods for the analysis and failure prediction of the relevant composite structures. However, the mechanical properties required for the complete constitutive definition of a composite material can be difficult to determine through experimentation. Therefore, efficient methods are necessary that can be used to determine which properties are relevant to the analysis of a specific structure and to establish a structure's response to a material parameter that can only be definedmore » through estimation. The objectives of this paper deal with demonstrating the potential value of sensitivity and uncertainty quantification techniques during the failure analysis of loaded composite structures; and the proposed methods are applied to the simulation of the four-point flexural characterization of a carbon fiber composite material. Utilizing a recently implemented, phenomenological orthotropic material model that is capable of predicting progressive composite damage and failure, a sensitivity analysis is completed to establish which material parameters are truly relevant to a simulation's outcome. Then, a parameter study is completed to determine the effect of the relevant material properties' expected variations on the simulated four-point flexural behavior as well as to determine the value of an unknown material property. This process demonstrates the ability to formulate accurate predictions in the absence of a rigorous material characterization effort. Finally, the presented results indicate that a sensitivity analysis and parameter study can be used to streamline the material definition process as the described flexural characterization was used for model validation.« less

  8. Simulating Expert Clinical Comprehension: Adapting Latent Semantic Analysis to Accurately Extract Clinical Concepts from Psychiatric Narrative

    PubMed Central

    Cohen, Trevor; Blatter, Brett; Patel, Vimla

    2008-01-01

    Cognitive studies reveal that less-than-expert clinicians are less able to recognize meaningful patterns of data in clinical narratives. Accordingly, psychiatric residents early in training fail to attend to information that is relevant to diagnosis and the assessment of dangerousness. This manuscript presents cognitively motivated methodology for the simulation of expert ability to organize relevant findings supporting intermediate diagnostic hypotheses. Latent Semantic Analysis is used to generate a semantic space from which meaningful associations between psychiatric terms are derived. Diagnostically meaningful clusters are modeled as geometric structures within this space and compared to elements of psychiatric narrative text using semantic distance measures. A learning algorithm is defined that alters components of these geometric structures in response to labeled training data. Extraction and classification of relevant text segments is evaluated against expert annotation, with system-rater agreement approximating rater-rater agreement. A range of biomedical informatics applications for these methods are suggested. PMID:18455483

  9. Theoretical study of a molecular turbine.

    PubMed

    Perez-Carrasco, R; Sancho, J M

    2013-10-01

    We present an analytic and stochastic simulation study of a molecular engine working with a flux of particles as a turbine. We focus on the physical observables of velocity, flux, power, and efficiency. The control parameters are the external conservative force and the particle densities. We revise a simpler previous study by using a more realistic model containing multiple equidistant vanes complemented by stochastic simulations of the particles and the turbine. Here we show that the effect of the thermal fluctuations into the flux and the efficiency of these nanometric devices are relevant to the working scale of the system. The stochastic simulations of the Brownian motion of the particles and turbine support the simplified analytical calculations performed.

  10. i3Drive, a 3D interactive driving simulator.

    PubMed

    Ambroz, Miha; Prebil, Ivan

    2010-01-01

    i3Drive, a wheeled-vehicle simulator, can accurately simulate vehicles of various configurations with up to eight wheels in real time on a desktop PC. It presents the vehicle dynamics as an interactive animation in a virtual 3D environment. The application is fully GUI-controlled, giving users an easy overview of the simulation parameters and letting them adjust those parameters interactively. It models all relevant vehicle systems, including the mechanical models of the suspension, power train, and braking and steering systems. The simulation results generally correspond well with actual measurements, making the system useful for studying vehicle performance in various driving scenarios. i3Drive is thus a worthy complement to other, more complex tools for vehicle-dynamics simulation and analysis.

  11. Skill of ENSEMBLES seasonal re-forecasts for malaria prediction in West Africa

    NASA Astrophysics Data System (ADS)

    Jones, A. E.; Morse, A. P.

    2012-12-01

    This study examines the performance of malaria-relevant climate variables from the ENSEMBLES seasonal ensemble re-forecasts for sub-Saharan West Africa, using a dynamic malaria model to transform temperature and rainfall forecasts into simulated malaria incidence and verifying these forecasts against simulations obtained by driving the malaria model with General Circulation Model-derived reanalysis. Two subregions of forecast skill are identified: the highlands of Cameroon, where low temperatures limit simulated malaria during the forecast period and interannual variability in simulated malaria is closely linked to variability in temperature, and northern Nigeria/southern Niger, where simulated malaria variability is strongly associated with rainfall variability during the peak rain months.

  12. THERMODYNAMICS OF FE-CU ALLOYS AS DESCRIBED BY A CLASSIC POTENTIALS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Caro, A; Caro, M; Lopasso, E M

    2005-04-14

    The Fe-Cu system is of relevance to the nuclear industry because of the deleterious consequences of Cu precipitates in the mechanical properties of Fe. Several sets of classical potentials are used in molecular dynamics simulations studies of this system, in particular that proposed by Ludwig et al. (Modelling Simul. Mater. Sci. Eng. 6, 19 (1998)). In this work we extract thermodynamic information from this interatomic potentials. We obtain equilibrium phase diagram and find a reasonable agreement with the experimental phases in the regions of relevance to radiation damage studies. We compare the results with the predicted phase diagram based onmore » other potential, as calculated in previous work. We discuss the disagreements found between the phase diagram calculated here and experimental results, focusing on the pure components and discuss the applicability of these potentials; finally we suggest an approach to improve existing potentials for this system.« less

  13. A Computer Simulation of Audience Exposure in a Mass Media System: The United Nations Information Campaign in Cincinnati, 1947-1948.

    ERIC Educational Resources Information Center

    Kramer, John Francis

    A simulation of Cincinnati mass media system predicts frequency and reach of flow of messages from known facts taken from census statistics, newspaper and radio audience studies, and a content analysis of the press relevant to attitudes and opinions measured by NORC survey of the effects of a public information campaign on the United Nations made…

  14. Water scarcity and economic damage in Europe: regionally relevant simulations from 2000 to 2050

    NASA Astrophysics Data System (ADS)

    Bernhard, Jeroen; de Roo, Ad; Bisselink, Bernard; Gelati, Emiliano; Karssenberg, Derek; de Jong, Steven

    2017-04-01

    Water availability is unequally distributed across Europe. Where certain regions experience a surplus of water, other areas have limited water availability which causes economic damage to the water using sectors such as households, industries or agriculture. Future changes in climatic and socio-economic conditions are expected to further increase the competition for available water that is already present in Europe. This means there is an increasing need for models that are able to simulate this multi-sectorial system of water availability and demand and incorporate the socio-economic component required for robust decisions and policy support. We present our modelling study which is focused at providing regionally relevant pan-European water scarcity and economic damage simulations. First we developed regionally relevant pan-European water demand simulations for the household and industry sector from 2000 up to 2050. For the household sector we developed a model to simulate water use based on water price, income and several other relevant variables at NUTS-3 level (over 1200 regions in Europe). Alternatively, we modelled industrial water use based on regionally downscaled water productivity values at the national level for ten sub-sections of the NACE (Nomenclature of Economic Activities) classification for economic activities. Subsequently we used scenario projections of our explanatory variables to make scenario simulations of water demand from 2000 up to 2050 at pan-European scale with unprecedented spatial and sub-sectorial detail. In order to analyze the European water use system we integrated these water demand scenarios into the hydrological rainfall-runoff model called LISFLOOD (Distributed Water Balance and Flood Simulation Model), which incorporates a vegetation module for the simulation of crop yield and irrigation water demand of the agriculture sector. We simulated river discharge and groundwater availability for abstractions of water using sectors across Europe from 2000 up to 2050 at 5km grid level for multiple climate and socio-economic scenarios. This allowed us to identify regions with water scarcity problems from the recent past up to 2050 and quantify the economic damage that can be attributed to the limited water availability. Results showed several regions where substantially more water is extracted from the system than what would be sustainable into the future. Furthermore, we analyzed how changing water prices or relocation of economic activities could reduce future water scarcity problems and decrease the related economical damage. We found that for some regions, relatively small measurers already could have a positive impact on water scarcity problems.

  15. Molecular dynamics simulations: advances and applications

    PubMed Central

    Hospital, Adam; Goñi, Josep Ramon; Orozco, Modesto; Gelpí, Josep L

    2015-01-01

    Molecular dynamics simulations have evolved into a mature technique that can be used effectively to understand macromolecular structure-to-function relationships. Present simulation times are close to biologically relevant ones. Information gathered about the dynamic properties of macromolecules is rich enough to shift the usual paradigm of structural bioinformatics from studying single structures to analyze conformational ensembles. Here, we describe the foundations of molecular dynamics and the improvements made in the direction of getting such ensemble. Specific application of the technique to three main issues (allosteric regulation, docking, and structure refinement) is discussed. PMID:26604800

  16. Simulation-Based Prediction of Equivalent Continuous Noises during Construction Processes

    PubMed Central

    Zhang, Hong; Pei, Yun

    2016-01-01

    Quantitative prediction of construction noise is crucial to evaluate construction plans to help make decisions to address noise levels. Considering limitations of existing methods for measuring or predicting the construction noise and particularly the equivalent continuous noise level over a period of time, this paper presents a discrete-event simulation method for predicting the construction noise in terms of equivalent continuous level. The noise-calculating models regarding synchronization, propagation and equivalent continuous level are presented. The simulation framework for modeling the noise-affected factors and calculating the equivalent continuous noise by incorporating the noise-calculating models into simulation strategy is proposed. An application study is presented to demonstrate and justify the proposed simulation method in predicting the equivalent continuous noise during construction. The study contributes to provision of a simulation methodology to quantitatively predict the equivalent continuous noise of construction by considering the relevant uncertainties, dynamics and interactions. PMID:27529266

  17. Investigating a self-scoring interview simulation for learning and assessment in the medical consultation.

    PubMed

    Bruen, Catherine; Kreiter, Clarence; Wade, Vincent; Pawlikowska, Teresa

    2017-01-01

    Experience with simulated patients supports undergraduate learning of medical consultation skills. Adaptive simulations are being introduced into this environment. The authors investigate whether it can underpin valid and reliable assessment by conducting a generalizability analysis using IT data analytics from the interaction of medical students (in psychiatry) with adaptive simulations to explore the feasibility of adaptive simulations for supporting automated learning and assessment. The generalizability (G) study was focused on two clinically relevant variables: clinical decision points and communication skills. While the G study on the communication skills score yielded low levels of true score variance, the results produced by the decision points, indicating clinical decision-making and confirming user knowledge of the process of the Calgary-Cambridge model of consultation, produced reliability levels similar to what might be expected with rater-based scoring. The findings indicate that adaptive simulations have potential as a teaching and assessment tool for medical consultations.

  18. Simulation-Based Prediction of Equivalent Continuous Noises during Construction Processes.

    PubMed

    Zhang, Hong; Pei, Yun

    2016-08-12

    Quantitative prediction of construction noise is crucial to evaluate construction plans to help make decisions to address noise levels. Considering limitations of existing methods for measuring or predicting the construction noise and particularly the equivalent continuous noise level over a period of time, this paper presents a discrete-event simulation method for predicting the construction noise in terms of equivalent continuous level. The noise-calculating models regarding synchronization, propagation and equivalent continuous level are presented. The simulation framework for modeling the noise-affected factors and calculating the equivalent continuous noise by incorporating the noise-calculating models into simulation strategy is proposed. An application study is presented to demonstrate and justify the proposed simulation method in predicting the equivalent continuous noise during construction. The study contributes to provision of a simulation methodology to quantitatively predict the equivalent continuous noise of construction by considering the relevant uncertainties, dynamics and interactions.

  19. Using toxicokinetic-toxicodynamic modeling as an acute risk assessment refinement approach in vertebrate ecological risk assessment.

    PubMed

    Ducrot, Virginie; Ashauer, Roman; Bednarska, Agnieszka J; Hinarejos, Silvia; Thorbek, Pernille; Weyman, Gabriel

    2016-01-01

    Recent guidance identified toxicokinetic-toxicodynamic (TK-TD) modeling as a relevant approach for risk assessment refinement. Yet, its added value compared to other refinement options is not detailed, and how to conduct the modeling appropriately is not explained. This case study addresses these issues through 2 examples of individual-level risk assessment for 2 hypothetical plant protection products: 1) evaluating the risk for small granivorous birds and small omnivorous mammals of a single application, as a seed treatment in winter cereals, and 2) evaluating the risk for fish after a pulsed treatment in the edge-of-field zone. Using acute test data, we conducted the first tier risk assessment as defined in the European Food Safety Authority (EFSA) guidance. When first tier risk assessment highlighted a concern, refinement options were discussed. Cases where the use of models should be preferred over other existing refinement approaches were highlighted. We then practically conducted the risk assessment refinement by using 2 different models as examples. In example 1, a TK model accounting for toxicokinetics and relevant feeding patterns in the skylark and in the wood mouse was used to predict internal doses of the hypothetical active ingredient in individuals, based on relevant feeding patterns in an in-crop situation, and identify the residue levels leading to mortality. In example 2, a TK-TD model accounting for toxicokinetics, toxicodynamics, and relevant exposure patterns in the fathead minnow was used to predict the time-course of fish survival for relevant FOCUS SW exposure scenarios and identify which scenarios might lead to mortality. Models were calibrated using available standard data and implemented to simulate the time-course of internal dose of active ingredient or survival for different exposure scenarios. Simulation results were discussed and used to derive the risk assessment refinement endpoints used for decision. Finally, we compared the "classical" risk assessment approach with the model-based approach. These comparisons showed that TK and TK-TD models can bring more realism to the risk assessment through the possibility to study realistic exposure scenarios and to simulate relevant mechanisms of effects (including delayed toxicity and recovery). Noticeably, using TK-TD models is currently the most relevant way to directly connect realistic exposure patterns to effects. We conclude with recommendations on how to properly use TK and TK-TD model in acute risk assessment for vertebrates. © 2015 SETAC.

  20. Particle in cell simulation of instabilities in space and astrophysical plasmas

    NASA Astrophysics Data System (ADS)

    Tonge, John William

    Several plasma instabilities relevant to space physics are investigated using the parallel PIC plasma simulation code P3arsec. This thesis addresses electrostatic micro-instabilities relevant to ion ring distributions, proceeds to electromagnetic micro-instabilities pertinent to streaming plasmas, and then to the stability of a plasma held in the field of a current rod. The physical relevance of each of these instabilities is discussed, a phenomenological description is given, and analytic and simulation results are presented and compared. Instability of a magnetized plasma with a portion of the ions in a velocity ring distribution around the magnetic field is investigated using simulation and analytic theory. The physics of this distribution is relevant to solar flares, x-ray emission by comets, and pulsars. Physical parameters, including the mass ratio, are near those of a solar flare in the simulation. The simulation and analytic results show agreement in the linear regime. In the nonlinear stage the simulation shows highly accelerated electrons in agreement with the observed spectrum of x-rays emitted by solar flares. A mildly relativistic streaming electron positron plasma with no ambient magnetic field is known to be unstable to electrostatic (two-stream/beam instability) and purely electromagnetic (Weibel) modes. This instability is relevant to highly energetic interstellar phenomena, including pulsars, supernova remnants, and the early universe. It is also important for experiments in which relativistic beams penetrate a background plasma, as in fast ignitor scenarios. Cold analytic theory is presented and compared to simulations. There is good agreement in the regime where cold theory applies. The simulation and theory shows that to properly characterize the instability, directions parallel and perpendicular to propagation of the beams must be considered. A residual magnetic field is observed which may be of astro-physical significance. The stability of a plasma in the magnetic field of a current rod is investigated for various temperature and density profiles. Such a plasma obeys similar physics to a plasma in a dipole magnetic field, while the current rod is much easier to analyze theoretically and realize in simulations. The stability properties of a plasma confined in a dipole field are important for understanding a variety of space phenomena and the Levitated Dipole eXperiment (LDX). Simple energy principle calculations and simulations with a variety of temperature and density profiles show that the plasma is stable to interchange for pressure profiles ∝ r-10/3. The simulations also show that the density profile will be stationary as long as density ∝ r -2 even though the temperature profile may not be stable.

  1. Creating Simulated Microgravity Patient Models

    NASA Technical Reports Server (NTRS)

    Hurst, Victor; Doerr, Harold K.; Bacal, Kira

    2004-01-01

    The Medical Operational Support Team (MOST) has been tasked by the Space and Life Sciences Directorate (SLSD) at the NASA Johnson Space Center (JSC) to integrate medical simulation into 1) medical training for ground and flight crews and into 2) evaluations of medical procedures and equipment for the International Space Station (ISS). To do this, the MOST requires patient models that represent the physiological changes observed during spaceflight. Despite the presence of physiological data collected during spaceflight, there is no defined set of parameters that illustrate or mimic a 'space normal' patient. Methods: The MOST culled space-relevant medical literature and data from clinical studies performed in microgravity environments. The areas of focus for data collection were in the fields of cardiovascular, respiratory and renal physiology. Results: The MOST developed evidence-based patient models that mimic the physiology believed to be induced by human exposure to a microgravity environment. These models have been integrated into space-relevant scenarios using a human patient simulator and ISS medical resources. Discussion: Despite the lack of a set of physiological parameters representing 'space normal,' the MOST developed space-relevant patient models that mimic microgravity-induced changes in terrestrial physiology. These models are used in clinical scenarios that will medically train flight surgeons, biomedical flight controllers (biomedical engineers; BME) and, eventually, astronaut-crew medical officers (CMO).

  2. Simulating Astrophysical Jets with Inertial Confinement Fusion Machines

    NASA Astrophysics Data System (ADS)

    Blue, Brent

    2005-10-01

    Large-scale directional outflows of supersonic plasma, also known as `jets', are ubiquitous phenomena in astrophysics. The traditional approach to understanding such phenomena is through theoretical analysis and numerical simulations. However, theoretical analysis might not capture all the relevant physics and numerical simulations have limited resolution and fail to scale correctly in Reynolds number and perhaps other key dimensionless parameters. Recent advances in high energy density physics using large inertial confinement fusion devices now allow controlled laboratory experiments on macroscopic volumes of plasma of direct relevance to astrophysics. This talk will present an overview of these facilities as well as results from current laboratory astrophysics experiments designed to study hydrodynamic jets and Rayleigh-Taylor mixing. This work is performed under the auspices of the U. S. DOE by Lawrence Livermore National Laboratory under Contract No. W-7405-ENG-48, Los Alamos National Laboratory under Contract No. W-7405-ENG-36, and the Laboratory for Laser Energetics under Contract No. DE-FC03-92SF19460.

  3. Stochastic model search with binary outcomes for genome-wide association studies

    PubMed Central

    Malovini, Alberto; Puca, Annibale A; Bellazzi, Riccardo

    2012-01-01

    Objective The spread of case–control genome-wide association studies (GWASs) has stimulated the development of new variable selection methods and predictive models. We introduce a novel Bayesian model search algorithm, Binary Outcome Stochastic Search (BOSS), which addresses the model selection problem when the number of predictors far exceeds the number of binary responses. Materials and methods Our method is based on a latent variable model that links the observed outcomes to the underlying genetic variables. A Markov Chain Monte Carlo approach is used for model search and to evaluate the posterior probability of each predictor. Results BOSS is compared with three established methods (stepwise regression, logistic lasso, and elastic net) in a simulated benchmark. Two real case studies are also investigated: a GWAS on the genetic bases of longevity, and the type 2 diabetes study from the Wellcome Trust Case Control Consortium. Simulations show that BOSS achieves higher precisions than the reference methods while preserving good recall rates. In both experimental studies, BOSS successfully detects genetic polymorphisms previously reported to be associated with the analyzed phenotypes. Discussion BOSS outperforms the other methods in terms of F-measure on simulated data. In the two real studies, BOSS successfully detects biologically relevant features, some of which are missed by univariate analysis and the three reference techniques. Conclusion The proposed algorithm is an advance in the methodology for model selection with a large number of features. Our simulated and experimental results showed that BOSS proves effective in detecting relevant markers while providing a parsimonious model. PMID:22534080

  4. Doctrinal Imbalance: A Study of Swedish Army Doctrine

    DTIC Science & Technology

    2014-06-13

    the Swedish National Defense College (SNDC), both to provide vital source material and also to assure me that the study is relevant and had a valid......interpretation of the simulation data. Furthermore, a CGSC tactics instructor, Mr. Steve Scholtz, checked the red and blue battle plans to assure that

  5. A Study of the U.S. Coast Guard Aviator Training Requirements.

    ERIC Educational Resources Information Center

    Hall, Eugene R.; And Others

    An analytical study conducted to define functional characteristics of modern, synthetic flight training equipment for the purpose of producing potentially better qualified aviators through a combination of aircraft and simulator training. Relevant training which aviators receive in preparation for specific aircraft duties and training requirements…

  6. The virtual reality simulator dV-Trainer(®) is a valid assessment tool for robotic surgical skills.

    PubMed

    Perrenot, Cyril; Perez, Manuela; Tran, Nguyen; Jehl, Jean-Philippe; Felblinger, Jacques; Bresler, Laurent; Hubert, Jacques

    2012-09-01

    Exponential development of minimally invasive techniques, such as robotic-assisted devices, raises the question of how to assess robotic surgery skills. Early development of virtual simulators has provided efficient tools for laparoscopic skills certification based on objective scoring, high availability, and lower cost. However, similar evaluation is lacking for robotic training. The purpose of this study was to assess several criteria, such as reliability, face, content, construct, and concurrent validity of a new virtual robotic surgery simulator. This prospective study was conducted from December 2009 to April 2010 using three simulators dV-Trainers(®) (MIMIC Technologies(®)) and one Da Vinci S(®) (Intuitive Surgical(®)). Seventy-five subjects, divided into five groups according to their initial surgical training, were evaluated based on five representative exercises of robotic specific skills: 3D perception, clutching, visual force feedback, EndoWrist(®) manipulation, and camera control. Analysis was extracted from (1) questionnaires (realism and interest), (2) automatically generated data from simulators, and (3) subjective scoring by two experts of depersonalized videos of similar exercises with robot. Face and content validity were generally considered high (77 %). Five levels of ability were clearly identified by the simulator (ANOVA; p = 0.0024). There was a strong correlation between automatic data from dV-Trainer and subjective evaluation with robot (r = 0.822). Reliability of scoring was high (r = 0.851). The most relevant criteria were time and economy of motion. The most relevant exercises were Pick and Place and Ring and Rail. The dV-Trainer(®) simulator proves to be a valid tool to assess basic skills of robotic surgery.

  7. Identifying and exploiting trait-relevant tissues with multiple functional annotations in genome-wide association studies

    PubMed Central

    Zhang, Shujun

    2018-01-01

    Genome-wide association studies (GWASs) have identified many disease associated loci, the majority of which have unknown biological functions. Understanding the mechanism underlying trait associations requires identifying trait-relevant tissues and investigating associations in a trait-specific fashion. Here, we extend the widely used linear mixed model to incorporate multiple SNP functional annotations from omics studies with GWAS summary statistics to facilitate the identification of trait-relevant tissues, with which to further construct powerful association tests. Specifically, we rely on a generalized estimating equation based algorithm for parameter inference, a mixture modeling framework for trait-tissue relevance classification, and a weighted sequence kernel association test constructed based on the identified trait-relevant tissues for powerful association analysis. We refer to our analytic procedure as the Scalable Multiple Annotation integration for trait-Relevant Tissue identification and usage (SMART). With extensive simulations, we show how our method can make use of multiple complementary annotations to improve the accuracy for identifying trait-relevant tissues. In addition, our procedure allows us to make use of the inferred trait-relevant tissues, for the first time, to construct more powerful SNP set tests. We apply our method for an in-depth analysis of 43 traits from 28 GWASs using tissue-specific annotations in 105 tissues derived from ENCODE and Roadmap. Our results reveal new trait-tissue relevance, pinpoint important annotations that are informative of trait-tissue relationship, and illustrate how we can use the inferred trait-relevant tissues to construct more powerful association tests in the Wellcome trust case control consortium study. PMID:29377896

  8. Using a human patient simulation mannequin to teach interdisciplinary team skills to pharmacy students.

    PubMed

    Fernandez, Rosemarie; Parker, Dennis; Kalus, James S; Miller, Douglas; Compton, Scott

    2007-06-15

    To determine the effectiveness and student acceptance of using a human patient simulation (HPS) training module focused on interdisciplinary teamwork skills. During their second-professional year, all pharmacy students were in enrolled in Principles of Pharmacotherapy 4: Cardiovascular Diseases and Patient Care Lab IV, a problem-based learning course. As part of the patient care laboratory, students participated in a simulated case of an acutely ill patient with a hypertensive emergency. During the simulation, students performed a history and physical examination. They then worked as a team to make treatment recommendations to the nursing and physician staff members. Following the exercise, a facilitated debriefing session was conducted. Students completed satisfaction surveys to assess the quality and effectiveness of the session. Over 98% of students agreed or strongly agreed that they learned material relevant to their current studies. When compared to student lectures, 90% of students felt that they learned clinical patient care better when using a HPS mannequin in simulated patient scenarios. HPS-based learning offers a realistic training experience through which clinical knowledge and interpersonal teamwork skills can be taught. Students enjoy the experience and find it relevant to their future practice. Simulation-based training may teach certain topics better than traditional lecture formats and as such could help to fill gaps in the current pharmacy curriculum.

  9. Estimating patient-specific soft-tissue properties in a TKA knee.

    PubMed

    Ewing, Joseph A; Kaufman, Michelle K; Hutter, Erin E; Granger, Jeffrey F; Beal, Matthew D; Piazza, Stephen J; Siston, Robert A

    2016-03-01

    Surgical technique is one factor that has been identified as critical to success of total knee arthroplasty. Researchers have shown that computer simulations can aid in determining how decisions in the operating room generally affect post-operative outcomes. However, to use simulations to make clinically relevant predictions about knee forces and motions for a specific total knee patient, patient-specific models are needed. This study introduces a methodology for estimating knee soft-tissue properties of an individual total knee patient. A custom surgical navigation system and stability device were used to measure the force-displacement relationship of the knee. Soft-tissue properties were estimated using a parameter optimization that matched simulated tibiofemoral kinematics with experimental tibiofemoral kinematics. Simulations using optimized ligament properties had an average root mean square error of 3.5° across all tests while simulations using generic ligament properties taken from literature had an average root mean square error of 8.4°. Specimens showed large variability among ligament properties regardless of similarities in prosthetic component alignment and measured knee laxity. These results demonstrate the importance of soft-tissue properties in determining knee stability, and suggest that to make clinically relevant predictions of post-operative knee motions and forces using computer simulations, patient-specific soft-tissue properties are needed. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

  10. The relevance of polymeric synthetic membranes in topical formulation assessment and drug diffusion study.

    PubMed

    Ng, Shiow-Fern; Rouse, Jennifer J; Sanderson, Francis D; Eccleston, Gillian M

    2012-03-01

    Synthetic membranes are composed of thin sheets of polymeric macromolecules that can control the passage of components through them. Generally, synthetic membranes used in drug diffusion studies have one of two functions: skin simulation or quality control. Synthetic membranes for skin simulation, such as the silicone-based membranes polydimethylsiloxane and Carbosil, are generally hydrophobic and rate limiting, imitating the stratum corneum. In contrast, synthetic membranes for quality control, such as cellulose esters and polysulfone, are required to act as a support rather than a barrier. These synthetic membranes also often contain pores; hence, they are called porous membranes. The significance of Franz diffusion studies and synthetic membranes in quality control studies involves an understanding of the fundamentals of synthetic membranes. This article provides a general overview of synthetic membranes, including a brief background of the history and the common applications of synthetic membranes. This review then explores the types of synthetic membranes, the transport mechanisms across them, and their relevance in choosing a synthetic membrane in Franz diffusion cell studies for formulation assessment purposes.

  11. Assessing the relevance of ecotoxicological studies for regulatory decision making.

    PubMed

    Rudén, Christina; Adams, Julie; Ågerstrand, Marlene; Brock, Theo Cm; Poulsen, Veronique; Schlekat, Christian E; Wheeler, James R; Henry, Tala R

    2017-07-01

    Regulatory policies in many parts of the world recognize either the utility of or the mandate that all available studies be considered in environmental or ecological hazard and risk assessment (ERA) of chemicals, including studies from the peer-reviewed literature. Consequently, a vast array of different studies and data types need to be considered. The first steps in the evaluation process involve determining whether the study is relevant to the ERA and sufficiently reliable. Relevance evaluation is typically performed using existing guidance but involves application of "expert judgment" by risk assessors. In the present paper, we review published guidance for relevance evaluation and, on the basis of the practical experience within the group of authors, we identify additional aspects and further develop already proposed aspects that should be considered when conducting a relevance assessment for ecotoxicological studies. From a regulatory point of view, the overarching key aspect of relevance concerns the ability to directly or indirectly use the study in ERA with the purpose of addressing specific protection goals and ultimately regulatory decision making. Because ERA schemes are based on the appropriate linking of exposure and effect estimates, important features of ecotoxicological studies relate to exposure relevance and biological relevance. Exposure relevance addresses the representativeness of the test substance, environmental exposure media, and exposure regime. Biological relevance deals with the environmental significance of the test organism and the endpoints selected, the ecological realism of the test conditions simulated in the study, as well as a mechanistic link of treatment-related effects for endpoints to the protection goal identified in the ERA. In addition, uncertainties associated with relevance should be considered in the assessment. A systematic and transparent assessment of relevance is needed for regulatory decision making. The relevance aspects also need to be considered by scientists when designing, performing, and reporting ecotoxicological studies to facilitate their use in ERA. Integr Environ Assess Manag 2017;13:652-663. © 2016 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals, Inc. on behalf of Society of Environmental Toxicology & Chemistry (SETAC). © 2016 The Authors. Integrated Environmental Assessment and Management Published by Wiley Periodicals, Inc. on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

  12. Simulation studies for the PANDA experiment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kopf, B.

    2005-10-26

    One main component of the planned Facility for Antiproton and Ion Research (FAIR) is the High Energy Storage Ring (HESR) at GSI, Darmstadt, which will provide cooled antiprotons with momenta between 1.5 and 15 GeV/c. The PANDA experiment will investigate p-barannihilations with internal hydrogen and nuclear targets. Due to the planned extensive physics program a multipurpose detector with nearly complete solid angle coverage, proper particle identification over a large momentum range, and high resolution calorimetry for neutral particles is required. For the optimization of the detector design simulation studies of several benchmark channels are in progress which are covering themore » most relevant physics topics. Some important simulation results are discussed here.« less

  13. Numerical simulations of Z-Pinch experiments to create supersonic differentially-rotating plasma flows

    NASA Astrophysics Data System (ADS)

    Bocchi, M.; Ummels, B.; Chittenden, J. P.; Lebedev, S. V.

    2012-02-01

    In the context of high energy density laboratory astrophysics, we aim to produce and study a rotating plasma relevant to accretion discs physics. We devised an experimental setup based on a modified cylindrical wire array and we studied it numerically with the three-dimensional, resistive magneto-hydrodynamic code GORGON. The simulations show that a rotating plasma cylinder is formed, with typical rotation velocity ~35 km/s and Mach number ~5. In addition, the plasma ring is differentially rotating and strongly radiatively cooled. The introduction of external magnetic fields is discussed.

  14. In silico analysis of antibiotic-induced Clostridium difficile infection: Remediation techniques and biological adaptations

    PubMed Central

    Carlson, Jean M.

    2018-01-01

    In this paper we study antibiotic-induced C. difficile infection (CDI), caused by the toxin-producing C. difficile (CD), and implement clinically-inspired simulated treatments in a computational framework that synthesizes a generalized Lotka-Volterra (gLV) model with SIR modeling techniques. The gLV model uses parameters derived from an experimental mouse model, in which the mice are administered antibiotics and subsequently dosed with CD. We numerically identify which of the experimentally measured initial conditions are vulnerable to CD colonization, then formalize the notion of CD susceptibility analytically. We simulate fecal transplantation, a clinically successful treatment for CDI, and discover that both the transplant timing and transplant donor are relevant to the the efficacy of the treatment, a result which has clinical implications. We incorporate two nongeneric yet dangerous attributes of CD into the gLV model, sporulation and antibiotic-resistant mutation, and for each identify relevant SIR techniques that describe the desired attribute. Finally, we rely on the results of our framework to analyze an experimental study of fecal transplants in mice, and are able to explain observed experimental results, validate our simulated results, and suggest model-motivated experiments. PMID:29451873

  15. In silico analysis of antibiotic-induced Clostridium difficile infection: Remediation techniques and biological adaptations.

    PubMed

    Jones, Eric W; Carlson, Jean M

    2018-02-01

    In this paper we study antibiotic-induced C. difficile infection (CDI), caused by the toxin-producing C. difficile (CD), and implement clinically-inspired simulated treatments in a computational framework that synthesizes a generalized Lotka-Volterra (gLV) model with SIR modeling techniques. The gLV model uses parameters derived from an experimental mouse model, in which the mice are administered antibiotics and subsequently dosed with CD. We numerically identify which of the experimentally measured initial conditions are vulnerable to CD colonization, then formalize the notion of CD susceptibility analytically. We simulate fecal transplantation, a clinically successful treatment for CDI, and discover that both the transplant timing and transplant donor are relevant to the the efficacy of the treatment, a result which has clinical implications. We incorporate two nongeneric yet dangerous attributes of CD into the gLV model, sporulation and antibiotic-resistant mutation, and for each identify relevant SIR techniques that describe the desired attribute. Finally, we rely on the results of our framework to analyze an experimental study of fecal transplants in mice, and are able to explain observed experimental results, validate our simulated results, and suggest model-motivated experiments.

  16. Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap

    NASA Astrophysics Data System (ADS)

    Spiwok, Vojtěch; Králová, Blanka

    2011-12-01

    Atomic motions in molecules are not linear. This infers that nonlinear dimensionality reduction methods can outperform linear ones in analysis of collective atomic motions. In addition, nonlinear collective motions can be used as potentially efficient guides for biased simulation techniques. Here we present a simulation with a bias potential acting in the directions of collective motions determined by a nonlinear dimensionality reduction method. Ad hoc generated conformations of trans,trans-1,2,4-trifluorocyclooctane were analyzed by Isomap method to map these 72-dimensional coordinates to three dimensions, as described by Brown and co-workers [J. Chem. Phys. 129, 064118 (2008)]. Metadynamics employing the three-dimensional embeddings as collective variables was applied to explore all relevant conformations of the studied system and to calculate its conformational free energy surface. The method sampled all relevant conformations (boat, boat-chair, and crown) and corresponding transition structures inaccessible by an unbiased simulation. This scheme allows to use essentially any parameter of the system as a collective variable in biased simulations. Moreover, the scheme we used for mapping out-of-sample conformations from the 72D to 3D space can be used as a general purpose mapping for dimensionality reduction, beyond the context of molecular modeling.

  17. Quantum simulation of 2D topological physics in a 1D array of optical cavities

    PubMed Central

    Luo, Xi-Wang; Zhou, Xingxiang; Li, Chuan-Feng; Xu, Jin-Shi; Guo, Guang-Can; Zhou, Zheng-Wei

    2015-01-01

    Orbital angular momentum of light is a fundamental optical degree of freedom characterized by unlimited number of available angular momentum states. Although this unique property has proved invaluable in diverse recent studies ranging from optical communication to quantum information, it has not been considered useful or even relevant for simulating nontrivial physics problems such as topological phenomena. Contrary to this misconception, we demonstrate the incredible value of orbital angular momentum of light for quantum simulation by showing theoretically how it allows to study a variety of important 2D topological physics in a 1D array of optical cavities. This application for orbital angular momentum of light not only reduces required physical resources but also increases feasible scale of simulation, and thus makes it possible to investigate important topics such as edge-state transport and topological phase transition in a small simulator ready for immediate experimental exploration. PMID:26145177

  18. Quantum simulation of 2D topological physics in a 1D array of optical cavities.

    PubMed

    Luo, Xi-Wang; Zhou, Xingxiang; Li, Chuan-Feng; Xu, Jin-Shi; Guo, Guang-Can; Zhou, Zheng-Wei

    2015-07-06

    Orbital angular momentum of light is a fundamental optical degree of freedom characterized by unlimited number of available angular momentum states. Although this unique property has proved invaluable in diverse recent studies ranging from optical communication to quantum information, it has not been considered useful or even relevant for simulating nontrivial physics problems such as topological phenomena. Contrary to this misconception, we demonstrate the incredible value of orbital angular momentum of light for quantum simulation by showing theoretically how it allows to study a variety of important 2D topological physics in a 1D array of optical cavities. This application for orbital angular momentum of light not only reduces required physical resources but also increases feasible scale of simulation, and thus makes it possible to investigate important topics such as edge-state transport and topological phase transition in a small simulator ready for immediate experimental exploration.

  19. Needs assessment for simulation training in neuroendoscopy: a Canadian national survey.

    PubMed

    Haji, Faizal A; Dubrowski, Adam; Drake, James; de Ribaupierre, Sandrine

    2013-02-01

    In recent years, dramatic changes in surgical education have increased interest in simulation-based training for complex surgical skills. This is particularly true for endoscopic third ventriculostomy (ETV), given the potential for serious intraoperative errors arising from surgical inexperience. However, prior to simulator development, a thorough assessment of training needs is essential to ensure development of educationally relevant platforms. The purpose of this study was to conduct a national needs assessment addressing specific goals of instruction, to guide development of simulation platforms, training curricula, and assessment metrics for ETV. Canadian neurosurgeons performing ETV were invited to participate in a structured online questionnaire regarding the procedural steps for ETV, the frequency and significance of intraoperative errors committed while learning the technique, and simulation training modules of greatest potential educational benefit. Descriptive data analysis was completed for both quantitative and qualitative responses. Thirty-two (55.2%) of 58 surgeons completed the survey. All believed that virtual reality simulation training for ETV would be a valuable addition to clinical training. Selection of ventriculostomy site, navigation within the ventricles, and performance of the ventriculostomy ranked as the most important steps to simulate. Technically inadequate ventriculostomy and inappropriate fenestration site selection were ranked as the most frequent/significant errors. A standard ETV module was thought to be most beneficial for resident training. To inform the development of a simulation-based training program for ETV, the authors have conducted a national needs assessment. The results provide valuable insight to inform key design elements necessary to construct an educationally relevant device and educational program.

  20. Simulation Testing for Selection of Critical Care Medicine Trainees. A Pilot Feasibility Study.

    PubMed

    Cocciante, Adriano G; Nguyen, Martin N; Marane, Candida F; Panayiotou, Anita E; Karahalios, Amalia; Beer, Janet A; Johal, Navroop; Morris, John; Turner, Stacy; Hessian, Elizabeth C

    2016-04-01

    Selection of physicians into anesthesiology, intensive care, and emergency medicine training has traditionally relied on evaluation of curriculum vitae, letters of recommendation, and interviews, despite these methods being poor predictors of subsequent workplace performance. In this study, we evaluated the feasibility and face validity of incorporating assessment of nontechnical skills in simulation and personality traits into an existing junior doctor selection framework. Candidates short-listed for a critical care residency position were invited to participate in the study. On the interview day, consenting candidates participated in a simulation scenario and debriefing and completed a personality test (16 Personality Factor Questionnaire) and a survey. Timing of participants' progression through the stations and faculty staff numbers were evaluated. Nontechnical skills were evaluated and candidates ranked using the Ottawa Crisis Resource Management Global Rating Scale (Ottawa GRS). Nontechnical skills ranking and traditional selection method ranking were compared using the concordance correlation coefficient. Interrater reliability was assessed using the concordance correlation coefficient. Thirteen of 20 eligible participants consented to study inclusion. All participants completed the necessary stations without significant time delays. Eighteen staff members were required to conduct interviews, simulation, debriefing, and personality testing. Participants rated the simulation station to be acceptable, fair, and relevant and as providing an opportunity to demonstrate abilities. Personality testing was rated less fair, less relevant, and less acceptable, and as giving less opportunity to demonstrate abilities. Participants reported that simulation was equally as stressful as the interview, whereas personality testing was rated less stressful. Assessors rated both personality testing and simulation as acceptable and able to provide additional information about candidates. The Ottawa GRS showed moderate interrater concordance. There was moderate concordance between rankings based on traditional selection methods and Ottawa GRS rankings (ρ = 0.52; 95% confidence interval, -0.02 to 0.82; P = 0.06). A multistation selection process involving interviews, simulation, and personality testing is feasible and has face validity. A potential barrier to adoption is the high number of faculty required to conduct the process.

  1. TESSIM: a simulator for the Athena-X-IFU

    NASA Astrophysics Data System (ADS)

    Wilms, J.; Smith, S. J.; Peille, P.; Ceballos, M. T.; Cobo, B.; Dauser, T.; Brand, T.; den Hartog, R. H.; Bandler, S. R.; de Plaa, J.; den Herder, J.-W. A.

    2016-07-01

    We present the design of tessim, a simulator for the physics of transition edge sensors developed in the framework of the Athena end to end simulation effort. Designed to represent the general behavior of transition edge sensors and to provide input for engineering and science studies for Athena, tessim implements a numerical solution of the linearized equations describing these devices. The simulation includes a model for the relevant noise sources and several implementations of possible trigger algorithms. Input and output of the software are standard FITS- files which can be visualized and processed using standard X-ray astronomical tool packages. Tessim is freely available as part of the SIXTE package (http://www.sternwarte.uni-erlangen.de/research/sixte/).

  2. TESSIM: A Simulator for the Athena-X-IFU

    NASA Technical Reports Server (NTRS)

    Wilms, J.; Smith, S. J.; Peille, P.; Ceballos, M. T.; Cobo, B.; Dauser, T.; Brand, T.; Den Hartog, R. H.; Bandler, S. R.; De Plaa, J.; hide

    2016-01-01

    We present the design of tessim, a simulator for the physics of transition edge sensors developed in the framework of the Athena end to end simulation effort. Designed to represent the general behavior of transition edge sensors and to provide input for engineering and science studies for Athena, tessim implements a numerical solution of the linearized equations describing these devices. The simulation includes a model for the relevant noise sources and several implementations of possible trigger algorithms. Input and output of the software are standard FITS-les which can be visualized and processed using standard X-ray astronomical tool packages. Tessim is freely available as part of the SIXTE package (http:www.sternwarte.uni-erlangen.deresearchsixte).

  3. MRI and Related Astrophysical Instabilities in the Lab

    NASA Astrophysics Data System (ADS)

    Goodman, Jeremy

    2018-06-01

    The dynamics of accretion in astronomical disks is only partly understood. Magnetorotational instability (MRI) is surely important but has been studied largely through linear analysis and numerical simulations rather than experiments. Also, it is unclear whether MRI is effective in protostellar disks, which are likely poor electrical conductors. Shear-driven hydrodynamic turbulence is very familiar in terrestrial flows, but simulations indicate that it is inhibited in disks. I summarize experimental progress and challenges relevant to both types of instability.

  4. Quark fragmentation functions in NJL-jet model

    NASA Astrophysics Data System (ADS)

    Bentz, Wolfgang; Matevosyan, Hrayr; Thomas, Anthony

    2014-09-01

    We report on our studies of quark fragmentation functions in the Nambu-Jona-Lasinio (NJL) - jet model. The results of Monte-Carlo simulations for the fragmentation functions to mesons and nucleons, as well as to pion and kaon pairs (dihadron fragmentation functions) are presented. The important role of intermediate vector meson resonances for those semi-inclusive deep inelastic production processes is emphasized. Our studies are very relevant for the extraction of transverse momentum dependent quark distribution functions from measured scattering cross sections. We report on our studies of quark fragmentation functions in the Nambu-Jona-Lasinio (NJL) - jet model. The results of Monte-Carlo simulations for the fragmentation functions to mesons and nucleons, as well as to pion and kaon pairs (dihadron fragmentation functions) are presented. The important role of intermediate vector meson resonances for those semi-inclusive deep inelastic production processes is emphasized. Our studies are very relevant for the extraction of transverse momentum dependent quark distribution functions from measured scattering cross sections. Supported by Grant in Aid for Scientific Research, Japanese Ministry of Education, Culture, Sports, Science and Technology, Project No. 20168769.

  5. Studies of particle wake potentials in plasmas

    NASA Astrophysics Data System (ADS)

    Ellis, Ian N.; Graziani, Frank R.; Glosli, James N.; Strozzi, David J.; Surh, Michael P.; Richards, David F.; Decyk, Viktor K.; Mori, Warren B.

    2011-09-01

    A detailed understanding of electron stopping and scattering in plasmas with variable values for the number of particles within a Debye sphere is still not at hand. Presently, there is some disagreement in the literature concerning the proper description of these processes. Theoretical models assume electrostatic (Coulomb force) interactions between particles and neglect magnetic effects. Developing and validating proper descriptions requires studying the processes using first-principle plasma simulations. We are using the particle-particle particle-mesh (PPPM) code ddcMD and the particle-in-cell (PIC) code BEPS to perform these simulations. As a starting point in our study, we examine the wake of a particle passing through a plasma in 3D electrostatic simulations performed with ddcMD and BEPS. In this paper, we compare the wakes observed in these simulations with each other and predictions from collisionless kinetic theory. The relevance of the work to Fast Ignition is discussed.

  6. Microsecond Simulations of DNA and Ion Transport in Nanopores with Novel Ion-Ion and Ion-Nucleotides Effective Potentials

    PubMed Central

    De Biase, Pablo M.; Markosyan, Suren; Noskov, Sergei

    2014-01-01

    We developed a novel scheme based on the Grand-Canonical Monte-Carlo/Brownian Dynamics (GCMC/BD) simulations and have extended it to studies of ion currents across three nanopores with the potential for ssDNA sequencing: solid-state nanopore Si3N4, α-hemolysin, and E111N/M113Y/K147N mutant. To describe nucleotide-specific ion dynamics compatible with ssDNA coarse-grained model, we used the Inverse Monte-Carlo protocol, which maps the relevant ion-nucleotide distribution functions from an all-atom MD simulations. Combined with the previously developed simulation platform for Brownian Dynamic (BD) simulations of ion transport, it allows for microsecond- and millisecond-long simulations of ssDNA dynamics in nanopore with a conductance computation accuracy that equals or exceeds that of all-atom MD simulations. In spite of the simplifications, the protocol produces results that agree with the results of previous studies on ion conductance across open channels and provide direct correlations with experimentally measured blockade currents and ion conductances that have been estimated from all-atom MD simulations. PMID:24738152

  7. Replicable Interprofessional Competency Outcomes from High-Volume, Inter-Institutional, Interprofessional Simulation

    PubMed Central

    Bambini, Deborah; Emery, Matthew; de Voest, Margaret; Meny, Lisa; Shoemaker, Michael J.

    2016-01-01

    There are significant limitations among the few prior studies that have examined the development and implementation of interprofessional education (IPE) experiences to accommodate a high volume of students from several disciplines and from different institutions. The present study addressed these gaps by seeking to determine the extent to which a single, large, inter-institutional, and IPE simulation event improves student perceptions of the importance and relevance of IPE and simulation as a learning modality, whether there is a difference in students’ perceptions among disciplines, and whether the results are reproducible. A total of 290 medical, nursing, pharmacy, and physical therapy students participated in one of two large, inter-institutional, IPE simulation events. Measurements included student perceptions about their simulation experience using the Attitude Towards Teamwork in Training Undergoing Designed Educational Simulation (ATTITUDES) Questionnaire and open-ended questions related to teamwork and communication. Results demonstrated a statistically significant improvement across all ATTITUDES subscales, while time management, role confusion, collaboration, and mutual support emerged as significant themes. Results of the present study indicate that a single IPE simulation event can reproducibly result in significant and educationally meaningful improvements in student perceptions towards teamwork, IPE, and simulation as a learning modality. PMID:28970407

  8. Medication errors room: a simulation to assess the medical, nursing and pharmacy staffs' ability to identify errors related to the medication-use system.

    PubMed

    Daupin, Johanne; Atkinson, Suzanne; Bédard, Pascal; Pelchat, Véronique; Lebel, Denis; Bussières, Jean-François

    2016-12-01

    The medication-use system in hospitals is very complex. To improve the health professionals' awareness of the risks of errors related to the medication-use system, a simulation of medication errors was created. The main objective was to assess the medical, nursing and pharmacy staffs' ability to identify errors related to the medication-use system using a simulation. The secondary objective was to assess their level of satisfaction. This descriptive cross-sectional study was conducted in a 500-bed mother-and-child university hospital. A multidisciplinary group set up 30 situations and replicated a patient room and a care unit pharmacy. All hospital staff, including nurses, physicians, pharmacists and pharmacy technicians, was invited. Participants had to detect if a situation contained an error and fill out a response grid. They also answered a satisfaction survey. The simulation was held during 100 hours. A total of 230 professionals visited the simulation, 207 handed in a response grid and 136 answered the satisfaction survey. The participants' overall rate of correct answers was 67.5% ± 13.3% (4073/6036). Among the least detected errors were situations involving a Y-site infusion incompatibility, an oral syringe preparation and the patient's identification. Participants mainly considered the simulation as effective in identifying incorrect practices (132/136, 97.8%) and relevant to their practice (129/136, 95.6%). Most of them (114/136; 84.4%) intended to change their practices in view of their exposure to the simulation. We implemented a realistic medication-use system errors simulation in a mother-child hospital, with a wide audience. This simulation was an effective, relevant and innovative tool to raise the health care professionals' awareness of critical processes. © 2016 John Wiley & Sons, Ltd.

  9. A systematic review of surgical skills transfer after simulation-based training: laparoscopic cholecystectomy and endoscopy.

    PubMed

    Dawe, Susan R; Windsor, John A; Broeders, Joris A J L; Cregan, Patrick C; Hewett, Peter J; Maddern, Guy J

    2014-02-01

    A systematic review to determine whether skills acquired through simulation-based training transfer to the operating room for the procedures of laparoscopic cholecystectomy and endoscopy. Simulation-based training assumes that skills are directly transferable to the operation room, but only a few studies have investigated the effect of simulation-based training on surgical performance. A systematic search strategy that was used in 2006 was updated to retrieve relevant studies. Inclusion of articles was determined using a predetermined protocol, independent assessment by 2 reviewers, and a final consensus decision. Seventeen randomized controlled trials and 3 nonrandomized comparative studies were included in this review. In most cases, simulation-based training was in addition to patient-based training programs. Only 2 studies directly compared simulation-based training in isolation with patient-based training. For laparoscopic cholecystectomy (n = 10 studies) and endoscopy (n = 10 studies), participants who reached simulation-based skills proficiency before undergoing patient-based assessment performed with higher global assessment scores and fewer errors in the operating room than their counterparts who did not receive simulation training. Not all parameters measured were improved. Two of the endoscopic studies compared simulation-based training in isolation with patient-based training with different results: for sigmoidoscopy, patient-based training was more effective, whereas for colonoscopy, simulation-based training was equally effective. Skills acquired by simulation-based training seem to be transferable to the operative setting for laparoscopic cholecystectomy and endoscopy. Future research will strengthen these conclusions by evaluating predetermined competency levels on the same simulators and using objective validated global rating scales to measure operative performance.

  10. Medical Scenarios Relevant to Spaceflight

    NASA Technical Reports Server (NTRS)

    Bacal, Kira; Hurs, Victor; Doerr, Harold

    2004-01-01

    The Medical Operational Support Team (MOST) was tasked by the JSC Space Medicine and Life Sciences Directorate (SLSD) to incorporate medical simulation into 1) medical training for astronaut-crew medical officers (CMO) and medical flight control teams and 2) evaluations of procedures and resources required for medical care aboard the International Space Station (ISS). Development of evidence-based medical scenarios that mimic the physiology observed during spaceflight will be needed for the MOST to complete these two tasks. The MOST used a human patient simulator, the ISS-like resources in the Medical Simulation Laboratory (MSL), and evidence from space operations, military operations and medical literature to develop space relevant medical scenarios. These scenarios include conditions concerning airway management, Advanced Cardiac Life Support (ACLS) and mitigating anaphylactic symptoms. The MOST has used these space relevant medical scenarios to develop a preliminary space medical training regimen for NASA flight surgeons, Biomedical Flight Controllers (Biomedical Engineers; BME) and CMO-analogs. This regimen is conducted by the MOST in the MSL. The MOST has the capability to develop evidence-based space-relevant medical scenarios that can help SLSD I) demonstrate the proficiency of medical flight control teams to mitigate space-relevant medical events and 2) validate nextgeneration medical equipment and procedures for space medicine applications.

  11. A Tissue Relevance and Meshing Method for Computing Patient-Specific Anatomical Models in Endoscopic Sinus Surgery Simulation

    NASA Astrophysics Data System (ADS)

    Audette, M. A.; Hertel, I.; Burgert, O.; Strauss, G.

    This paper presents on-going work on a method for determining which subvolumes of a patient-specific tissue map, extracted from CT data of the head, are relevant to simulating endoscopic sinus surgery of that individual, and for decomposing these relevant tissues into triangles and tetrahedra whose mesh size is well controlled. The overall goal is to limit the complexity of the real-time biomechanical interaction while ensuring the clinical relevance of the simulation. Relevant tissues are determined as the union of the pathology present in the patient, of critical tissues deemed to be near the intended surgical path or pathology, and of bone and soft tissue near the intended path, pathology or critical tissues. The processing of tissues, prior to meshing, is based on the Fast Marching method applied under various guises, in a conditional manner that is related to tissue classes. The meshing is based on an adaptation of a meshing method of ours, which combines the Marching Tetrahedra method and the discrete Simplex mesh surface model to produce a topologically faithful surface mesh with well controlled edge and face size as a first stage, and Almost-regular Tetrahedralization of the same prescribed mesh size as a last stage.

  12. What has finite element analysis taught us about diabetic foot disease and its management? A systematic review.

    PubMed

    Telfer, Scott; Erdemir, Ahmet; Woodburn, James; Cavanagh, Peter R

    2014-01-01

    Over the past two decades finite element (FE) analysis has become a popular tool for researchers seeking to simulate the biomechanics of the healthy and diabetic foot. The primary aims of these simulations have been to improve our understanding of the foot's complicated mechanical loading in health and disease and to inform interventions designed to prevent plantar ulceration, a major complication of diabetes. This article provides a systematic review and summary of the findings from FE analysis-based computational simulations of the diabetic foot. A systematic literature search was carried out and 31 relevant articles were identified covering three primary themes: methodological aspects relevant to modelling the diabetic foot; investigations of the pathomechanics of the diabetic foot; and simulation-based design of interventions to reduce ulceration risk. Methodological studies illustrated appropriate use of FE analysis for simulation of foot mechanics, incorporating nonlinear tissue mechanics, contact and rigid body movements. FE studies of pathomechanics have provided estimates of internal soft tissue stresses, and suggest that such stresses may often be considerably larger than those measured at the plantar surface and are proportionally greater in the diabetic foot compared to controls. FE analysis allowed evaluation of insole performance and development of new insole designs, footwear and corrective surgery to effectively provide intervention strategies. The technique also presents the opportunity to simulate the effect of changes associated with the diabetic foot on non-mechanical factors such as blood supply to local tissues. While significant advancement in diabetic foot research has been made possible by the use of FE analysis, translational utility of this powerful tool for routine clinical care at the patient level requires adoption of cost-effective (both in terms of labour and computation) and reliable approaches with clear clinical validity for decision making.

  13. Evaluation of Kirkwood-Buff integrals via finite size scaling: a large scale molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Dednam, W.; Botha, A. E.

    2015-01-01

    Solvation of bio-molecules in water is severely affected by the presence of co-solvent within the hydration shell of the solute structure. Furthermore, since solute molecules can range from small molecules, such as methane, to very large protein structures, it is imperative to understand the detailed structure-function relationship on the microscopic level. For example, it is useful know the conformational transitions that occur in protein structures. Although such an understanding can be obtained through large-scale molecular dynamic simulations, it is often the case that such simulations would require excessively large simulation times. In this context, Kirkwood-Buff theory, which connects the microscopic pair-wise molecular distributions to global thermodynamic properties, together with the recently developed technique, called finite size scaling, may provide a better method to reduce system sizes, and hence also the computational times. In this paper, we present molecular dynamics trial simulations of biologically relevant low-concentration solvents, solvated by aqueous co-solvent solutions. In particular we compare two different methods of calculating the relevant Kirkwood-Buff integrals. The first (traditional) method computes running integrals over the radial distribution functions, which must be obtained from large system-size NVT or NpT simulations. The second, newer method, employs finite size scaling to obtain the Kirkwood-Buff integrals directly by counting the particle number fluctuations in small, open sub-volumes embedded within a larger reservoir that can be well approximated by a much smaller simulation cell. In agreement with previous studies, which made a similar comparison for aqueous co-solvent solutions, without the additional solvent, we conclude that the finite size scaling method is also applicable to the present case, since it can produce computationally more efficient results which are equivalent to the more costly radial distribution function method.

  14. DISCOVER-AQ SJV Surface Measurements and Initial Comparisons with Photochemical Model Simulations

    EPA Science Inventory

    NASA’s DISCOVER-AQ (Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality) campaign studied the air quality throughout California’s San Joaquin Valley (SJV) during January and February of 2013. The SJV is a...

  15. Role of virtual reality simulation in endoscopy training

    PubMed Central

    Harpham-Lockyer, Louis; Laskaratos, Faidon-Marios; Berlingieri, Pasquale; Epstein, Owen

    2015-01-01

    Recent advancements in virtual reality graphics and models have allowed virtual reality simulators to be incorporated into a variety of endoscopic training programmes. Use of virtual reality simulators in training programmes is thought to improve skill acquisition amongst trainees which is reflected in improved patient comfort and safety. Several studies have already been carried out to ascertain the impact that usage of virtual reality simulators may have upon trainee learning curves and how this may translate to patient comfort. This article reviews the available literature in this area of medical education which is particularly relevant to all parties involved in endoscopy training and curriculum development. Assessment of the available evidence for an optimal exposure time with virtual reality simulators and the long-term benefits of their use are also discussed. PMID:26675895

  16. Role of virtual reality simulation in endoscopy training.

    PubMed

    Harpham-Lockyer, Louis; Laskaratos, Faidon-Marios; Berlingieri, Pasquale; Epstein, Owen

    2015-12-10

    Recent advancements in virtual reality graphics and models have allowed virtual reality simulators to be incorporated into a variety of endoscopic training programmes. Use of virtual reality simulators in training programmes is thought to improve skill acquisition amongst trainees which is reflected in improved patient comfort and safety. Several studies have already been carried out to ascertain the impact that usage of virtual reality simulators may have upon trainee learning curves and how this may translate to patient comfort. This article reviews the available literature in this area of medical education which is particularly relevant to all parties involved in endoscopy training and curriculum development. Assessment of the available evidence for an optimal exposure time with virtual reality simulators and the long-term benefits of their use are also discussed.

  17. Studying Spacecraft Charging via Numerical Simulations

    NASA Astrophysics Data System (ADS)

    Delzanno, G. L.; Moulton, D.; Meierbachtol, C.; Svyatskiy, D.; Vernon, L.

    2015-12-01

    The electrical charging of spacecraft due to bombarding charged particles can affect their performance and operation. We study this charging using CPIC; a particle-in-cell code specifically designed for studying plasma-material interactions [1]. CPIC is based on multi-block curvilinear meshes, resulting in near-optimal computational performance while maintaining geometric accuracy. Relevant plasma parameters are imported from the SHIELDS framework (currently under development at LANL), which simulates geomagnetic storms and substorms in the Earth's magnetosphere. Simulated spacecraft charging results of representative Van Allen Probe geometries using these plasma parameters will be presented, along with an overview of the code. [1] G.L. Delzanno, E. Camporeale, J.D. Moulton, J.E. Borovsky, E.A. MacDonald, and M.F. Thomsen, "CPIC: A Curvilinear Particle-In-Cell Code for Plasma-Material Interaction Studies," IEEE Trans. Plas. Sci., 41 (12), 3577 (2013).

  18. Integrative metabolomics for characterizing unknown low-abundance metabolites by capillary electrophoresis-mass spectrometry with computer simulations.

    PubMed

    Lee, Richard; Ptolemy, Adam S; Niewczas, Liliana; Britz-McKibbin, Philip

    2007-01-15

    Characterization of unknown low-abundance metabolites in biological samples is one the most significant challenges in metabolomic research. In this report, an integrative strategy based on capillary electrophoresis-electrospray ionization-ion trap mass spectrometry (CE-ESI-ITMS) with computer simulations is examined as a multiplexed approach for studying the selective nutrient uptake behavior of E. coli within a complex broth medium. On-line sample preconcentration with desalting by CE-ESI-ITMS was performed directly without off-line sample pretreatment in order to improve detector sensitivity over 50-fold for cationic metabolites with nanomolar detection limits. The migration behavior of charged metabolites were also modeled in CE as a qualitative tool to support MS characterization based on two fundamental analyte physicochemical properties, namely, absolute mobility (muo) and acid dissociation constant (pKa). Computer simulations using Simul 5.0 were used to better understand the dynamics of analyte electromigration, as well as aiding de novo identification of unknown nutrients. There was excellent agreement between computer-simulated and experimental electropherograms for several classes of cationic metabolites as reflected by their relative migration times with an average error of <2.0%. Our studies revealed differential uptake of specific amino acids and nucleoside nutrients associated with distinct stages of bacterial growth. Herein, we demonstrate that CE can serve as an effective preconcentrator, desalter, and separator prior to ESI-MS, while providing additional qualitative information for unambiguous identification among isobaric and isomeric metabolites. The proposed strategy is particularly relevant for characterizing unknown yet biologically relevant metabolites that are not readily synthesized or commercially available.

  19. Free-Surface and Contact Line Motion of Liquid in Microgravity

    NASA Technical Reports Server (NTRS)

    Schwartz, Leonard W.

    1996-01-01

    This project involves fundamental studies of the role of nonlinearity in determining the motion of liquid masses under the principal influences of surface tension, viscosity and inertia. Issues to be explored are relevant to aspects of terrestrial processes, as well as being immediately applicable to fluid management in a low-gravity environment. Specific issues include: (1) the mechanic's of liquid masses in large-amplitude motions, (2) the influence of bounding surfaces on the motion, and (3) the ability of such surfaces to control liquid motion by wetting forces, especially when they are augmented by various surface treatments. Mathematical techniques include asymptotic analysis of the governing equations, for problem simplification, and numerical simulation, using both boundary-element and finite-difference methods. The flow problem is divided into an 'outer' or inviscid potential-flow region and one or more inner, or viscous dominated, regions. Relevant to one inner region, the vicinity of the contact line, we discuss time-dependent simulation of slow droplet motion, on a surface of variable wettability, using the lubrication approximation. The simulation uses a disjoining pressure model and reproduces realistic wetting-dewetting behavior.

  20. The Design and the Formative Evaluation of a Web-Based Course for Simulation Analysis Experiences

    ERIC Educational Resources Information Center

    Tao, Yu-Hui; Guo, Shin-Ming; Lu, Ya-Hui

    2006-01-01

    Simulation output analysis has received little attention comparing to modeling and programming in real-world simulation applications. This is further evidenced by our observation that students and beginners acquire neither adequate details of knowledge nor relevant experience of simulation output analysis in traditional classroom learning. With…

  1. On-Line Role-Play as a Teaching Method in Engineering Studies

    ERIC Educational Resources Information Center

    Cobo, Adolfo; Conde, Olga Ma.; Quintela, Ma. Ángeles; Mirapéix, Jesús Ma.; López-Higuera, José Miguel

    2011-01-01

    In this paper we propose adapting role-play teaching methodology to engineering studies. The role of a maintenance technician, a relevant job profile for engineering graduates is has chosen. The interaction is based on email exchange, with the instructor included in the simulation to help guide the activity and achieve learning objectives. In this…

  2. Contextualizing the relevance of basic sciences: small-group simulation with debrief for first- and second-year medical students in an integrated curriculum.

    PubMed

    Ginzburg, Samara B; Brenner, Judith; Cassara, Michael; Kwiatkowski, Thomas; Willey, Joanne M

    2017-01-01

    There has been a call for increased integration of basic and clinical sciences during preclinical years of undergraduate medical education. Despite the recognition that clinical simulation is an effective pedagogical tool, little has been reported on its use to demonstrate the relevance of basic science principles to the practice of clinical medicine. We hypothesized that simulation with an integrated science and clinical debrief used with early learners would illustrate the importance of basic science principles in clinical diagnosis and management of patients. Small groups of first- and second-year medical students were engaged in a high-fidelity simulation followed by a comprehensive debrief facilitated by a basic scientist and clinician. Surveys including anchored and open-ended questions were distributed at the conclusion of each experience. The majority of the students agreed that simulation followed by an integrated debrief illustrated the clinical relevance of basic sciences (mean ± standard deviation: 93.8% ± 2.9% of first-year medical students; 96.7% ± 3.5% of second-year medical students) and its importance in patient care (92.8% of first-year medical students; 90.4% of second-year medical students). In a thematic analysis of open-ended responses, students felt that these experiences provided opportunities for direct application of scientific knowledge to diagnosis and treatment, improving student knowledge, simulating real-world experience, and developing clinical reasoning, all of which specifically helped them understand the clinical relevance of basic sciences. Small-group simulation followed by a debrief that integrates basic and clinical sciences is an effective means of demonstrating the relationship between scientific fundamentals and patient care for early learners. As more medical schools embrace integrated curricula and seek opportunities for integration, our model is a novel approach that can be utilized.

  3. Preparation of Chemical Samples On Relevant Surfaces Using Inkjet Technology

    DTIC Science & Technology

    2013-04-01

    PREPARATION OF CHEMICAL SAMPLES ON RELEVANT SURFACES USING INKJET TECHNOLOGY...2012 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Preparation of Chemical Samples on Relevant Surfaces Using Inkjet Technology 5b. GRANT NUMBER...SUBJECT TERMS Surface detection Inkjet Simulant deposition 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT 18. NUMBER OF

  4. Simulating the Global Workplace for Graduate Employability

    ERIC Educational Resources Information Center

    Schech, Susanne; Kelton, Maryanne; Carati, Colin; Kingsmill, Verity

    2017-01-01

    Higher education institutions increasingly recognise the need to develop both disciplinary knowledge and soft skills to foster the employability of their graduates. For students in International Studies programmes, the workplace opportunities to develop soft skills relevant to their intended professions are scarce, costly and unavailable to many.…

  5. Stream mesocosm response sensitivities to simulated ion stress in produced waters from resource extraction activities

    EPA Science Inventory

    To increase the ecological relevance of laboratory exposures intent on determining species sensitivity to ion stress from resource extraction activities we have conducted several stream mesocosm dosing studies that pair single-species and community-level responses in-situ and all...

  6. A systems analysis of the erythropoietic responses to weightlessness. Volume 1: Mathematical model simulations of the erythropoietic responses to weightlessness

    NASA Technical Reports Server (NTRS)

    Leonard, J. I.

    1985-01-01

    Theoretical responses to weightlessness are summarized. The studies include development and validation of a model of erythropoiesis regulation, analysis of the behavior of erythropoiesis under a variety of conditions, simulations of bed rest and space flight, and an evaluation of ground-based animal studies which were conducted as analogs of zero-g. A review of all relevant space flight findings and a set of testable hypotheses which attempt to explain how red cell mass decreases in space flight are presented. An additional document describes details of the mathematical model used in these studies.

  7. Lunar Polar Environmental Testing: Regolith Simulant Conditioning

    NASA Technical Reports Server (NTRS)

    Kleinhenz, Julie

    2014-01-01

    As ISRU system development approaches flight fidelity, there is a need to test hardware in relevant environments. Extensive laboratory and field testing have involved relevant soil (lunar regolith simulants), but the current design iterations necessitate relevant pressure and temperature conditions. Including significant quantities of lunar regolith simulant in a thermal vacuum chamber poses unique challenges. These include facility operational challenges (dust tolerant hardware) and difficulty maintaining a pre-prepared soil state during pump down (consolidation state, moisture retention).For ISRU purposes, the regolith at the lunar poles will be of most interest due to the elevated water content. To test at polar conditions, the regolith simulant must be doped with water to an appropriate percentage and then chilled to cryogenic temperatures while exposed to vacuum conditions. A 1m tall, 28cm diameter bin of simulant was developed for testing these simulant preparation and drilling operations. The bin itself was wrapped with liquid nitrogen cooling loops (100K) so that the simulant bed reached an average temperature of 140K at vacuum. Post-test sampling was used to determine desiccation of the bed due to vacuum exposure. Depth dependent moisture data is presented from frozen and thawed soil samples.Following simulant only evacuation tests, drill hardware was incorporated into the vacuum chamber to test auguring techniques in the frozen soil at thermal vacuum conditions. The focus of this testing was to produce cuttings piles for a newly developed spectrometer to evaluate. This instrument, which is part of the RESOLVE program science hardware, detects water signatures from surface regolith. The drill performance, behavior of simulant during drilling, and characteristics of the cuttings piles will be offered.

  8. Surgical stent planning: simulation parameter study for models based on DICOM standards.

    PubMed

    Scherer, S; Treichel, T; Ritter, N; Triebel, G; Drossel, W G; Burgert, O

    2011-05-01

    Endovascular Aneurysm Repair (EVAR) can be facilitated by a realistic simulation model of stent-vessel-interaction. Therefore, numerical feasibility and integrability in the clinical environment was evaluated. The finite element method was used to determine necessary simulation parameters for stent-vessel-interaction in EVAR. Input variables and result data of the simulation model were examined for their standardization using DICOM supplements. The study identified four essential parameters for the stent-vessel simulation: blood pressure, intima constitution, plaque occurrence and the material properties of vessel and plaque. Output quantities such as radial force of the stent and contact pressure between stent/vessel can help the surgeon to evaluate implant fixation and sealing. The model geometry can be saved with DICOM "Surface Segmentation" objects and the upcoming "Implant Templates" supplement. Simulation results can be stored using the "Structured Report". A standards-based general simulation model for optimizing stent-graft selection may be feasible. At present, there are limitations due to specification of individual vessel material parameters and for simulating the proximal fixation of stent-grafts with hooks. Simulation data with clinical relevance for documentation and presentation can be stored using existing or new DICOM extensions.

  9. Simulation of plume dynamics by the Lattice Boltzmann Method

    NASA Astrophysics Data System (ADS)

    Mora, Peter; Yuen, David A.

    2017-09-01

    The Lattice Boltzmann Method (LBM) is a semi-microscopic method to simulate fluid mechanics by modelling distributions of particles moving and colliding on a lattice. We present 2-D simulations using the LBM of a fluid in a rectangular box being heated from below, and cooled from above, with a Rayleigh of Ra = 108, similar to current estimates of the Earth's mantle, and a Prandtl number of 5000. At this Prandtl number, the flow is found to be in the non-inertial regime where the inertial terms denoted I ≪ 1. Hence, the simulations presented lie within the regime of relevance for geodynamical problems. We obtain narrow upwelling plumes with mushroom heads and chutes of downwelling fluid as expected of a flow in the non-inertial regime. The method developed demonstrates that the LBM has great potential for simulating thermal convection and plume dynamics relevant to geodynamics, albeit with some limitations.

  10. Challenges Facing 3-D Audio Display Design for Multimedia

    NASA Technical Reports Server (NTRS)

    Begault, Durand R.; Null, Cynthia H. (Technical Monitor)

    1998-01-01

    The challenges facing successful multimedia presentation depend largely on the expectations of the designer and end user for a given application. Perceptual limitations in distance, elevation and azimuth sound source simulation differ significantly between headphone and cross-talk cancellation loudspeaker listening and therefore must be considered. Simulation of an environmental context is desirable but the quality depends on processing resources and lack of interaction with the host acoustical environment. While techniques such as data reduction of head-related transfer functions have been used widely to improve simulation fidelity, another approach involves determining thresholds for environmental acoustic events. Psychoacoustic studies relevant to this approach are reviewed in consideration of multimedia applications

  11. Impact of physical permafrost processes on hydrological change

    NASA Astrophysics Data System (ADS)

    Hagemann, Stefan; Blome, Tanja; Beer, Christian; Ekici, Altug

    2015-04-01

    Permafrost or perennially frozen ground is an important part of the terrestrial cryosphere; roughly one quarter of Earth's land surface is underlain by permafrost. As it is a thermal phenomenon, its characteristics are highly dependent on climatic factors. The impact of the currently observed warming, which is projected to persist during the coming decades due to anthropogenic CO2 input, certainly has effects for the vast permafrost areas of the high northern latitudes. The quantification of these effects, however, is scientifically still an open question. This is partly due to the complexity of the system, where several feedbacks are interacting between land and atmosphere, sometimes counterbalancing each other. Moreover, until recently, many global circulation models (GCMs) and Earth system models (ESMs) lacked the sufficient representation of permafrost physics in their land surface schemes. Within the European Union FP7 project PAGE21, the land surface scheme JSBACH of the Max-Planck-Institute for Meteorology ESM (MPI-ESM) has been equipped with the representation of relevant physical processes for permafrost studies. These processes include the effects of freezing and thawing of soil water for both energy and water cycles, thermal properties depending on soil water and ice contents, and soil moisture movement being influenced by the presence of soil ice. In the present study, it will be analysed how these permafrost relevant processes impact projected hydrological changes over northern hemisphere high latitude land areas. For this analysis, the atmosphere-land part of MPI-ESM, ECHAM6-JSBACH, is driven by prescribed SST and sea ice in an AMIP2-type setup with and without the newly implemented permafrost processes. Observed SST and sea ice for 1979-1999 are used to consider induced changes in the simulated hydrological cycle. In addition, simulated SST and sea ice are taken from a MPI-ESM simulation conducted for CMIP5 following the RCP8.5 scenario. The corresponding simulations with ECHAM6-JSBACH are used to assess differences in projected hydrological changes induced by the permafrost relevant processes.

  12. From individual to population level effects of toxicants in the tubicifid Branchiura sowerbyi using threshold effect models in a Bayesian framework.

    PubMed

    Ducrot, Virginie; Billoir, Elise; Péry, Alexandre R R; Garric, Jeanne; Charles, Sandrine

    2010-05-01

    Effects of zinc were studied in the freshwater worm Branchiura sowerbyi using partial and full life-cycle tests. Only newborn and juveniles were sensitive to zinc, displaying effects on survival, growth, and age at first brood at environmentally relevant concentrations. Threshold effect models were proposed to assess toxic effects on individuals. They were fitted to life-cycle test data using Bayesian inference and adequately described life-history trait data in exposed organisms. The daily asymptotic growth rate of theoretical populations was then simulated with a matrix population model, based upon individual-level outputs. Population-level outputs were in accordance with existing literature for controls. Working in a Bayesian framework allowed incorporating parameter uncertainty in the simulation of the population-level response to zinc exposure, thus increasing the relevance of test results in the context of ecological risk assessment.

  13. Configurational entropy measurements in extremely supercooled liquids that break the glass ceiling.

    PubMed

    Berthier, Ludovic; Charbonneau, Patrick; Coslovich, Daniele; Ninarello, Andrea; Ozawa, Misaki; Yaida, Sho

    2017-10-24

    Liquids relax extremely slowly on approaching the glass state. One explanation is that an entropy crisis, because of the rarefaction of available states, makes it increasingly arduous to reach equilibrium in that regime. Validating this scenario is challenging, because experiments offer limited resolution, while numerical studies lag more than eight orders of magnitude behind experimentally relevant timescales. In this work, we not only close the colossal gap between experiments and simulations but manage to create in silico configurations that have no experimental analog yet. Deploying a range of computational tools, we obtain four estimates of their configurational entropy. These measurements consistently confirm that the steep entropy decrease observed in experiments is also found in simulations, even beyond the experimental glass transition. Our numerical results thus extend the observational window into the physics of glasses and reinforce the relevance of an entropy crisis for understanding their formation. Published under the PNAS license.

  14. Breaking the glass ceiling: Configurational entropy measurements in extremely supercooled liquids

    NASA Astrophysics Data System (ADS)

    Berthier, Ludovic

    Liquids relax extremely slowly on approaching the glass state. One explanation is that an entropy crisis, due to the rarefaction of available states, makes it increasingly arduous to reach equilibrium in that regime. Validating this scenario is challenging, because experiments offer limited resolution, while numerical studies lag more than eight orders of magnitude behind experimentally-relevant timescales. In this work we not only close the colossal gap between experiments and simulations but manage to create in-silico configurations that have no experimental analog yet. Deploying a range of computational tools, we obtain four independent estimates of their configurational entropy. These measurements consistently indicate that the steep entropy decrease observed in experiments is found in simulations even beyond the experimental glass transition. Our numerical results thus open a new observational window into the physics of glasses and reinforce the relevance of an entropy crisis for understanding their formation.

  15. Configurational entropy measurements in extremely supercooled liquids that break the glass ceiling

    PubMed Central

    Berthier, Ludovic; Charbonneau, Patrick; Coslovich, Daniele; Ninarello, Andrea; Ozawa, Misaki

    2017-01-01

    Liquids relax extremely slowly on approaching the glass state. One explanation is that an entropy crisis, because of the rarefaction of available states, makes it increasingly arduous to reach equilibrium in that regime. Validating this scenario is challenging, because experiments offer limited resolution, while numerical studies lag more than eight orders of magnitude behind experimentally relevant timescales. In this work, we not only close the colossal gap between experiments and simulations but manage to create in silico configurations that have no experimental analog yet. Deploying a range of computational tools, we obtain four estimates of their configurational entropy. These measurements consistently confirm that the steep entropy decrease observed in experiments is also found in simulations, even beyond the experimental glass transition. Our numerical results thus extend the observational window into the physics of glasses and reinforce the relevance of an entropy crisis for understanding their formation. PMID:29073056

  16. Configurational entropy measurements in extremely supercooled liquids that break the glass ceiling

    NASA Astrophysics Data System (ADS)

    Berthier, Ludovic; Charbonneau, Patrick; Coslovich, Daniele; Ninarello, Andrea; Ozawa, Misaki; Yaida, Sho

    2017-10-01

    Liquids relax extremely slowly on approaching the glass state. One explanation is that an entropy crisis, because of the rarefaction of available states, makes it increasingly arduous to reach equilibrium in that regime. Validating this scenario is challenging, because experiments offer limited resolution, while numerical studies lag more than eight orders of magnitude behind experimentally relevant timescales. In this work, we not only close the colossal gap between experiments and simulations but manage to create in silico configurations that have no experimental analog yet. Deploying a range of computational tools, we obtain four estimates of their configurational entropy. These measurements consistently confirm that the steep entropy decrease observed in experiments is also found in simulations, even beyond the experimental glass transition. Our numerical results thus extend the observational window into the physics of glasses and reinforce the relevance of an entropy crisis for understanding their formation.

  17. Controlling Laser Plasma Instabilities Using Temporal Bandwidths Under Shock Ignition Relevant Conditions

    NASA Astrophysics Data System (ADS)

    Tsung, Frank; Weaver, J.; Lehmberg, R.

    2017-10-01

    We are performing particle-in-cell simulations using the code OSIRIS to study the effects of laser plasma interactions in the presence of temporal bandwidth under plasma conditions relevant to experiments on the Nike laser with induced spatial incoherence (ISI). With ISI, the instantaneous laser intensity can be 3-4 times larger than the average intensity, leading to the excitation of additional TPD modes and producing electrons with larger angular spread. In our simulations, we observe that although ISI can increase the interaction regions for short bursts of time, time-averaged (over many pico-seconds) laser plasma interactions can be reduced by a factor of 2 in systems with sufficiently large bandwidths (where the inverse bandwidth is comparable with the linear growth time). We will quantify these effects and investigate higher dimensional effects such as laser speckles and the effects of Coulomb collisions. Work supported by NRL, NNSA, and NSF.

  18. Does virtual reality simulation have a role in training trauma and orthopaedic surgeons?

    PubMed

    Bartlett, J D; Lawrence, J E; Stewart, M E; Nakano, N; Khanduja, V

    2018-05-01

    Aims The aim of this study was to assess the current evidence relating to the benefits of virtual reality (VR) simulation in orthopaedic surgical training, and to identify areas of future research. Materials and Methods A literature search using the MEDLINE, Embase, and Google Scholar databases was performed. The results' titles, abstracts, and references were examined for relevance. Results A total of 31 articles published between 2004 and 2016 and relating to the objective validity and efficacy of specific virtual reality orthopaedic surgical simulators were identified. We found 18 studies demonstrating the construct validity of 16 different orthopaedic virtual reality simulators by comparing expert and novice performance. Eight studies have demonstrated skill acquisition on a simulator by showing improvements in performance with repeated use. A further five studies have demonstrated measurable improvements in operating theatre performance following a period of virtual reality simulator training. Conclusion The demonstration of 'real-world' benefits from the use of VR simulation in knee and shoulder arthroscopy is promising. However, evidence supporting its utility in other forms of orthopaedic surgery is lacking. Further studies of validity and utility should be combined with robust analyses of the cost efficiency of validated simulators to justify the financial investment required for their use in orthopaedic training. Cite this article: Bone Joint J 2018;100-B:559-65.

  19. Influence of hip joint simulator design and mechanics on the wear and creep of metal-on-polyethylene bearings

    PubMed Central

    Ali, Murat; Al-Hajjar, Mazen; Partridge, Susan; Williams, Sophie; Fisher, John; Jennings, Louise M

    2016-01-01

    Hip joint simulators are used extensively for preclinical testing of hip replacements. The variation in simulator design and test conditions used worldwide can affect the tribological performance of polyethylene. The aim of this study was to assess the effects of simulator mechanics and design on the wear and creep of ultra-high-molecular-weight polyethylene. In the first part of this study, an electromechanical simulator and pneumatic simulator were used to compare the wear and creep of metal-on-polyethylene components under the same standard gait conditions. In the second part of the study, the same electromechanical hip joint simulator was used to investigate the influence of kinematics on wear. Higher wear rates and penetration depths were observed from the electromechanical simulator compared with the pneumatic simulator. When adduction/abduction was introduced to the gait cycle, there was no significant difference in wear with that obtained under the gait cycle condition without adduction/abduction. This study confirmed the influence of hip simulator design and loading conditions on the wear of polyethylene, and therefore direct comparisons of absolute wear rates between different hip joint simulators should be avoided. This study also confirmed that the resulting wear path was the governing factor in obtaining clinically relevant wear rates, and this can be achieved with either two axes or three axes of rotations. However, three axes of rotation (with the inclusion of adduction/abduction) more closely replicate clinical conditions and should therefore be the design approach for newly developed hip joint simulators used for preclinical testing. PMID:27160559

  20. Influence of hip joint simulator design and mechanics on the wear and creep of metal-on-polyethylene bearings.

    PubMed

    Ali, Murat; Al-Hajjar, Mazen; Partridge, Susan; Williams, Sophie; Fisher, John; Jennings, Louise M

    2016-05-01

    Hip joint simulators are used extensively for preclinical testing of hip replacements. The variation in simulator design and test conditions used worldwide can affect the tribological performance of polyethylene. The aim of this study was to assess the effects of simulator mechanics and design on the wear and creep of ultra-high-molecular-weight polyethylene. In the first part of this study, an electromechanical simulator and pneumatic simulator were used to compare the wear and creep of metal-on-polyethylene components under the same standard gait conditions. In the second part of the study, the same electromechanical hip joint simulator was used to investigate the influence of kinematics on wear. Higher wear rates and penetration depths were observed from the electromechanical simulator compared with the pneumatic simulator. When adduction/abduction was introduced to the gait cycle, there was no significant difference in wear with that obtained under the gait cycle condition without adduction/abduction. This study confirmed the influence of hip simulator design and loading conditions on the wear of polyethylene, and therefore direct comparisons of absolute wear rates between different hip joint simulators should be avoided. This study also confirmed that the resulting wear path was the governing factor in obtaining clinically relevant wear rates, and this can be achieved with either two axes or three axes of rotations. However, three axes of rotation (with the inclusion of adduction/abduction) more closely replicate clinical conditions and should therefore be the design approach for newly developed hip joint simulators used for preclinical testing. © IMechE 2016.

  1. Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.

    PubMed

    Spiwok, Vojtěch; Králová, Blanka

    2011-12-14

    Atomic motions in molecules are not linear. This infers that nonlinear dimensionality reduction methods can outperform linear ones in analysis of collective atomic motions. In addition, nonlinear collective motions can be used as potentially efficient guides for biased simulation techniques. Here we present a simulation with a bias potential acting in the directions of collective motions determined by a nonlinear dimensionality reduction method. Ad hoc generated conformations of trans,trans-1,2,4-trifluorocyclooctane were analyzed by Isomap method to map these 72-dimensional coordinates to three dimensions, as described by Brown and co-workers [J. Chem. Phys. 129, 064118 (2008)]. Metadynamics employing the three-dimensional embeddings as collective variables was applied to explore all relevant conformations of the studied system and to calculate its conformational free energy surface. The method sampled all relevant conformations (boat, boat-chair, and crown) and corresponding transition structures inaccessible by an unbiased simulation. This scheme allows to use essentially any parameter of the system as a collective variable in biased simulations. Moreover, the scheme we used for mapping out-of-sample conformations from the 72D to 3D space can be used as a general purpose mapping for dimensionality reduction, beyond the context of molecular modeling. © 2011 American Institute of Physics

  2. The Effects of Seductive Details in an Inflatable Planetarium

    ERIC Educational Resources Information Center

    Gillette, Sean

    2013-01-01

    Astronomy is becoming a forgotten science, which is evident by its relatively low enrollment figures compared to biology, chemistry, and physics. A portable inflatable planetarium brings relevance back to astronomy and offers support to students and educators by simulating realistic astronomical environments. This study sought to determine if…

  3. Introduction to an Excerpt from "Tail Tigerswallow and the Great Tobacco War."

    ERIC Educational Resources Information Center

    Hoffman, Arthur L.

    1989-01-01

    Includes an excerpt from "Tail Tigerswallow and the Great Tobacco War." Suggests using a similar story to design a social studies lesson to help students ask relevant social issue questions. Employs role playing, simulation, debate, and writing letters to editors in the lesson plans. (NL)

  4. Decompression scenarios in a new underground transportation system.

    PubMed

    Vernez, D

    2000-10-01

    The risks of a public exposure to a sudden decompression, until now, have been related to civil aviation and, at a lesser extent, to diving activities. However, engineers are currently planning the use of low pressure environments for underground transportation. This method has been proposed for the future Swissmetro, a high-speed underground train designed for inter-urban linking in Switzerland. The use of a low pressure environment in an underground public transportation system must be considered carefully regarding the decompression risks. Indeed, due to the enclosed environment, both decompression kinetics and safety measures may differ from aviation decompression cases. A theoretical study of decompression risks has been conducted at an early stage of the Swissmetro project. A three-compartment theoretical model, based on the physics of fluids, has been implemented with flow processing software (Ithink 5.0). Simulations have been conducted in order to analyze "decompression scenarios" for a wide range of parameters, relevant in the context of the Swissmetro main study. Simulation results cover a wide range from slow to explosive decompression, depending on the simulation parameters. Not surprisingly, the leaking orifice area has a tremendous impact on barotraumatic effects, while the tunnel pressure may significantly affect both hypoxic and barotraumatic effects. Calculations have also shown that reducing the free space around the vehicle may mitigate significantly an accidental decompression. Numeric simulations are relevant to assess decompression risks in the future Swissmetro system. The decompression model has proven to be useful in assisting both design choices and safety management.

  5. Musculoskeletal changes in mice from 20-50 cGy of simulated galactic cosmic rays.

    PubMed

    Bandstra, Eric R; Thompson, Raymond W; Nelson, Gregory A; Willey, Jeffrey S; Judex, Stefan; Cairns, Mark A; Benton, Eric R; Vazquez, Marcelo E; Carson, James A; Bateman, Ted A

    2009-07-01

    On a mission to Mars, astronauts will be exposed to a complex mix of radiation from galactic cosmic rays. We have demonstrated a loss of bone mass from exposure to types of radiation relevant to space flight at doses of 1 and 2 Gy. The effects of space radiation on skeletal muscle, however, have not been investigated. To evaluate the effect of simulated galactic cosmic radiation on muscle fiber area and bone volume, we examined mice from a study in which brains were exposed to collimated iron-ion radiation. The collimator transmitted a complex mix of charged secondary particles to bone and muscle tissue that represented a low-fidelity simulation of the space radiation environment. Measured radiation doses of uncollimated secondary particles were 0.47 Gy at the proximal humerus, 0.24-0.31 Gy at the midbelly of the triceps brachii, and 0.18 Gy at the proximal tibia. Compared to nonirradiated controls, the proximal humerus of irradiated mice had a lower trabecular bone volume fraction, lower trabecular thickness, greater cortical porosity, and lower polar moment of inertia. The tibia showed no differences in any bone parameter. The triceps brachii of irradiated mice had fewer small-diameter fibers and more fibers containing central nuclei. These results demonstrate a negative effect on the skeletal muscle and bone systems of simulated galactic cosmic rays at a dose and LET range relevant to a Mars exploration mission. The presence of evidence of muscle remodeling highlights the need for further study.

  6. Simulated Patients in Physical Therapy Education: Systematic Review and Meta-Analysis.

    PubMed

    Pritchard, Shane A; Blackstock, Felicity C; Nestel, Debra; Keating, Jenny L

    2016-09-01

    Traditional models of physical therapy clinical education are experiencing unprecedented pressures. Simulation-based education with simulated (standardized) patients (SPs) is one alternative that has significant potential value, and implementation is increasing globally. However, no review evaluating the effects of SPs on professional (entry-level) physical therapy education is available. The purpose of this study was to synthesize and critically appraise the findings of empirical studies evaluating the contribution of SPs to entry-level physical therapy education, compared with no SP interaction or an alternative education strategy, on any outcome relevant to learning. A systematic search was conducted of Ovid MEDLINE, PubMed, AMED, ERIC, and CINAHL Plus databases and reference lists of included articles, relevant reviews, and gray literature up to May 2015. Articles reporting quantitative or qualitative data evaluating the contribution of SPs to entry-level physical therapy education were included. Two reviewers independently extracted study characteristics, intervention details, and quantitative and qualitative evaluation data from the 14 articles that met the eligibility criteria. Pooled random-effects meta-analysis indicated that replacing up to 25% of authentic patient-based physical therapist practice with SP-based education results in comparable competency (mean difference=1.55/100; 95% confidence interval=-1.08, 4.18; P=.25). Thematic analysis of qualitative data indicated that students value learning with SPs. Assumptions were made to enable pooling of data, and the search strategy was limited to English. Simulated patients appear to have an effect comparable to that of alternative educational strategies on development of physical therapy clinical practice competencies and serve a valuable role in entry-level physical therapy education. However, available research lacks the rigor required for confidence in findings. Given the potential advantages for students, high-quality studies that include an economic analysis should be conducted. © 2016 American Physical Therapy Association.

  7. Manufactured solutions for the three-dimensional Euler equations with relevance to Inertial Confinement Fusion

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Waltz, J., E-mail: jwaltz@lanl.gov; Canfield, T.R.; Morgan, N.R.

    2014-06-15

    We present a set of manufactured solutions for the three-dimensional (3D) Euler equations. The purpose of these solutions is to allow for code verification against true 3D flows with physical relevance, as opposed to 3D simulations of lower-dimensional problems or manufactured solutions that lack physical relevance. Of particular interest are solutions with relevance to Inertial Confinement Fusion (ICF) capsules. While ICF capsules are designed for spherical symmetry, they are hypothesized to become highly 3D at late time due to phenomena such as Rayleigh–Taylor instability, drive asymmetry, and vortex decay. ICF capsules also involve highly nonlinear coupling between the fluid dynamicsmore » and other physics, such as radiation transport and thermonuclear fusion. The manufactured solutions we present are specifically designed to test the terms and couplings in the Euler equations that are relevant to these phenomena. Example numerical results generated with a 3D Finite Element hydrodynamics code are presented, including mesh convergence studies.« less

  8. Condition Based Maintenance Technology Impact Study: Assessment Methods, Study Design and Interim Results

    DTIC Science & Technology

    2014-07-01

    Unified Theory of Acceptance and Use of Technology, Structuration Model of Technology, UNCLASSIFIED DSTO-TR-2992 UNCLASSIFIED 5 Adaptive...Structuration Theory , Model of Mutual Adaptation, Model of Technology Appropriation, Diffusion/Implementation Model, and Tri-core Model, among others [11...simulation gaming essay/scenario writing genius forecasting role play/acting backcasting swot brainstorming relevance tree/logic chart scenario workshop

  9. Can one trust quantum simulators?

    PubMed

    Hauke, Philipp; Cucchietti, Fernando M; Tagliacozzo, Luca; Deutsch, Ivan; Lewenstein, Maciej

    2012-08-01

    Various fundamental phenomena of strongly correlated quantum systems such as high-T(c) superconductivity, the fractional quantum-Hall effect and quark confinement are still awaiting a universally accepted explanation. The main obstacle is the computational complexity of solving even the most simplified theoretical models which are designed to capture the relevant quantum correlations of the many-body system of interest. In his seminal 1982 paper (Feynman 1982 Int. J. Theor. Phys. 21 467), Richard Feynman suggested that such models might be solved by 'simulation' with a new type of computer whose constituent parts are effectively governed by a desired quantum many-body dynamics. Measurements on this engineered machine, now known as a 'quantum simulator,' would reveal some unknown or difficult to compute properties of a model of interest. We argue that a useful quantum simulator must satisfy four conditions: relevance, controllability, reliability and efficiency. We review the current state of the art of digital and analog quantum simulators. Whereas so far the majority of the focus, both theoretically and experimentally, has been on controllability of relevant models, we emphasize here the need for a careful analysis of reliability and efficiency in the presence of imperfections. We discuss how disorder and noise can impact these conditions, and illustrate our concerns with novel numerical simulations of a paradigmatic example: a disordered quantum spin chain governed by the Ising model in a transverse magnetic field. We find that disorder can decrease the reliability of an analog quantum simulator of this model, although large errors in local observables are introduced only for strong levels of disorder. We conclude that the answer to the question 'Can we trust quantum simulators?' is … to some extent.

  10. Towards Quantum Simulation with Circular Rydberg Atoms

    NASA Astrophysics Data System (ADS)

    Nguyen, T. L.; Raimond, J. M.; Sayrin, C.; Cortiñas, R.; Cantat-Moltrecht, T.; Assemat, F.; Dotsenko, I.; Gleyzes, S.; Haroche, S.; Roux, G.; Jolicoeur, Th.; Brune, M.

    2018-01-01

    The main objective of quantum simulation is an in-depth understanding of many-body physics, which is important for fundamental issues (quantum phase transitions, transport, …) and for the development of innovative materials. Analytic approaches to many-body systems are limited, and the huge size of their Hilbert space makes numerical simulations on classical computers intractable. A quantum simulator avoids these limitations by transcribing the system of interest into another, with the same dynamics but with interaction parameters under control and with experimental access to all relevant observables. Quantum simulation of spin systems is being explored with trapped ions, neutral atoms, and superconducting devices. We propose here a new paradigm for quantum simulation of spin-1 /2 arrays, providing unprecedented flexibility and allowing one to explore domains beyond the reach of other platforms. It is based on laser-trapped circular Rydberg atoms. Their long intrinsic lifetimes, combined with the inhibition of their microwave spontaneous emission and their low sensitivity to collisions and photoionization, make trapping lifetimes in the minute range realistic with state-of-the-art techniques. Ultracold defect-free circular atom chains can be prepared by a variant of the evaporative cooling method. This method also leads to the detection of arbitrary spin observables with single-site resolution. The proposed simulator realizes an X X Z spin-1 /2 Hamiltonian with nearest-neighbor couplings ranging from a few to tens of kilohertz. All the model parameters can be dynamically tuned at will, making a large range of simulations accessible. The system evolution can be followed over times in the range of seconds, long enough to be relevant for ground-state adiabatic preparation and for the study of thermalization, disorder, or Floquet time crystals. The proposed platform already presents unrivaled features for quantum simulation of regular spin chains. We discuss extensions towards more general quantum simulations of interacting spin systems with full control on individual interactions.

  11. Simulation-based assessment in anesthesiology: requirements for practical implementation.

    PubMed

    Boulet, John R; Murray, David J

    2010-04-01

    Simulations have taken a central role in the education and assessment of medical students, residents, and practicing physicians. The introduction of simulation-based assessments in anesthesiology, especially those used to establish various competencies, has demanded fairly rigorous studies concerning the psychometric properties of the scores. Most important, major efforts have been directed at identifying, and addressing, potential threats to the validity of simulation-based assessment scores. As a result, organizations that wish to incorporate simulation-based assessments into their evaluation practices can access information regarding effective test development practices, the selection of appropriate metrics, the minimization of measurement errors, and test score validation processes. The purpose of this article is to provide a broad overview of the use of simulation for measuring physician skills and competencies. For simulations used in anesthesiology, studies that describe advances in scenario development, the development of scoring rubrics, and the validation of assessment results are synthesized. Based on the summary of relevant research, psychometric requirements for practical implementation of simulation-based assessments in anesthesiology are forwarded. As technology expands, and simulation-based education and evaluation takes on a larger role in patient safety initiatives, the groundbreaking work conducted to date can serve as a model for those individuals and organizations that are responsible for developing, scoring, or validating simulation-based education and assessment programs in anesthesiology.

  12. In Vitro Model Simulating Gastro-Intestinal Digestion in the Pediatric Population (Neonates and Young Infants).

    PubMed

    Kamstrup, Danna; Berthelsen, Ragna; Sassene, Philip Jonas; Selen, Arzu; Müllertz, Anette

    2017-02-01

    The focus on drug delivery for the pediatric population has been steadily increasing in the last decades. In terms of developing in vitro models simulating characteristics of the targeted pediatric population, with the purpose of predicting drug product performance after oral administration, it is important to simulate the gastro-intestinal conditions and processes the drug will encounter upon oral administration. When a drug is administered in the fed state, which is commonly the case for neonates, as they are typically fed every 3 h, the digestion of the milk will affect the composition of the fluid available for drug dissolution/solubilization. Therefore, in order to predict the solubilized amount of drug available for absorption, an in vitro model simulating digestion in the gastro-intestinal tract should be utilized. In order to simulate the digestion process and the drug solubilization taking place in vivo, the following aspects should be considered; physiologically relevant media, media volume, use of physiological enzymes in proper amounts, as well as correct pH and addition of relevant co-factors, e.g., bile salts and co-enzymes. Furthermore, physiological transit times and appropriate mixing should be considered and mimicked as close as possible. This paper presents a literature review on physiological factors relevant for digestion and drug solubilization in neonates. Based on the available literature data, a novel in vitro digestion model simulating digestion and drug solubilization in the neonate and young infant pediatric population (2 months old and younger) was designed.

  13. A Step-by-Step Framework on Discrete Events Simulation in Emergency Department; A Systematic Review.

    PubMed

    Dehghani, Mahsa; Moftian, Nazila; Rezaei-Hachesu, Peyman; Samad-Soltani, Taha

    2017-04-01

    To systematically review the current literature of simulation in healthcare including the structured steps in the emergency healthcare sector by proposing a framework for simulation in the emergency department. For the purpose of collecting the data, PubMed and ACM databases were used between the years 2003 and 2013. The inclusion criteria were to select English-written articles available in full text with the closest objectives from among a total of 54 articles retrieved from the databases. Subsequently, 11 articles were selected for further analysis. The studies focused on the reduction of waiting time and patient stay, optimization of resources allocation, creation of crisis and maximum demand scenarios, identification of overcrowding bottlenecks, investigation of the impact of other systems on the existing system, and improvement of the system operations and functions. Subsequently, 10 simulation steps were derived from the relevant studies after an expert's evaluation. The 10-steps approach proposed on the basis of the selected studies provides simulation and planning specialists with a structured method for both analyzing problems and choosing best-case scenarios. Moreover, following this framework systematically enables the development of design processes as well as software implementation of simulation problems.

  14. Development of modelling method selection tool for health services management: from problem structuring methods to modelling and simulation methods.

    PubMed

    Jun, Gyuchan T; Morris, Zoe; Eldabi, Tillal; Harper, Paul; Naseer, Aisha; Patel, Brijesh; Clarkson, John P

    2011-05-19

    There is an increasing recognition that modelling and simulation can assist in the process of designing health care policies, strategies and operations. However, the current use is limited and answers to questions such as what methods to use and when remain somewhat underdeveloped. The aim of this study is to provide a mechanism for decision makers in health services planning and management to compare a broad range of modelling and simulation methods so that they can better select and use them or better commission relevant modelling and simulation work. This paper proposes a modelling and simulation method comparison and selection tool developed from a comprehensive literature review, the research team's extensive expertise and inputs from potential users. Twenty-eight different methods were identified, characterised by their relevance to different application areas, project life cycle stages, types of output and levels of insight, and four input resources required (time, money, knowledge and data). The characterisation is presented in matrix forms to allow quick comparison and selection. This paper also highlights significant knowledge gaps in the existing literature when assessing the applicability of particular approaches to health services management, where modelling and simulation skills are scarce let alone money and time. A modelling and simulation method comparison and selection tool is developed to assist with the selection of methods appropriate to supporting specific decision making processes. In particular it addresses the issue of which method is most appropriate to which specific health services management problem, what the user might expect to be obtained from the method, and what is required to use the method. In summary, we believe the tool adds value to the scarce existing literature on methods comparison and selection.

  15. Improving team information sharing with a structured call-out in anaesthetic emergencies: a randomized controlled trial.

    PubMed

    Weller, J M; Torrie, J; Boyd, M; Frengley, R; Garden, A; Ng, W L; Frampton, C

    2014-06-01

    Sharing information with the team is critical in developing a shared mental model in an emergency, and fundamental to effective teamwork. We developed a structured call-out tool, encapsulated in the acronym 'SNAPPI': Stop; Notify; Assessment; Plan; Priorities; Invite ideas. We explored whether a video-based intervention could improve structured call-outs during simulated crises and if this would improve information sharing and medical management. In a simulation-based randomized, blinded study, we evaluated the effect of the video-intervention teaching SNAPPI on scores for SNAPPI, information sharing, and medical management using baseline and follow-up crisis simulations. We assessed information sharing using a probe technique where nurses and technicians received unique, clinically relevant information probes before the simulation. Shared knowledge of probes was measured in a written, post-simulation test. We also scored sharing of diagnostic options with the team and medical management. Anaesthetists' scores for SNAPPI were significantly improved, as was the number of diagnostic options they shared. We found a non-significant trend to improve information-probe sharing and medical management in the intervention group, and across all simulations, a significant correlation between SNAPPI and information-probe sharing. Of note, only 27% of the clinically relevant information about the patient provided to the nurse and technician in the pre-simulation information probes was subsequently learnt by the anaesthetist. We developed a structured communication tool, SNAPPI, to improve information sharing between anaesthetists and their team, taught it using a video-based intervention, and provide initial evidence to support its value for improving communication in a crisis. © The Author [2014]. Published by Oxford University Press on behalf of the British Journal of Anaesthesia. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  16. On the convergence of a fully discrete scheme of LES type to physically relevant solutions of the incompressible Navier-Stokes

    NASA Astrophysics Data System (ADS)

    Berselli, Luigi C.; Spirito, Stefano

    2018-06-01

    Obtaining reliable numerical simulations of turbulent fluids is a challenging problem in computational fluid mechanics. The large eddy simulation (LES) models are efficient tools to approximate turbulent fluids, and an important step in the validation of these models is the ability to reproduce relevant properties of the flow. In this paper, we consider a fully discrete approximation of the Navier-Stokes-Voigt model by an implicit Euler algorithm (with respect to the time variable) and a Fourier-Galerkin method (in the space variables). We prove the convergence to weak solutions of the incompressible Navier-Stokes equations satisfying the natural local entropy condition, hence selecting the so-called physically relevant solutions.

  17. Evaluation of the DayCent model to predict carbon fluxes in French crop sites

    NASA Astrophysics Data System (ADS)

    Fujisaki, Kenji; Martin, Manuel P.; Zhang, Yao; Bernoux, Martial; Chapuis-Lardy, Lydie

    2017-04-01

    Croplands in temperate regions are an important component of the carbon balance and can act as a sink or a source of carbon, depending on pedoclimatic conditions and management practices. Therefore the evaluation of carbon fluxes in croplands by modelling approach is relevant in the context of global change. This study was part of the Comete-Global project funded by the multi-Partner call FACCE JPI. Carbon fluxes, net ecosystem exchange (NEE), leaf area index (LAI), biomass, and grain production were simulated at the site level in three French crop experiments from the CarboEurope project. Several crops were studied, like winter wheat, rapeseed, barley, maize, and sunflower. Daily NEE was measured with eddy covariance and could be partitioned between gross primary production (GPP) and total ecosystem respiration (TER). Measurements were compared to DayCent simulations, a process-based model predicting plant production and soil organic matter turnover at daily time step. We compared two versions of the model: the original one with a simplified plant module and a newer version that simulates LAI. Input data for modelling were soil properties, climate, and management practices. Simulations of grain yields and biomass production were acceptable when using optimized crop parameters. Simulation of NEE was also acceptable. GPP predictions were improved with the newer version of the model, eliminating temporal shifts that could be observed with the original model. TER was underestimated by the model. Predicted NEE was more sensitive to soil tillage and nitrogen applications than measured NEE. DayCent was therefore a relevant tool to predict carbon fluxes in French crops at the site level. The introduction of LAI in the model improved its performance.

  18. The Application of Observational Practice and Educational Networking in Simulation-Based and Distributed Medical Education Contexts.

    PubMed

    Welsher, Arthur; Rojas, David; Khan, Zain; VanderBeek, Laura; Kapralos, Bill; Grierson, Lawrence E M

    2018-02-01

    Research has revealed that individuals can improve technical skill performance by viewing demonstrations modeled by either expert or novice performers. These findings support the development of video-based observational practice communities that augment simulation-based skill education and connect geographically distributed learners. This study explores the experimental replicability of the observational learning effect when demonstrations are sampled from a community of distributed learners and serves as a context for understanding learner experiences within this type of training protocol. Participants from 3 distributed medical campuses engaged in a simulation-based learning study of the elliptical excision in which they completed a video-recorded performance before being assigned to 1 of 3 groups for a 2-week observational practice intervention. One group observed expert demonstrations, another observed novice demonstrations, and the third observed a combination of both. Participants returned for posttesting immediately and 1 month after the intervention. Participants also engaged in interviews regarding their perceptions of the usability and relevance of video-based observational practice to clinical education. Checklist (P < 0.0001) and global rating (P < 0.0001) measures indicate that participants, regardless of group assignment, improved after the intervention and after a 1-month retention period. Analyses revealed no significant differences between groups. Qualitative analyses indicate that participants perceived the observational practice platform to be usable, relevant, and potentially improved with enhanced feedback delivery. Video-based observational practice involving expert and/or novice demonstrations enhances simulation-based skill learning in a group of geographically distributed trainees. These findings support the use of Internet-mediated observational learning communities in distributed and simulation-based medical education contexts.

  19. Using adaptive-mesh refinement in SCFT simulations of surfactant adsorption

    NASA Astrophysics Data System (ADS)

    Sides, Scott; Kumar, Rajeev; Jamroz, Ben; Crockett, Robert; Pletzer, Alex

    2013-03-01

    Adsorption of surfactants at interfaces is relevant to many applications such as detergents, adhesives, emulsions and ferrofluids. Atomistic simulations of interface adsorption are challenging due to the difficulty of modeling the wide range of length scales in these problems: the thin interface region in equilibrium with a large bulk region that serves as a reservoir for the adsorbed species. Self-consistent field theory (SCFT) has been extremely useful for studying the morphologies of dense block copolymer melts. Field-theoretic simulations such as these are able to access large length and time scales that are difficult or impossible for particle-based simulations such as molecular dynamics. However, even SCFT methods can be difficult to apply to systems in which small spatial regions might require finer resolution than most of the simulation grid (eg. interface adsorption and confinement). We will present results on interface adsorption simulations using PolySwift++, an object-oriented, polymer SCFT simulation code aided by the Tech-X Chompst library that enables via block-structured AMR calculations with PETSc.

  20. Aneesur Rahman Prize Talk

    NASA Astrophysics Data System (ADS)

    Frenkel, Daan

    2007-03-01

    During the past decade there has been a unique synergy between theory, experiment and simulation in Soft Matter Physics. In colloid science, computer simulations that started out as studies of highly simplified model systems, have acquired direct experimental relevance because experimental realizations of these simple models can now be synthesized. Whilst many numerical predictions concerning the phase behavior of colloidal systems have been vindicated by experiments, the jury is still out on others. In my talk I will discuss some of the recent technical developments, new findings and open questions in computational soft-matter science.

  1. NASA/ESA CV-990 spacelab simulation

    NASA Technical Reports Server (NTRS)

    Reller, J. O., Jr.

    1976-01-01

    Simplified techniques were applied to conduct an extensive spacelab simulation using the airborne laboratory. The scientific payload was selected to perform studies in upper atmospheric physics and infrared astronomy. The mission was successful and provided extensive data relevant to spacelab objectives on overall management of a complex international payload; experiment preparation, testing, and integration; training for proxy operation in space; data handling; multiexperimenter use of common experimenter facilities (telescopes); multiexperiment operation by experiment operators; selection criteria for spacelab experiment operators; and schedule requirements to prepare for such a spacelab mission.

  2. Monte Carlo simulations of secondary electron emission due to ion beam milling

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mahady, Kyle; Tan, Shida; Greenzweig, Yuval

    We present a Monte Carlo simulation study of secondary electron emission resulting from focused ion beam milling of a copper target. The basis of this study is a simulation code which simulates ion induced excitation and emission of secondary electrons, in addition to simulating focused ion beam sputtering and milling. This combination of features permits the simulation of the interaction between secondary electron emission, and the evolving target geometry as the ion beam sputters material. Previous ion induced SE Monte Carlo simulation methods have been restricted to predefined target geometries, while the dynamic target in the presented simulations makes thismore » study relevant to image formation in ion microscopy, and chemically assisted ion beam etching, where the relationship between sputtering, and its effects on secondary electron emission, is important. We focus on a copper target, and validate our simulation against experimental data for a range of: noble gas ions, ion energies, ion/substrate angles and the energy distribution of the secondary electrons. We then provide a detailed account of the emission of secondary electrons resulting from ion beam milling; we quantify both the evolution of the yield as high aspect ratio valleys are milled, as well as the emission of electrons within these valleys that do not escape the target, but which are important to the secondary electron contribution to chemically assisted ion induced etching.« less

  3. Effectiveness of patient simulation in nursing education: meta-analysis.

    PubMed

    Shin, Sujin; Park, Jin-Hwa; Kim, Jung-Hee

    2015-01-01

    The use of simulation as an educational tool is becoming increasingly prevalent in nursing education, and a variety of simulators are utilized. Based on the results of these studies, nursing facilitators must find ways to promote effective learning among students in clinical practice and classrooms. To identify the best available evidence about the effects of patient simulation in nursing education through a meta-analysis. This study explores quantitative evidence published in the electronic databases: EBSCO, Medline, ScienceDirect, and ERIC. Using a search strategy, we identified 2503 potentially relevant articles. Twenty studies were included in the final analysis. We found significant post-intervention improvements in various domains for participants who received simulation education compared to the control groups, with a pooled random-effects standardized mean difference of 0.71, which is a medium-to-large effect size. In the subgroup analysis, we found that simulation education in nursing had benefits, in terms of effect sizes, when the effects were evaluated through performance, the evaluation outcome was psychomotor skills, the subject of learning was clinical, learners were clinical nurses and senior undergraduate nursing students, and simulators were high fidelity. These results indicate that simulation education demonstrated medium to large effect sizes and could guide nurse educators with regard to the conditions under which patient simulation is more effective than traditional learning methods. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. A numerically efficient damping model for acoustic resonances in microfluidic cavities

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hahn, P., E-mail: hahnp@ethz.ch; Dual, J.

    Bulk acoustic wave devices are typically operated in a resonant state to achieve enhanced acoustic amplitudes and high acoustofluidic forces for the manipulation of microparticles. Among other loss mechanisms related to the structural parts of acoustofluidic devices, damping in the fluidic cavity is a crucial factor that limits the attainable acoustic amplitudes. In the analytical part of this study, we quantify all relevant loss mechanisms related to the fluid inside acoustofluidic micro-devices. Subsequently, a numerical analysis of the time-harmonic visco-acoustic and thermo-visco-acoustic equations is carried out to verify the analytical results for 2D and 3D examples. The damping results aremore » fitted into the framework of classical linear acoustics to set up a numerically efficient device model. For this purpose, all damping effects are combined into an acoustofluidic loss factor. Since some components of the acoustofluidic loss factor depend on the acoustic mode shape in the fluid cavity, we propose a two-step simulation procedure. In the first step, the loss factors are deduced from the simulated mode shape. Subsequently, a second simulation is invoked, taking all losses into account. Owing to its computational efficiency, the presented numerical device model is of great relevance for the simulation of acoustofluidic particle manipulation by means of acoustic radiation forces or acoustic streaming. For the first time, accurate 3D simulations of realistic micro-devices for the quantitative prediction of pressure amplitudes and the related acoustofluidic forces become feasible.« less

  5. Study of Forebody Injection and Mixing with Application to Hypervelocity Airbreathing Propulsion

    NASA Technical Reports Server (NTRS)

    Axdahl, Erik; Kumar, Ajay; Wilhite, Alan

    2012-01-01

    The use of premixed, shock-induced combustion in the context of a hypervelocity, airbreathing vehicle requires effective injection and mixing of hydrogen fuel and air on the vehicle forebody. Three dimensional computational simulations of fuel injection and mixing from flush-wall and modified ramp and strut injectors are reported in this study. A well-established code, VULCAN, is used to conduct nonreacting, viscous, turbulent simulations on a flat plate at conditions relevant to a Mach 12 flight vehicle forebody. In comparing results of various fuel injection strategies, it is found that strut injection provides the greatest balance of performance between mixing efficiency and stream thrust potential.

  6. PIC Simulation of Laser Plasma Interactions with Temporal Bandwidths

    NASA Astrophysics Data System (ADS)

    Tsung, Frank; Weaver, J.; Lehmberg, R.

    2015-11-01

    We are performing particle-in-cell simulations using the code OSIRIS to study the effects of laser plasma interactions in the presence of temperal bandwidths under conditions relevant to current and future shock ignition experiments on the NIKE laser. Our simulations show that, for sufficiently large bandwidth, the saturation level, and the distribution of hot electrons, can be effected by the addition of temporal bandwidths (which can be accomplished in experiments using smoothing techniques such as SSD or ISI). We will show that temporal bandwidth along play an important role in the control of LPI's in these lasers and discuss future directions. This work is conducted under the auspices of NRL.

  7. Cerebral-Body Perfusion Model

    DTIC Science & Technology

    1990-07-01

    to simulate flow and pressure interaction between the cerebral and the body systems. its objective is to study the dynamic interaction between the...single model. The objective is to enable the study of the dynamic interaction between these two systems. In this model, relevant parts of the brain and of...34blackout, can also be investigated. For example, the effect can be studied of different inhale/exhale and/or different relative positioning betwoen head-body

  8. Seeing the World through Another Person's Eyes: Simulating Selective Attention via Action Observation

    ERIC Educational Resources Information Center

    Frischen, Alexandra; Loach, Daniel; Tipper, Steven P.

    2009-01-01

    Selective attention is usually considered an egocentric mechanism, biasing sensory information based on its behavioural relevance to oneself. This study provides evidence for an equivalent allocentric mechanism that allows passive observers to selectively attend to information from the perspective of another person. In a negative priming task,…

  9. Insurance and Mathematics: Developing Democratic Citizenship through Interdisciplinary Approaches to Contemporary Issues

    ERIC Educational Resources Information Center

    Misco, Thomas; Lee, Lena; Malone, Kevin; Goley, G. Steven; Seabolt, Phaedra

    2012-01-01

    Insurance is an interesting interdisciplinary topic that can offer generative meaning and relevance for students. By adapting real life examples and authentic simulations, mathematical concepts can be applied to insurance-related social studies issues and content. This article explores ways to teach insurance and related mathematical concepts to…

  10. Simulating Conditions of Learned Helplessness: The Effects of Interventions and Attributions.

    ERIC Educational Resources Information Center

    Donovan, Wilberta L.; Leavitt, Lewis A.

    1985-01-01

    Using a version of the "learned helplessness" paradigm, assesses mothers' performance on a solvable task following pretreatments that involved exposure to an infant cry but that differed in the mothers' ability to exert control over termination of the cry. Proposes that learned helplessness models are relevant to the study of…

  11. Eye Movements Reveal the Dynamic Simulation of Speed in Language

    ERIC Educational Resources Information Center

    Speed, Laura J.; Vigliocco, Gabriella

    2014-01-01

    This study investigates how speed of motion is processed in language. In three eye-tracking experiments, participants were presented with visual scenes and spoken sentences describing fast or slow events (e.g., "The lion ambled/dashed to the balloon"). Results showed that looking time to relevant objects in the visual scene was affected…

  12. A critical evaluation of fasted state simulating gastric fluid (FaSSGF) that contains sodium lauryl sulfate and proposal of a modified recipe.

    PubMed

    Aburub, Aktham; Risley, Donald S; Mishra, Dinesh

    2008-01-22

    The aim of this work is to evaluate one of the most commonly used fasted state simulating gastric fluids (FaSSGFs), which contains sodium lauryl sulfate (SLS) (FaSSGF(SLS)), and propose a more appropriate surfactant concentration. Surface tension studies clearly show that the critical micelle concentration (CMC) of SLS in the relevant media (a media whose pH and sodium chloride concentration are representative of physiological conditions) is significantly lower (p<0.05) than 8.67 mM, which is the SLS concentration in FaSSGF(SLS). The CMC of SLS in the relevant media was determined to be 1.75 mM. Based on this a modified recipe is proposed in which the concentration of SLS is sufficient to achieve a surface tension similar to that in vivo without causing artificial micellar solubilization. Solubility, intrinsic dissolution, and GastroPlus modeling studies are presented to support and give rationale for the modified recipe. In addition, a comparison between the modified recipe and other FaSSGFs reported in the literature is made.

  13. Gyrokinetic δ f simulation of collisionless and semi-collisional tearing mode instabilities

    NASA Astrophysics Data System (ADS)

    Wan, Weigang; Chen, Yang; Parker, Scott

    2004-11-01

    The evolution of collisionless and semi-collisional tearing mode instabilities is studied using a three-dimensional particle-in-cell simulation model that utilizes the δ f-method with the split-weight scheme to enhance the time step, and a novel algorithm(Y. Chen and S.E. Parker, J. Comput. Phys. 198), 463 (2003) to accurately solve the Ampere's equation for experimentally relevant β values, βfracm_im_e≫ 1. We use the model of drift-kinetic electrons and gyrokinetic ions. Linear simulation results are benchmarked with eigenmode analysis for the case of fixed ions. In small box simulations the ions response can be neglected but for large box simulations the ions response is important because the width of perturbed current is larger than ρ_i.The nonlinear dynamics of magnetic islands will be studied and the results will be compared with previous theoretical studiesfootnote J.F. Drake and Y. C. Lee, Phys. Rev. Lett. 39, 453 (1977) on the saturation level and the electron bounce frequency. A collision operator is included in the electron drift kinetic equation to study the simulation in the semi-collisional regime. The algebraical growth stage has been observed and compared quantitatively with theory. Our progress on three-dimensional simulations of tearing mode instabilities will be reported.

  14. Possibilities and limitations of novel in-vitro knee simulator.

    PubMed

    Verstraete, Matthias A; Victor, Jan

    2015-09-18

    The ex-vivo evaluation of knee kinematics remains vital to understand the impact of surgical treatments such as total knee arthroplasty (TKA). To that extent, knee simulators have been developed. However, these simulators have mainly focused on the simulation of a squatting motion. The relevance of this motion pattern for patients' activities of daily living is however questionable as squatting is difficult for elderly patients. Walking, stairs and cycling are more relevant motion patterns. This paper presents the design and control of a simulator that allows to independently control the applied kinematic and kinetic boundary conditions to simulate these daily life activities. Thereby, the knee is left with five degrees of freedom; only the knee flexion is actively controlled. From a kinetic point of view, the quadriceps and hamstring muscles are loaded. Optionally, a varus/valgus moment can be applied, facilitating a dynamic evaluation of the knee's stability. The simulator is based on three control loops, whose synchronization appears satisfactory. The input for these control loops can be determined from either musculoskeletal simulations or in accordance to literature data for traditional knee simulators. This opens the door towards an improved understanding of the knee biomechanics and comparison between different applied motion and force patterns. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Two-dimensional numerical simulation of boron diffusion for pyramidally textured silicon

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ma, Fa-Jun, E-mail: Fajun.Ma@nus.edu.sg; Duttagupta, Shubham; Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117576

    2014-11-14

    Multidimensional numerical simulation of boron diffusion is of great relevance for the improvement of industrial n-type crystalline silicon wafer solar cells. However, surface passivation of boron diffused area is typically studied in one dimension on planar lifetime samples. This approach neglects the effects of the solar cell pyramidal texture on the boron doping process and resulting doping profile. In this work, we present a theoretical study using a two-dimensional surface morphology for pyramidally textured samples. The boron diffusivity and segregation coefficient between oxide and silicon in simulation are determined by reproducing measured one-dimensional boron depth profiles prepared using different boronmore » diffusion recipes on planar samples. The established parameters are subsequently used to simulate the boron diffusion process on textured samples. The simulated junction depth is found to agree quantitatively well with electron beam induced current measurements. Finally, chemical passivation on planar and textured samples is compared in device simulation. Particularly, a two-dimensional approach is adopted for textured samples to evaluate chemical passivation. The intrinsic emitter saturation current density, which is only related to Auger and radiative recombination, is also simulated for both planar and textured samples. The differences between planar and textured samples are discussed.« less

  16. Simulation and augmented reality in endovascular neurosurgery: lessons from aviation.

    PubMed

    Mitha, Alim P; Almekhlafi, Mohammed A; Janjua, Major Jameel J; Albuquerque, Felipe C; McDougall, Cameron G

    2013-01-01

    Endovascular neurosurgery is a discipline strongly dependent on imaging. Therefore, technology that improves how much useful information we can garner from a single image has the potential to dramatically assist decision making during endovascular procedures. Furthermore, education in an image-enhanced environment, especially with the incorporation of simulation, can improve the safety of the procedures and give interventionalists and trainees the opportunity to study or perform simulated procedures before the intervention, much like what is practiced in the field of aviation. Here, we examine the use of simulators in the training of fighter pilots and discuss how similar benefits can compensate for current deficiencies in endovascular training. We describe the types of simulation used for endovascular procedures, including virtual reality, and discuss the relevant data on its utility in training. Finally, the benefit of augmented reality during endovascular procedures is discussed, along with future computerized image enhancement techniques.

  17. Simulation of Clinical Diagnosis: A Comparative Study

    PubMed Central

    de Dombal, F. T.; Horrocks, Jane C.; Staniland, J. R.; Gill, P. W.

    1971-01-01

    This paper presents a comparison between three different modes of simulation of the diagnostic process—a computer-based system, a verbal mode, and a further mode in which cards were selected from a large board. A total of 34 subjects worked through a series of 444 diagnostic simulations. The verbal mode was found to be most enjoyable and realistic. At the board, considerable amounts of extra irrelevant data were selected. At the computer, the users asked the same questions every time, whether or not they were relevant to the particular diagnosis. They also found the teletype distracting, noisy, and slow. The need for an acceptable simulation system remains, and at present our Minisim and verbal modes are proving useful in training junior clinical students. Future simulators should be flexible, economical, and acceptably realistic—and to us this latter criterion implies the two-way use of speech. We are currently developing and testing such a system. PMID:5579197

  18. Computer-Aided Design and 3-Dimensional Printing for Costal Cartilage Simulation of Airway Graft Carving.

    PubMed

    Ha, Jennifer F; Morrison, Robert J; Green, Glenn E; Zopf, David A

    2017-06-01

    Autologous cartilage grafting during open airway reconstruction is a complex skill instrumental to the success of the operation. Most trainees lack adequate opportunities to develop proficiency in this skill. We hypothesized that 3-dimensional (3D) printing and computer-aided design can be used to create a high-fidelity simulator for developing skills carving costal cartilage grafts for airway reconstruction. The rapid manufacturing and low cost of the simulator allow deployment in locations lacking expert instructors or cadaveric dissection, such as medical missions and Third World countries. In this blinded, prospective observational study, resident trainees completed a physical simulator exercise using a 3D-printed costal cartilage grafting tool. Participant assessment was performed using a Likert scale questionnaire, and airway grafts were assessed by a blinded expert surgeon. Most participants found this to be a very relevant training tool and highly rated the level of realism of the simulation tool.

  19. State-dependent sensorimotor processing: gaze and posture stability during simulated flight in birds.

    PubMed

    McArthur, Kimberly L; Dickman, J David

    2011-04-01

    Vestibular responses play an important role in maintaining gaze and posture stability during rotational motion. Previous studies suggest that these responses are state dependent, their expression varying with the environmental and locomotor conditions of the animal. In this study, we simulated an ethologically relevant state in the laboratory to study state-dependent vestibular responses in birds. We used frontal airflow to simulate gliding flight and measured pigeons' eye, head, and tail responses to rotational motion in darkness, under both head-fixed and head-free conditions. We show that both eye and head response gains are significantly higher during flight, thus enhancing gaze and head-in-space stability. We also characterize state-specific tail responses to pitch and roll rotation that would help to maintain body-in-space orientation during flight. These results demonstrate that vestibular sensorimotor processing is not fixed but depends instead on the animal's behavioral state.

  20. State-dependent sensorimotor processing: gaze and posture stability during simulated flight in birds

    PubMed Central

    McArthur, Kimberly L.

    2011-01-01

    Vestibular responses play an important role in maintaining gaze and posture stability during rotational motion. Previous studies suggest that these responses are state dependent, their expression varying with the environmental and locomotor conditions of the animal. In this study, we simulated an ethologically relevant state in the laboratory to study state-dependent vestibular responses in birds. We used frontal airflow to simulate gliding flight and measured pigeons′ eye, head, and tail responses to rotational motion in darkness, under both head-fixed and head-free conditions. We show that both eye and head response gains are significantly higher during flight, thus enhancing gaze and head-in-space stability. We also characterize state-specific tail responses to pitch and roll rotation that would help to maintain body-in-space orientation during flight. These results demonstrate that vestibular sensorimotor processing is not fixed but depends instead on the animal's behavioral state. PMID:21307332

  1. Theoretical Methods of Domain Structures in Ultrathin Ferroelectric Films: A Review

    PubMed Central

    Liu, Jianyi; Chen, Weijin; Wang, Biao; Zheng, Yue

    2014-01-01

    This review covers methods and recent developments of the theoretical study of domain structures in ultrathin ferroelectric films. The review begins with an introduction to some basic concepts and theories (e.g., polarization and its modern theory, ferroelectric phase transition, domain formation, and finite size effects, etc.) that are relevant to the study of domain structures in ultrathin ferroelectric films. Basic techniques and recent progress of a variety of important approaches for domain structure simulation, including first-principles calculation, molecular dynamics, Monte Carlo simulation, effective Hamiltonian approach and phase field modeling, as well as multiscale simulation are then elaborated. For each approach, its important features and relative merits over other approaches for modeling domain structures in ultrathin ferroelectric films are discussed. Finally, we review recent theoretical studies on some important issues of domain structures in ultrathin ferroelectric films, with an emphasis on the effects of interfacial electrostatics, boundary conditions and external loads. PMID:28788198

  2. Can Simulator Immersion Change Cognitive Style? Results from a Cross-Sectional Study of Field-Dependence--Independence in Air Traffic Control Students

    ERIC Educational Resources Information Center

    Van Eck, Richard N.; Fu, Hongxia; Drechsel, Paul V. J.

    2015-01-01

    Air traffic control (ATC) operations are critical to the U.S. aviation infrastructure, making ATC training a critical area of study. Because ATC performance is heavily dependent on visual processing, it is important to understand how to screen for or promote relevant visual processing abilities. While conventional wisdom has maintained that such…

  3. Generation of a large volume of clinically relevant nanometre-sized ultra-high-molecular-weight polyethylene wear particles for cell culture studies

    PubMed Central

    Ingham, Eileen; Fisher, John; Tipper, Joanne L

    2014-01-01

    It has recently been shown that the wear of ultra-high-molecular-weight polyethylene in hip and knee prostheses leads to the generation of nanometre-sized particles, in addition to micron-sized particles. The biological activity of nanometre-sized ultra-high-molecular-weight polyethylene wear particles has not, however, previously been studied due to difficulties in generating sufficient volumes of nanometre-sized ultra-high-molecular-weight polyethylene wear particles suitable for cell culture studies. In this study, wear simulation methods were investigated to generate a large volume of endotoxin-free clinically relevant nanometre-sized ultra-high-molecular-weight polyethylene wear particles. Both single-station and six-station multidirectional pin-on-plate wear simulators were used to generate ultra-high-molecular-weight polyethylene wear particles under sterile and non-sterile conditions. Microbial contamination and endotoxin levels in the lubricants were determined. The results indicated that microbial contamination was absent and endotoxin levels were low and within acceptable limits for the pharmaceutical industry, when a six-station pin-on-plate wear simulator was used to generate ultra-high-molecular-weight polyethylene wear particles in a non-sterile environment. Different pore-sized polycarbonate filters were investigated to isolate nanometre-sized ultra-high-molecular-weight polyethylene wear particles from the wear test lubricants. The use of the filter sequence of 10, 1, 0.1, 0.1 and 0.015 µm pore sizes allowed successful isolation of ultra-high-molecular-weight polyethylene wear particles with a size range of < 100 nm, which was suitable for cell culture studies. PMID:24658586

  4. Generation of a large volume of clinically relevant nanometre-sized ultra-high-molecular-weight polyethylene wear particles for cell culture studies.

    PubMed

    Liu, Aiqin; Ingham, Eileen; Fisher, John; Tipper, Joanne L

    2014-04-01

    It has recently been shown that the wear of ultra-high-molecular-weight polyethylene in hip and knee prostheses leads to the generation of nanometre-sized particles, in addition to micron-sized particles. The biological activity of nanometre-sized ultra-high-molecular-weight polyethylene wear particles has not, however, previously been studied due to difficulties in generating sufficient volumes of nanometre-sized ultra-high-molecular-weight polyethylene wear particles suitable for cell culture studies. In this study, wear simulation methods were investigated to generate a large volume of endotoxin-free clinically relevant nanometre-sized ultra-high-molecular-weight polyethylene wear particles. Both single-station and six-station multidirectional pin-on-plate wear simulators were used to generate ultra-high-molecular-weight polyethylene wear particles under sterile and non-sterile conditions. Microbial contamination and endotoxin levels in the lubricants were determined. The results indicated that microbial contamination was absent and endotoxin levels were low and within acceptable limits for the pharmaceutical industry, when a six-station pin-on-plate wear simulator was used to generate ultra-high-molecular-weight polyethylene wear particles in a non-sterile environment. Different pore-sized polycarbonate filters were investigated to isolate nanometre-sized ultra-high-molecular-weight polyethylene wear particles from the wear test lubricants. The use of the filter sequence of 10, 1, 0.1, 0.1 and 0.015 µm pore sizes allowed successful isolation of ultra-high-molecular-weight polyethylene wear particles with a size range of < 100 nm, which was suitable for cell culture studies.

  5. Remembering the past and imagining the future: attachment effects on production of episodic details in close relationships.

    PubMed

    Cao, Xiancai; Madore, Kevin P; Wang, Dahua; Schacter, Daniel L

    2018-09-01

    Attachment theories and studies have shown that Internal Working Models (IWMs) can impact autobiographical memory and future-oriented information processing relevant to close relationships. According to the constructive episodic simulation hypothesis (CESH), both remembering the past and imagining the future rely on episodic memory. We hypothesised that one way IWMs may bridge past experiences and future adaptations is via episodic memory. The present study investigated the association between attachment and episodic specificity in attachment-relevant and attachment-irrelevant memory and imagination among young and older adults. We measured the attachment style of 37 young adults and 40 older adults, and then asked them to remember or imagine attachment-relevant and attachment-irrelevant events. Participants' narratives were coded for internal details (i.e., episodic) and external details (e.g., semantic, repetitions). The results showed that across age group, secure individuals generated more internal details and fewer external details in attachment-relevant tasks compared to attachment-irrelevant tasks; these differences were not observed in insecure individuals. These findings support the CESH and provide a new perspective to understand the function of IWMs.

  6. Modeling and Simulation Resource Repository (MSRR)(System Engineering/Integrated M&S Management Approach

    NASA Technical Reports Server (NTRS)

    Milroy, Audrey; Hale, Joe

    2006-01-01

    NASA s Exploration Systems Mission Directorate (ESMD) is implementing a management approach for modeling and simulation (M&S) that will provide decision-makers information on the model s fidelity, credibility, and quality, including the verification, validation and accreditation information. The NASA MSRR will be implemented leveraging M&S industry best practices. This presentation will discuss the requirements that will enable NASA to capture and make available the "meta data" or "simulation biography" data associated with a model. The presentation will also describe the requirements that drive how NASA will collect and document relevant information for models or suites of models in order to facilitate use and reuse of relevant models and provide visibility across NASA organizations and the larger M&S community.

  7. Edge-relevant plasma simulations with the continuum code COGENT

    NASA Astrophysics Data System (ADS)

    Dorf, M.; Dorr, M.; Ghosh, D.; Hittinger, J.; Rognlien, T.; Cohen, R.; Lee, W.; Schwartz, P.

    2016-10-01

    We describe recent advances in cross-separatrix and other edge-relevant plasma simulations with COGENT, a continuum gyro-kinetic code being developed by the Edge Simulation Laboratory (ESL) collaboration. The distinguishing feature of the COGENT code is its high-order finite-volume discretization methods, which employ arbitrary mapped multiblock grid technology (nearly field-aligned on blocks) to handle the complexity of tokamak divertor geometry with high accuracy. This paper discusses the 4D (axisymmetric) electrostatic version of the code, and the presented topics include: (a) initial simulations with kinetic electrons and development of reduced fluid models; (b) development and application of implicit-explicit (IMEX) time integration schemes; and (c) conservative modeling of drift-waves and the universal instability. Work performed for USDOE, at LLNL under contract DE-AC52-07NA27344 and at LBNL under contract DE-AC02-05CH11231.

  8. Accelerated simulation of stochastic particle removal processes in particle-resolved aerosol models

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Curtis, J.H.; Michelotti, M.D.; Riemer, N.

    2016-10-01

    Stochastic particle-resolved methods have proven useful for simulating multi-dimensional systems such as composition-resolved aerosol size distributions. While particle-resolved methods have substantial benefits for highly detailed simulations, these techniques suffer from high computational cost, motivating efforts to improve their algorithmic efficiency. Here we formulate an algorithm for accelerating particle removal processes by aggregating particles of similar size into bins. We present the Binned Algorithm for particle removal processes and analyze its performance with application to the atmospherically relevant process of aerosol dry deposition. We show that the Binned Algorithm can dramatically improve the efficiency of particle removals, particularly for low removalmore » rates, and that computational cost is reduced without introducing additional error. In simulations of aerosol particle removal by dry deposition in atmospherically relevant conditions, we demonstrate about 50-times increase in algorithm efficiency.« less

  9. Can one trust quantum simulators?

    NASA Astrophysics Data System (ADS)

    Hauke, Philipp; Cucchietti, Fernando M.; Tagliacozzo, Luca; Deutsch, Ivan; Lewenstein, Maciej

    2012-08-01

    Various fundamental phenomena of strongly correlated quantum systems such as high-Tc superconductivity, the fractional quantum-Hall effect and quark confinement are still awaiting a universally accepted explanation. The main obstacle is the computational complexity of solving even the most simplified theoretical models which are designed to capture the relevant quantum correlations of the many-body system of interest. In his seminal 1982 paper (Feynman 1982 Int. J. Theor. Phys. 21 467), Richard Feynman suggested that such models might be solved by ‘simulation’ with a new type of computer whose constituent parts are effectively governed by a desired quantum many-body dynamics. Measurements on this engineered machine, now known as a ‘quantum simulator,’ would reveal some unknown or difficult to compute properties of a model of interest. We argue that a useful quantum simulator must satisfy four conditions: relevance, controllability, reliability and efficiency. We review the current state of the art of digital and analog quantum simulators. Whereas so far the majority of the focus, both theoretically and experimentally, has been on controllability of relevant models, we emphasize here the need for a careful analysis of reliability and efficiency in the presence of imperfections. We discuss how disorder and noise can impact these conditions, and illustrate our concerns with novel numerical simulations of a paradigmatic example: a disordered quantum spin chain governed by the Ising model in a transverse magnetic field. We find that disorder can decrease the reliability of an analog quantum simulator of this model, although large errors in local observables are introduced only for strong levels of disorder. We conclude that the answer to the question ‘Can we trust quantum simulators?’ is … to some extent.

  10. What Has Finite Element Analysis Taught Us about Diabetic Foot Disease and Its Management? A Systematic Review

    PubMed Central

    Telfer, Scott; Erdemir, Ahmet; Woodburn, James; Cavanagh, Peter R.

    2014-01-01

    Background Over the past two decades finite element (FE) analysis has become a popular tool for researchers seeking to simulate the biomechanics of the healthy and diabetic foot. The primary aims of these simulations have been to improve our understanding of the foot’s complicated mechanical loading in health and disease and to inform interventions designed to prevent plantar ulceration, a major complication of diabetes. This article provides a systematic review and summary of the findings from FE analysis-based computational simulations of the diabetic foot. Methods A systematic literature search was carried out and 31 relevant articles were identified covering three primary themes: methodological aspects relevant to modelling the diabetic foot; investigations of the pathomechanics of the diabetic foot; and simulation-based design of interventions to reduce ulceration risk. Results Methodological studies illustrated appropriate use of FE analysis for simulation of foot mechanics, incorporating nonlinear tissue mechanics, contact and rigid body movements. FE studies of pathomechanics have provided estimates of internal soft tissue stresses, and suggest that such stresses may often be considerably larger than those measured at the plantar surface and are proportionally greater in the diabetic foot compared to controls. FE analysis allowed evaluation of insole performance and development of new insole designs, footwear and corrective surgery to effectively provide intervention strategies. The technique also presents the opportunity to simulate the effect of changes associated with the diabetic foot on non-mechanical factors such as blood supply to local tissues. Discussion While significant advancement in diabetic foot research has been made possible by the use of FE analysis, translational utility of this powerful tool for routine clinical care at the patient level requires adoption of cost-effective (both in terms of labour and computation) and reliable approaches with clear clinical validity for decision making. PMID:25290098

  11. Contribution of rainfall, snow and ice melt to the hydrological regime of the Arve upper catchment and to severe flood events

    NASA Astrophysics Data System (ADS)

    Lecourt, Grégoire; Revuelto, Jesús; Morin, Samuel; Zin, Isabella; Lafaysse, Matthieu; Condom, Thomas; Six, Delphine; Vionnet, Vincent; Charrois, Luc; Dumont, Marie; Gottardi, Frédéric; Laarman, Olivier; Coulaud, Catherine; Esteves, Michel; Lebel, Thierry; Vincent, Christian

    2016-04-01

    In Alpine catchments, the hydrological response to meteorological events is highly influenced by the precipitation phase (liquid or solid) and by snow and ice melt. It is thus necessary to simulate accurately the snowpack evolution and its spatial distribution to perform relevant hydrological simulations. This work is focused on the upper Arve Valley (Western Alps). This 205 km2 catchment has large glaciated areas (roughly 32% of the study area) and covers a large range of elevations (1000-4500 m a.s.l.). Snow presence is significant year-round. The area is also characterized by steep terrain and strong vegetation heterogeneity. Modelling hydrological processes in such a complex catchment is therefore challenging. The detailed ISBA land surface model (including the Crocus snowpack scheme) has been applied to the study area using a topography based discretization (classifying terrain by aspect, elevation, slope and presence of glacier). The meteorological forcing used to run the simulations is the reanalysis issued from the SAFRAN model which assimilates meteorological observations from the Meteo-France networks. Conceptual reservoirs with calibrated values of emptying parameters are used to represent the underground water storage. This approach has been tested to simulate the discharge on the Arve catchment and three sub-catchments over 1990-2015. The simulations were evaluated with respect to observed water discharges for several headwaters with varying glaciated areas. They allow to quantify the relative contribution of rainfall, snow and ice melt to the hydrological regime of the basin. Additionally, we present a detailed analysis of several particular flood events. For these events, the ability of the model to correctly represent the catchment behaviour is investigated, looking particularly to the relevance of the simulated snowpack. Particularly, its spatial distribution is evaluated using MODIS snow cover maps, punctual snowpack observations and summer glacier mass balance estimations.

  12. The Field Relevance of NHTSA's Oblique Research Moving Deformable Barrier Tests.

    PubMed

    Prasad, Priya; Dalmotas, Dainius; German, Alan

    2014-11-01

    A small overlap frontal crash test has been recently introduced by the Insurance Institute for Highway Safety in its frontal rating scheme. Another small overlap frontal crash test is under development by the National Highway Traffic Safety Administration (NHTSA). Whereas the IIHS test is conducted against a fixed rigid barrier, the NHTSA test is conducted with a moving deformable barrier that overlaps 35% of the vehicle being tested and the angle between the longitudinal axis of the barrier and the longitudinal axis of the test vehicle is 15 degrees. The field relevance of the IIHS test has been the subject of a paper by Prasad et al. (2014). The current study is aimed at examining the field relevance of the NHTSA test. The field relevance is indicated by the frequency of occurrence of real world crashes that are simulated by the test conditions, the proportion of serious-to-fatal real world injuries explained by the test condition, and rates of serious injury to the head, chest and other body regions in the real world crashes resembling the test condition. The database examined for real world crashes is NASS. Results of the study indicate that 1.4% of all frontal 11-to-1 o'clock crashes are simulated by the test conditions that account for 2.4% to 4.5% of all frontal serious-to-fatal (MAIS3+F) injuries. Injury rates of the head and the chest are substantially lower in far-side than in near-side frontal impacts. Crash test ATD rotational responses of the head in the tests overpredict the real world risk of serious-to-fatal brain injuries.

  13. Lunar Regolith Simulant Materials: Recommendations for Standardization, Production, and Usage

    NASA Technical Reports Server (NTRS)

    Sibille, L.; Carpenter, P.; Schlagheck, R.; French, R. A.

    2006-01-01

    Experience gained during the Apollo program demonstrated the need for extensive testing of surface systems in relevant environments, including regolith materials similar to those encountered on the lunar surface. As NASA embarks on a return to the Moon, it is clear that the current lunar sample inventory is not only insufficient to support lunar surface technology and system development, but its scientific value is too great to be consumed by destructive studies. Every effort must be made to utilize standard simulant materials, which will allow developers to reduce the cost, development, and operational risks to surface systems. The Lunar Regolith Simulant Materials Workshop held in Huntsville, AL, on January 24 26, 2005, identified the need for widely accepted standard reference lunar simulant materials to perform research and development of technologies required for lunar operations. The workshop also established a need for a common, traceable, and repeatable process regarding the standardization, characterization, and distribution of lunar simulants. This document presents recommendations for the standardization, production and usage of lunar regolith simulant materials.

  14. Hybrid statistics-simulations based method for atom-counting from ADF STEM images.

    PubMed

    De Wael, Annelies; De Backer, Annick; Jones, Lewys; Nellist, Peter D; Van Aert, Sandra

    2017-06-01

    A hybrid statistics-simulations based method for atom-counting from annular dark field scanning transmission electron microscopy (ADF STEM) images of monotype crystalline nanostructures is presented. Different atom-counting methods already exist for model-like systems. However, the increasing relevance of radiation damage in the study of nanostructures demands a method that allows atom-counting from low dose images with a low signal-to-noise ratio. Therefore, the hybrid method directly includes prior knowledge from image simulations into the existing statistics-based method for atom-counting, and accounts in this manner for possible discrepancies between actual and simulated experimental conditions. It is shown by means of simulations and experiments that this hybrid method outperforms the statistics-based method, especially for low electron doses and small nanoparticles. The analysis of a simulated low dose image of a small nanoparticle suggests that this method allows for far more reliable quantitative analysis of beam-sensitive materials. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. A Handbook of Flight Simulation Fidelity Required for Human Factors Research

    DOT National Transportation Integrated Search

    1995-12-01

    This report examines relevant literature for guidelines relative to the use of : flight simulators, ranging from full mission to part-task trainers, in addition : to requirements for flight crew experience and qualifications. Both sets of : guideline...

  16. Large eddy simulation of a wing-body junction flow

    NASA Astrophysics Data System (ADS)

    Ryu, Sungmin; Emory, Michael; Campos, Alejandro; Duraisamy, Karthik; Iaccarino, Gianluca

    2014-11-01

    We present numerical simulations of the wing-body junction flow experimentally investigated by Devenport & Simpson (1990). Wall-junction flows are common in engineering applications but relevant flow physics close to the corner region is not well understood. Moreover, performance of turbulence models for the body-junction case is not well characterized. Motivated by the insufficient investigations, we have numerically investigated the case with Reynolds-averaged Naiver-Stokes equation (RANS) and Large Eddy Simulation (LES) approaches. The Vreman model applied for the LES and SST k- ω model for the RANS simulation are validated focusing on the ability to predict turbulence statistics near the junction region. Moreover, a sensitivity study of the form of the Vreman model will also be presented. This work is funded under NASA Cooperative Agreement NNX11AI41A (Technical Monitor Dr. Stephen Woodruff)

  17. Modeling and Simulation for Mission Operations Work System Design

    NASA Technical Reports Server (NTRS)

    Sierhuis, Maarten; Clancey, William J.; Seah, Chin; Trimble, Jay P.; Sims, Michael H.

    2003-01-01

    Work System analysis and design is complex and non-deterministic. In this paper we describe Brahms, a multiagent modeling and simulation environment for designing complex interactions in human-machine systems. Brahms was originally conceived as a business process design tool that simulates work practices, including social systems of work. We describe our modeling and simulation method for mission operations work systems design, based on a research case study in which we used Brahms to design mission operations for a proposed discovery mission to the Moon. We then describe the results of an actual method application project-the Brahms Mars Exploration Rover. Space mission operations are similar to operations of traditional organizations; we show that the application of Brahms for space mission operations design is relevant and transferable to other types of business processes in organizations.

  18. Can nutrition be promoted through agriculture-led food price policies? A systematic review

    PubMed Central

    Dangour, Alan D; Hawkesworth, Sophie; Shankar, Bhavani; Watson, Louise; Srinivasan, C S; Morgan, Emily H; Haddad, Lawrence; Waage, Jeff

    2013-01-01

    Objective To systematically review the available evidence on whether national or international agricultural policies that directly affect the price of food influence the prevalence rates of undernutrition or nutrition-related chronic disease in children and adults. Design Systematic review. Setting Global. Search strategy We systematically searched five databases for published literature (MEDLINE, EconLit, Agricola, AgEcon Search, Scopus) and systematically browsed other databases and relevant organisational websites for unpublished literature. Reference lists of included publications were hand-searched for additional relevant studies. We included studies that evaluated or simulated the effects of national or international food-price-related agricultural policies on nutrition outcomes reporting data collected after 1990 and published in English. Primary and secondary outcomes Prevalence rates of undernutrition (measured with anthropometry or clinical deficiencies) and overnutrition (obesity and nutrition-related chronic diseases including cancer, heart disease and diabetes). Results We identified a total of four relevant reports; two ex post evaluations and two ex ante simulations. A study from India reported on the undernutrition rates in children, and the other three studies from Egypt, the Netherlands and the USA reported on the nutrition-related chronic disease outcomes in adults. Two of the studies assessed the impact of policies that subsidised the price of agricultural outputs and two focused on public food distribution policies. The limited evidence base provided some support for the notion that agricultural policies that change the prices of foods at a national level can have an effect on population-level nutrition and health outcomes. Conclusions A systematic review of the available literature suggests that there is a paucity of robust direct evidence on the impact of agricultural price policies on nutrition and health. PMID:23801712

  19. Modeling Supernova Shocks with Intense Lasers.

    NASA Astrophysics Data System (ADS)

    Blue, Brent

    2006-04-01

    Large-scale directional outflows of supersonic plasma are ubiquitous phenomena in astrophysics, with specific application to supernovae. The traditional approach to understanding such phenomena is through theoretical analysis and numerical simulations. However, theoretical analysis might not capture all the relevant physics and numerical simulations have limited resolution and fail to scale correctly in Reynolds number and perhaps other key dimensionless parameters. Recent advances in high energy density physics using large inertial confinement fusion devices now allow controlled laboratory experiments on macroscopic volumes of plasma of direct relevance to astrophysics. This talk will present an overview of these facilities as well as results from current laboratory astrophysics experiments designed to study hydrodynamic jets and Rayleigh-Taylor mixing. This work is performed under the auspices of the U. S. DOE by Lawrence Livermore National Laboratory under Contract No. W-7405-ENG-48, Los Alamos National Laboratory under Contract No. W-7405-ENG-36, and the Laboratory for Laser Energetics under Contract No. DE-FC03-92SF19460.

  20. Experimental and Computational Study of Sonic and Supersonic Jet Plumes

    NASA Technical Reports Server (NTRS)

    Venkatapathy, E.; Naughton, J. W.; Fletcher, D. G.; Edwards, Thomas A. (Technical Monitor)

    1994-01-01

    Study of sonic and supersonic jet plumes are relevant to understanding such phenomenon as jet-noise, plume signatures, and rocket base-heating and radiation. Jet plumes are simple to simulate and yet, have complex flow structures such as Mach disks, triple points, shear-layers, barrel shocks, shock-shear-layer interaction, etc. Experimental and computational simulation of sonic and supersonic jet plumes have been performed for under- and over-expanded, axisymmetric plume conditions. The computational simulation compare very well with the experimental observations of schlieren pictures. Experimental data such as temperature measurements with hot-wire probes are yet to be measured and will be compared with computed values. Extensive analysis of the computational simulations presents a clear picture of how the complex flow structure develops and the conditions under which self-similar flow structures evolve. From the computations, the plume structure can be further classified into many sub-groups. In the proposed paper, detail results from the experimental and computational simulations for single, axisymmetric, under- and over-expanded, sonic and supersonic plumes will be compared and the fluid dynamic aspects of flow structures will be discussed.

  1. Using Adaptive Mesh Refinment to Simulate Storm Surge

    NASA Astrophysics Data System (ADS)

    Mandli, K. T.; Dawson, C.

    2012-12-01

    Coastal hazards related to strong storms such as hurricanes and typhoons are one of the most frequently recurring and wide spread hazards to coastal communities. Storm surges are among the most devastating effects of these storms, and their prediction and mitigation through numerical simulations is of great interest to coastal communities that need to plan for the subsequent rise in sea level during these storms. Unfortunately these simulations require a large amount of resolution in regions of interest to capture relevant effects resulting in a computational cost that may be intractable. This problem is exacerbated in situations where a large number of similar runs is needed such as in design of infrastructure or forecasting with ensembles of probable storms. One solution to address the problem of computational cost is to employ adaptive mesh refinement (AMR) algorithms. AMR functions by decomposing the computational domain into regions which may vary in resolution as time proceeds. Decomposing the domain as the flow evolves makes this class of methods effective at ensuring that computational effort is spent only where it is needed. AMR also allows for placement of computational resolution independent of user interaction and expectation of the dynamics of the flow as well as particular regions of interest such as harbors. The simulation of many different applications have only been made possible by using AMR-type algorithms, which have allowed otherwise impractical simulations to be performed for much less computational expense. Our work involves studying how storm surge simulations can be improved with AMR algorithms. We have implemented relevant storm surge physics in the GeoClaw package and tested how Hurricane Ike's surge into Galveston Bay and up the Houston Ship Channel compares to available tide gauge data. We will also discuss issues dealing with refinement criteria, optimal resolution and refinement ratios, and inundation.

  2. [Existing laparoscopic simulators and their benefit for the surgeon].

    PubMed

    Kalvach, J; Ryska, O; Ryska, M

    2016-01-01

    Nowadays, laparoscopic operations are a common part of surgical practice. However, they have their own characteristics and require a specific method of preparation. Recently, simulation techniques have been increasingly used for the training of skills. The aim of this review is to provide a summary of available literature on the topic of laparoscopic simulators, to assess their contribution to the training of surgeons, and to identify the most effective type of simulation. PubMed database, Web of Science and Cochrane Library were used to search for relevant publications. The keywords "laparoscopy, simulator, surgery, assessment" were used in the search. The search was limited to prospective studies published in the last 5 years in the English language. From a total of 354 studies found, we included in the survey 26 that matched our criteria. Nine studies compared individual simulators to one another. Five studies evaluated "high and low fidelity" (a virtual box simulator) as equally effective (EBM 2a). In three cases the "low fidelity" box simulator was found to be more efficient (EBM 2a3b). Only one study preferred the virtual simulator (VR) (EBM2b).Thirteen studies evaluated the benefits of simulators for practice. Twelve found training on a simulator to be an effective method of preparation (EBM 1b3b). In contrast, one study did not find any difference between the training simulator and traditional preparation (EBM 3b). Nine studies evaluated directly one of the methods of evaluating laparoscopic skills. Three studies evaluated VR simulator as a useful assessment tool. Other studies evaluated as successful the scoring system GOALS-GH. The hand motion analysis model was successful in one case. Most studies were observational (EBM 3b) and only 2 studies were of higher quality (EBM 2b). Simulators are an effective tool for practicing laparoscopic techniques (EBM: 1b). It cannot be determined based on available data which of the simulators is most effective. The virtual simulator, however, still remains the most self-sufficient unit suitable for teaching as well as evaluation of laparoscopic techniques (EBM 2b3b). Further studies are needed to find an effective system and parameters for an objective evaluation of skills. laparoscopy - simulator - surgery assessment.

  3. First evidence for "The backup plan paradox".

    PubMed

    Napolitano, Christopher M; Freund, Alexandra M

    2017-08-01

    This research is a first test of the backup plan paradox. We hypothesized that investing in a backup plan may facilitate the conditions that it was developed to address: Plan A's insufficiency. Five studies provide initial, primarily correlative support for the undermining effect of investing in a backup plan. Study 1 (n= 160) demonstrated that the more participants perceived they had invested in developing a backup plan (preparing a "crib sheet"), the more likely they were to use it, although greater investments were unrelated to backup plan utility. Studies 2-4 used a simulated negotiation task. Study 2 (n = 247) demonstrated that when goal-relevant resources are limited, investing in developing backup plans and perceiving them as highly instrumental can decrease goal performance through the indirect effect of increased means replacing. Study 3 (n = 248) replicated this effect when goal-relevant resources were plentiful. Study 4 (n = 204) used an experimental variant of the simulated negotiation task and demonstrated that simply having a backup plan is not detrimental, but perceiving backup plans to be highly instrumental decreased goal performance, again through the indirect effect of increased means replacing. Study 5 (n = 160) replicated findings from Studies 1-4 using a lab-based motor task (throwing a ball). Together, these results provide first evidence that backup plans can introduce costs that may jeopardize goal performance. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  4. Black Hole Coalescence and Mergers: Review, Status, and ``Where are We Heading?''

    NASA Astrophysics Data System (ADS)

    Seidel, E.

    I review recent progress in 3D numerical relativity, focusing onsimulations involving black holes evolved with singularity avoiding slicings. After a long series of axisymmetric and perturbative studies of distorted black holes and black hole collisions, similar studies were carried out with full 3D codes. The results show that such black hole simulations can be carried out extremely accurately, although instabilities plague the simulation at uncomfortably early times. However, new formulations of Einstein's equations allow much more stable 3D evolutions than ever before, enabling the first studies of 3D gravitational collapse to a black hole. With these new formulations, for example, it has become possible to perform the first detailed simulations of 3D grazing collisions of black holes with unequal mass and spin, and with orbital angular momentum. I discuss the 3D black hole physics that can now be studied, and prospects for the future. Such studies may be able to provide information about the final plunge of two black holes, which is relevant to gravitational wave astronomy, and will be very useful as a foundation for future studies when advanced techniques like black hole excision mature to the point that they permit full orbital coalescence simulations.

  5. Applying a Weighted Maximum Likelihood Latent Trait Estimator to the Generalized Partial Credit Model

    ERIC Educational Resources Information Center

    Penfield, Randall D.; Bergeron, Jennifer M.

    2005-01-01

    This article applies a weighted maximum likelihood (WML) latent trait estimator to the generalized partial credit model (GPCM). The relevant equations required to obtain the WML estimator using the Newton-Raphson algorithm are presented, and a simulation study is described that compared the properties of the WML estimator to those of the maximum…

  6. Selecting climate change scenarios using impact-relevant sensitivities

    Treesearch

    Julie A. Vano; John B. Kim; David E. Rupp; Philip W. Mote

    2015-01-01

    Climate impact studies often require the selection of a small number of climate scenarios. Ideally, a subset would have simulations that both (1) appropriately represent the range of possible futures for the variable/s most important to the impact under investigation and (2) come from global climate models (GCMs) that provide plausible results for future climate in the...

  7. Nuclear quantum effects of light and heavy water studied by all-electron first principles path integral simulations

    NASA Astrophysics Data System (ADS)

    Machida, Masahiko; Kato, Koichiro; Shiga, Motoyuki

    2018-03-01

    The isotopologs of liquid water, H2O, D2O, and T2O, are studied systematically by first principles PIMD simulations, in which the whole entity of the electrons and nuclei are treated quantum mechanically. The simulation results are in reasonable agreement with available experimental data on isotope effects, in particular, on the peak shift in the radial distributions of H2O and D2O and the shift in the evaporation energies. It is found that, due to differences in nuclear quantum effects, the H atoms in the OH bonds more easily access the dissociative region up to the hydrogen bond center than the D (T) atoms in the OD (OT) bonds. The accuracy and limitation in the use of the current density-functional-theory-based first principles PIMD simulations are also discussed. It is argued that the inclusion of the dispersion correction or relevant improvements in the density functionals are required for the quantitative estimation of isotope effects.

  8. Epoxide Hydrolase Conformational Heterogeneity for the Resolution of Bulky Pharmacologically Relevant Epoxide Substrates.

    PubMed

    Serrano-Hervás, Eila; Casadevall, Guillem; Garcia-Borràs, Marc; Feixas, Ferran; Osuna, Sílvia

    2018-04-06

    The conformational landscape of Bacillus megaterium epoxide hydrolase (BmEH) and how it is altered by mutations that confer the enzyme the ability to accept bulky epoxide substrates has been investigated. Extensive molecular dynamics (MD) simulations coupled to active site volume calculations have unveiled relevant features of the enzyme conformational dynamics and function. Our long-timescale MD simulations identify key conformational states not previously observed by means of X-ray crystallography and short MD simulations that present the loop containing one of the catalytic residues, Asp239, in a wide-open conformation, which is likely involved in the binding of the epoxide substrate. Introduction of mutations M145S and F128A dramatically alters the conformational landscape of the enzyme. These singly mutated variants can accept bulky epoxide substrates due to the disorder induced by mutation in the α-helix containing the catalytic Tyr144 and some parts of the lid domain. These changes impact the enzyme active site, which is substantially wider and more complementary to the bulky pharmacologically relevant epoxide substrates. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Anterior Cruciate Ligament Biomechanics During Robotic and Mechanical Simulations of Physiologic and Clinical Motion Tasks: A Systematic Review and Meta-Analysis

    PubMed Central

    Bates, Nathaniel A.; Myer, Gregory D.; Shearn, Jason T.; Hewett, Timothy E.

    2014-01-01

    Investigators use in vitro joint simulations to invasively study the biomechanical behaviors of the anterior cruciate ligament. The aims of these simulations are to replicate physiologic conditions, but multiple mechanisms can be used to drive in vitro motions, which may influence biomechanical outcomes. The objective of this review was to examine, summarize, and compare biomechanical evidence related to anterior cruciate ligament function from in vitro simulations of knee motion. A systematic review was conducted (2004 to 2013) in Scopus, PubMed/Medline, and SPORTDiscus to identify peer-reviewed studies that reported kinematic and kinetic outcomes from in vitro simulations of physiologic or clinical tasks at the knee. Inclusion criteria for relevant studies were articles published in English that reported on whole-ligament anterior cruciate ligament mechanics during the in vitro simulation of physiologic or clinical motions on cadaveric knees that were unaltered outside of the anterior-cruciate-ligament-intact, -deficient, and -reconstructed conditions. A meta-analysis was performed to synthesize biomechanical differences between the anterior-cruciate-ligament-intact and reconstructed conditions. 77 studies met our inclusion/exclusion criteria and were reviewed. Combined joint rotations have the greatest impact on anterior cruciate ligament loads, but the magnitude by which individual kinematic degrees of freedom contribute to ligament loading during in vitro simulations is technique-dependent. Biomechanical data collected in prospective, longitudinal studies corresponds better with robotic-manipulator simulations than mechanical-impact simulations. Robotic simulation indicated that the ability to restore intact anterior cruciate ligament mechanics with anterior cruciate ligament reconstructions was dependent on loading condition and degree of freedom examined. PMID:25547070

  10. Searching for the right scale in catchment hydrology: the effect of soil spatial variability in simulated states and fluxes

    NASA Astrophysics Data System (ADS)

    Baroni, Gabriele; Zink, Matthias; Kumar, Rohini; Samaniego, Luis; Attinger, Sabine

    2017-04-01

    The advances in computer science and the availability of new detailed data-sets have led to a growing number of distributed hydrological models applied to finer and finer grid resolutions for larger and larger catchment areas. It was argued, however, that this trend does not necessarily guarantee better understanding of the hydrological processes or it is even not necessary for specific modelling applications. In the present study, this topic is further discussed in relation to the soil spatial heterogeneity and its effect on simulated hydrological state and fluxes. To this end, three methods are developed and used for the characterization of the soil heterogeneity at different spatial scales. The methods are applied at the soil map of the upper Neckar catchment (Germany), as example. The different soil realizations are assessed regarding their impact on simulated state and fluxes using the distributed hydrological model mHM. The results are analysed by aggregating the model outputs at different spatial scales based on the Representative Elementary Scale concept (RES) proposed by Refsgaard et al. (2016). The analysis is further extended in the present study by aggregating the model output also at different temporal scales. The results show that small scale soil variabilities are not relevant when the integrated hydrological responses are considered e.g., simulated streamflow or average soil moisture over sub-catchments. On the contrary, these small scale soil variabilities strongly affect locally simulated states and fluxes i.e., soil moisture and evapotranspiration simulated at the grid resolution. A clear trade-off is also detected by aggregating the model output by spatial and temporal scales. Despite the scale at which the soil variabilities are (or are not) relevant is not universal, the RES concept provides a simple and effective framework to quantify the predictive capability of distributed models and to identify the need for further model improvements e.g., finer resolution input. For this reason, the integration in this analysis of all the relevant input factors (e.g., precipitation, vegetation, geology) could provide a strong support for the definition of the right scale for each specific model application. In this context, however, the main challenge for a proper model assessment will be the correct characterization of the spatio- temporal variability of each input factor. Refsgaard, J.C., Højberg, A.L., He, X., Hansen, A.L., Rasmussen, S.H., Stisen, S., 2016. Where are the limits of model predictive capabilities?: Representative Elementary Scale - RES. Hydrol. Process. doi:10.1002/hyp.11029

  11. ENVIRONMENT: a computational platform to stochastically simulate reacting and self-reproducing lipid compartments

    NASA Astrophysics Data System (ADS)

    Mavelli, Fabio; Ruiz-Mirazo, Kepa

    2010-09-01

    'ENVIRONMENT' is a computational platform that has been developed in the last few years with the aim to simulate stochastically the dynamics and stability of chemically reacting protocellular systems. Here we present and describe some of its main features, showing how the stochastic kinetics approach can be applied to study the time evolution of reaction networks in heterogeneous conditions, particularly when supramolecular lipid structures (micelles, vesicles, etc) coexist with aqueous domains. These conditions are of special relevance to understand the origins of cellular, self-reproducing compartments, in the context of prebiotic chemistry and evolution. We contrast our simulation results with real lab experiments, with the aim to bring together theoretical and experimental research on protocell and minimal artificial cell systems.

  12. FDA’s Nozzle Numerical Simulation Challenge: Non-Newtonian Fluid Effects and Blood Damage

    PubMed Central

    Trias, Miquel; Arbona, Antonio; Massó, Joan; Miñano, Borja; Bona, Carles

    2014-01-01

    Data from FDA’s nozzle challenge–a study to assess the suitability of simulating fluid flow in an idealized medical device–is used to validate the simulations obtained from a numerical, finite-differences code. Various physiological indicators are computed and compared with experimental data from three different laboratories, getting a very good agreement. Special care is taken with the derivation of blood damage (hemolysis). The paper is focused on the laminar regime, in order to investigate non-Newtonian effects (non-constant fluid viscosity). The code can deal with these effects with just a small extra computational cost, improving Newtonian estimations up to a ten percent. The relevance of non-Newtonian effects for hemolysis parameters is discussed. PMID:24667931

  13. Parallel proton fire hose instability in the expanding solar wind: Hybrid simulations

    NASA Astrophysics Data System (ADS)

    Matteini, Lorenzo; Landi, Simone; Hellinger, Petr; Velli, Marco

    2006-10-01

    We report a study of the properties of the parallel proton fire hose instability comparing the results obtained by the linear analysis, from one-dimensional (1-D) standard hybrid simulations and 1-D hybrid expanding box simulations. The three different approaches converge toward the same instability threshold condition which is in good agreement with in situ observations, suggesting that such instability is relevant in the solar wind context. We investigate also the effect of the wave-particle interactions on shaping the proton distribution function and on the evolution of the spectrum of the magnetic fluctuations during the expansion. We find that the resonant interaction can provide the proton distribution function to depart from the bi-Maxwellian form.

  14. Optimisation of Critical Infrastructure Protection: The SiVe Project on Airport Security

    NASA Astrophysics Data System (ADS)

    Breiing, Marcus; Cole, Mara; D'Avanzo, John; Geiger, Gebhard; Goldner, Sascha; Kuhlmann, Andreas; Lorenz, Claudia; Papproth, Alf; Petzel, Erhard; Schwetje, Oliver

    This paper outlines the scientific goals, ongoing work and first results of the SiVe research project on critical infrastructure security. The methodology is generic while pilot studies are chosen from airport security. The outline proceeds in three major steps, (1) building a threat scenario, (2) development of simulation models as scenario refinements, and (3) assessment of alternatives. Advanced techniques of systems analysis and simulation are employed to model relevant airport structures and processes as well as offences. Computer experiments are carried out to compare and optimise alternative solutions. The optimality analyses draw on approaches to quantitative risk assessment recently developed in the operational sciences. To exploit the advantages of the various techniques, an integrated simulation workbench is build up in the project.

  15. Simulating social-ecological systems: the Island Digital Ecosystem Avatars (IDEA) consortium.

    PubMed

    Davies, Neil; Field, Dawn; Gavaghan, David; Holbrook, Sally J; Planes, Serge; Troyer, Matthias; Bonsall, Michael; Claudet, Joachim; Roderick, George; Schmitt, Russell J; Zettler, Linda Amaral; Berteaux, Véronique; Bossin, Hervé C; Cabasse, Charlotte; Collin, Antoine; Deck, John; Dell, Tony; Dunne, Jennifer; Gates, Ruth; Harfoot, Mike; Hench, James L; Hopuare, Marania; Kirch, Patrick; Kotoulas, Georgios; Kosenkov, Alex; Kusenko, Alex; Leichter, James J; Lenihan, Hunter; Magoulas, Antonios; Martinez, Neo; Meyer, Chris; Stoll, Benoit; Swalla, Billie; Tartakovsky, Daniel M; Murphy, Hinano Teavai; Turyshev, Slava; Valdvinos, Fernanda; Williams, Rich; Wood, Spencer

    2016-01-01

    Systems biology promises to revolutionize medicine, yet human wellbeing is also inherently linked to healthy societies and environments (sustainability). The IDEA Consortium is a systems ecology open science initiative to conduct the basic scientific research needed to build use-oriented simulations (avatars) of entire social-ecological systems. Islands are the most scientifically tractable places for these studies and we begin with one of the best known: Moorea, French Polynesia. The Moorea IDEA will be a sustainability simulator modeling links and feedbacks between climate, environment, biodiversity, and human activities across a coupled marine-terrestrial landscape. As a model system, the resulting knowledge and tools will improve our ability to predict human and natural change on Moorea and elsewhere at scales relevant to management/conservation actions.

  16. Enhancing biological relevance of a weighted gene co-expression network for functional module identification.

    PubMed

    Prom-On, Santitham; Chanthaphan, Atthawut; Chan, Jonathan Hoyin; Meechai, Asawin

    2011-02-01

    Relationships among gene expression levels may be associated with the mechanisms of the disease. While identifying a direct association such as a difference in expression levels between case and control groups links genes to disease mechanisms, uncovering an indirect association in the form of a network structure may help reveal the underlying functional module associated with the disease under scrutiny. This paper presents a method to improve the biological relevance in functional module identification from the gene expression microarray data by enhancing the structure of a weighted gene co-expression network using minimum spanning tree. The enhanced network, which is called a backbone network, contains only the essential structural information to represent the gene co-expression network. The entire backbone network is decoupled into a number of coherent sub-networks, and then the functional modules are reconstructed from these sub-networks to ensure minimum redundancy. The method was tested with a simulated gene expression dataset and case-control expression datasets of autism spectrum disorder and colorectal cancer studies. The results indicate that the proposed method can accurately identify clusters in the simulated dataset, and the functional modules of the backbone network are more biologically relevant than those obtained from the original approach.

  17. Building and assessing anatomically relevant phantoms for neonatal transcranial ultrasound

    NASA Astrophysics Data System (ADS)

    Memoli, G.; Gatto, M.; Sadhoo, N.; Gélat, P.; Harris, R. A.; Shaw, A.

    2011-02-01

    This study describes the design and construction of a clinically relevant phantom to survey the temperature increase caused by ultrasound equipment, as currently used in neonatal head-scanning in the UK. The phantom is an ellipsoid of bone-mimic material, filled with brain-mimic; a circular hole in the external surface mimicks the fontanel, through which most clinically relevant scans are made. Finite-element simulations were used to identify possible hot spots and decide the most effective thermocouple positions within the phantom to investigate temperature rise during a typical scan. Novel materials were purposively designed to simulate key acoustic and thermal properties. Three Dimensional Printing (3DP) was employed for the fabrication of the skull phantom, and a specific strategy was successfully pursued to embed a thermocouple within the 3DP skull phantom during the manufacturing process. An in-process Non-Destructive Analysis (NDA) was used to assess the correct position of the deposited thermocouple inside the fabricated skull phantom. The temperature increase in the phantom for a typical trans-fontanellar scan is also presented here. The current phantom will be used in a hospital survey in the UK and, in its final design, will allow for a more reliable evaluation of ultrasound heating than is currently possible.

  18. Review of the fundamental theories behind small angle X-ray scattering, molecular dynamics simulations, and relevant integrated application.

    PubMed

    Boldon, Lauren; Laliberte, Fallon; Liu, Li

    2015-01-01

    In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS) experiments, molecular dynamics (MD) simulations, and MD-SAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics' equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.

  19. A Step-by-Step Framework on Discrete Events Simulation in Emergency Department; A Systematic Review

    PubMed Central

    Dehghani, Mahsa; Moftian, Nazila; Rezaei-Hachesu, Peyman; Samad-Soltani, Taha

    2017-01-01

    Objective: To systematically review the current literature of simulation in healthcare including the structured steps in the emergency healthcare sector by proposing a framework for simulation in the emergency department. Methods: For the purpose of collecting the data, PubMed and ACM databases were used between the years 2003 and 2013. The inclusion criteria were to select English-written articles available in full text with the closest objectives from among a total of 54 articles retrieved from the databases. Subsequently, 11 articles were selected for further analysis. Results: The studies focused on the reduction of waiting time and patient stay, optimization of resources allocation, creation of crisis and maximum demand scenarios, identification of overcrowding bottlenecks, investigation of the impact of other systems on the existing system, and improvement of the system operations and functions. Subsequently, 10 simulation steps were derived from the relevant studies after an expert’s evaluation. Conclusion: The 10-steps approach proposed on the basis of the selected studies provides simulation and planning specialists with a structured method for both analyzing problems and choosing best-case scenarios. Moreover, following this framework systematically enables the development of design processes as well as software implementation of simulation problems. PMID:28507994

  20. Cosmology on a Mesh

    NASA Astrophysics Data System (ADS)

    Gill, Stuart P. D.; Knebe, Alexander; Gibson, Brad K.; Flynn, Chris; Ibata, Rodrigo A.; Lewis, Geraint F.

    2003-04-01

    An adaptive multi grid approach to simulating the formation of structure from collisionless dark matter is described. MLAPM (Multi-Level Adaptive Particle Mesh) is one of the most efficient serial codes available on the cosmological "market" today. As part of Swinburne University's role in the development of the Square Kilometer Array, we are implementing hydrodynamics, feedback, and radiative transfer within the MLAPM adaptive mesh, in order to simulate baryonic processes relevant to the interstellar and intergalactic media at high redshift. We will outline our progress to date in applying the existing MLAPM to a study of the decay of satellite galaxies within massive host potentials.

  1. Trapped-Particle Instability Leading to Bursting in Stimulated Raman Scattering Simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    S. Brunner; E. Valeo

    2001-11-08

    Nonlinear, kinetic simulations of Stimulated Raman Scattering (SRS) for laser-fusion-relevant conditions present a bursting behavior. Different explanations for this regime has been given in previous studies: Saturation of SRS by increased nonlinear Landau damping [K. Estabrook et al., Phys. Fluids B 1 (1989) 1282] and detuning due to the nonlinear frequency shift of the plasma wave [H.X. Vu et al., Phys. Rev. Lett. 86 (2001) 4306]. Another mechanism, also assigning a key role to the trapped electrons, is proposed here: The break-up of the plasma wave through the trapped-particle instability.

  2. Evaluating the Credibility of Transport Processes in the Global Modeling Initiative 3D Model Simulations of Ozone Recovery

    NASA Technical Reports Server (NTRS)

    Strahan, Susan E.; Douglass, Anne R.

    2003-01-01

    The Global Modeling Initiative has integrated two 35-year simulations of an ozone recovery scenario with an offline chemistry and transport model using two different meteorological inputs. Physically based diagnostics, derived from satellite and aircraft data sets, are described and then used to evaluate the realism of temperature and transport processes in the simulations. Processes evaluated include barrier formation in the subtropics and polar regions, and extratropical wave-driven transport. Some diagnostics are especially relevant to simulation of lower stratospheric ozone, but most are applicable to any stratospheric simulation. The temperature evaluation, which is relevant to gas phase chemical reactions, showed that both sets of meteorological fields have near climatological values at all latitudes and seasons at 30 hPa and below. Both simulations showed weakness in upper stratospheric wave driving. The simulation using input from a general circulation model (GMI(sub GCM)) showed a very good residual circulation in the tropics and northern hemisphere. The simulation with input from a data assimilation system (GMI(sub DAS)) performed better in the midlatitudes than at high latitudes. Neither simulation forms a realistic barrier at the vortex edge, leading to uncertainty in the fate of ozone-depleted vortex air. Overall, tracer transport in the offline GMI(sub GCM) has greater fidelity throughout the stratosphere than the GMI(sub DAS).

  3. Reduced atomic pair-interaction design (RAPID) model for simulations of proteins.

    PubMed

    Ni, Boris; Baumketner, Andrij

    2013-02-14

    Increasingly, theoretical studies of proteins focus on large systems. This trend demands the development of computational models that are fast, to overcome the growing complexity, and accurate, to capture the physically relevant features. To address this demand, we introduce a protein model that uses all-atom architecture to ensure the highest level of chemical detail while employing effective pair potentials to represent the effect of solvent to achieve the maximum speed. The effective potentials are derived for amino acid residues based on the condition that the solvent-free model matches the relevant pair-distribution functions observed in explicit solvent simulations. As a test, the model is applied to alanine polypeptides. For the chain with 10 amino acid residues, the model is found to reproduce properly the native state and its population. Small discrepancies are observed for other folding properties and can be attributed to the approximations inherent in the model. The transferability of the generated effective potentials is investigated in simulations of a longer peptide with 25 residues. A minimal set of potentials is identified that leads to qualitatively correct results in comparison with the explicit solvent simulations. Further tests, conducted for multiple peptide chains, show that the transferable model correctly reproduces the experimentally observed tendency of polyalanines to aggregate into β-sheets more strongly with the growing length of the peptide chain. Taken together, the reported results suggest that the proposed model could be used to succesfully simulate folding and aggregation of small peptides in atomic detail. Further tests are needed to assess the strengths and limitations of the model more thoroughly.

  4. Influence of spatiotemporally distributed irradiance data input on temperature evolution in parabolic trough solar field simulations

    NASA Astrophysics Data System (ADS)

    Bubolz, K.; Schenk, H.; Hirsch, T.

    2016-05-01

    Concentrating solar field operation is affected by shadowing through cloud movement. For line focusing systems the impact of varying irradiance has been studied before by several authors with simulations of relevant thermodynamics assuming spatially homogeneous irradiance or using artificial test signals. While today's simulation capabilities allow more and more a higher spatiotemporal resolution of plant processes there are only few studies on influence of spatially distributed irradiance due to lack of available data. Based on recent work on generating real irradiance maps with high spatial resolution this paper demonstrates their influence on solar field thermodynamics. For a case study an irradiance time series is chosen. One solar field section with several loops and collecting header is modeled for simulation purpose of parabolic trough collectors and oil as heat transfer medium. Assuming homogeneous mass flow distribution among all loops we observe spatially varying temperature characteristics. They are analysed without and with mass flow control and their impact on solar field control design is discussed. Finally, the potential of distributed irradiance data is outlined.

  5. Simulation of Atmospheric-Entry Capsules in the Subsonic Regime

    NASA Technical Reports Server (NTRS)

    Murman, Scott M.; Childs, Robert E.; Garcia, Joseph A.

    2015-01-01

    The accuracy of Computational Fluid Dynamics predictions of subsonic capsule aerodynamics is examined by comparison against recent NASA wind-tunnel data at high-Reynolds-number flight conditions. Several aspects of numerical and physical modeling are considered, including inviscid numerical scheme, mesh adaptation, rough-wall modeling, rotation and curvature corrections for eddy-viscosity models, and Detached-Eddy Simulations of the unsteady wake. All of these are considered in isolation against relevant data where possible. The results indicate that an improved predictive capability is developed by considering physics-based approaches and validating the results against flight-relevant experimental data.

  6. Simulated Leaching (Migration) Study for a Model Container-Closure System Applicable to Parenteral and Ophthalmic Drug Products.

    PubMed

    Jenke, Dennis; Egert, Thomas; Hendricker, Alan; Castner, James; Feinberg, Tom; Houston, Christopher; Hunt, Desmond G; Lynch, Michael; Nicholas, Kumudini; Norwood, Daniel L; Paskiet, Diane; Ruberto, Michael; Smith, Edward J; Holcomb, Frank; Markovic, Ingrid

    2017-01-01

    A simulating leaching (migration) study was performed on a model container-closure system relevant to parenteral and ophthalmic drug products. This container-closure system consisted of a linear low-density polyethylene bottle (primary container), a polypropylene cap and an elastomeric cap liner (closure), an adhesive label (labeling), and a foil overpouch (secondary container). The bottles were filled with simulating solvents (aqueous salt/acid mixture at pH 2.5, aqueous buffer at pH 9.5, and 1/1 v/v isopropanol/water), a label was affixed to the filled and capped bottles, the filled bottles were placed into the foil overpouch, and the filled and pouched units were stored either upright or inverted for up to 6 months at 40 °C. After storage, the leaching solutions were tested for leached substances using multiple complementary analytical techniques to address volatile, semi-volatile, and non-volatile organic and inorganic extractables as potential leachables.The leaching data generated supported several conclusions, including that (1) the extractables (leachables) profile revealed by a simulating leaching study can qualitatively be correlated with compositional information for materials of construction, (2) the chemical nature of both the extracting medium and the individual extractables (leachables) can markedly affect the resulting profile, and (3) while direct contact between a drug product and a system's material of construction may exacerbate the leaching of substances from that material by the drug product, direct contact is not a prerequisite for migration and leaching to occur. LAY ABSTRACT: The migration of container-related extractables from a model pharmaceutical container-closure system and into simulated drug product solutions was studied, focusing on circumstances relevant to parenteral and ophthalmic drug products. The model system was constructed specifically to address the migration of extractables from labels applied to the outside of the primary container. The study demonstrated that (1) the extractables that do migrate can be correlated to the composition of the materials used to construct the container-closure systems, (2) the extent of migration is affected by the chemical nature of the simulating solutions and the extractables themselves, and (3) even though labels may not be in direct contact with a contained solution, label-related extractables can accumulate as leachables in those solutions. © PDA, Inc. 2017.

  7. Numerical simulation of aerobic exercise as a countermeasure in human spaceflight

    NASA Astrophysics Data System (ADS)

    Perez-Poch, Antoni

    The objective of this work is to analyse the efficacy of long-term regular exercise on relevant cardiovascular parameters when the human body is also exposed to microgravity. Computer simulations are an important tool which may be used to predict and analyse these possible effects, and compare them with in-flight experiments. We based our study on a electrical-like computer model (NELME: Numerical Evaluation of Long-term Microgravity Effects) which was developed in our laboratory and validated with the available data, focusing on the cardiovascu-lar parameters affected by changes in gravity exposure. NELME is based on an electrical-like control system model of the physiological changes, that are known to take place when grav-ity changes are applied. The computer implementation has a modular architecture. Hence, different output parameters, potential effects, organs and countermeasures can be easily imple-mented and evaluated. We added to the previous cardiovascular system module a perturbation module to evaluate the effect of regular exercise on the output parameters previously studied. Therefore, we simulated a well-known countermeasure with different protocols of exercising, as a pattern of input electric-like perturbations on the basic module. Different scenarios have been numerically simulated for both men and women, in different patterns of microgravity, reduced gravity and time exposure. Also EVAs were simulated as perturbations to the system. Results show slight differences in gender, with more risk reduction for women than for men after following an aerobic exercise pattern during a simulated mission. Also, risk reduction of a cardiovascular malfunction is evaluated, with a ceiling effect found in all scenarios. A turning point in vascular resistance for a long-term exposure of microgravity below 0.4g has been found of particular interest. In conclusion, we show that computer simulations are a valuable tool to analyse different effects of long-term microgravity exposure on the human body. Potential countermeasures such as physical exercise can also be evaluated as an induced perturbation into the system. Relevant results are compatible with existing data, and are of valuable interest as an assessment of the efficacy of aerobic exercise as a countermeasure in future missions to Mars.

  8. A SAS-based solution to evaluate study design efficiency of phase I pediatric oncology trials via discrete event simulation.

    PubMed

    Barrett, Jeffrey S; Jayaraman, Bhuvana; Patel, Dimple; Skolnik, Jeffrey M

    2008-06-01

    Previous exploration of oncology study design efficiency has focused on Markov processes alone (probability-based events) without consideration for time dependencies. Barriers to study completion include time delays associated with patient accrual, inevaluability (IE), time to dose limiting toxicities (DLT) and administrative and review time. Discrete event simulation (DES) can incorporate probability-based assignment of DLT and IE frequency, correlated with cohort in the case of DLT, with time-based events defined by stochastic relationships. A SAS-based solution to examine study efficiency metrics and evaluate design modifications that would improve study efficiency is presented. Virtual patients are simulated with attributes defined from prior distributions of relevant patient characteristics. Study population datasets are read into SAS macros which select patients and enroll them into a study based on the specific design criteria if the study is open to enrollment. Waiting times, arrival times and time to study events are also sampled from prior distributions; post-processing of study simulations is provided within the decision macros and compared across designs in a separate post-processing algorithm. This solution is examined via comparison of the standard 3+3 decision rule relative to the "rolling 6" design, a newly proposed enrollment strategy for the phase I pediatric oncology setting.

  9. Development and Experimental Validation of Large Eddy Simulation Techniques for the Prediction of Combustion-Dynamic Process in Syngas Combustion: Characterization of Autoignition, Flashback, and Flame-Liftoff at Gas-Turbine Relevant Operating Conditions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ihme, Matthias; Driscoll, James

    2015-08-31

    The objective of this closely coordinated experimental and computational research effort is the development of simulation techniques for the prediction of combustion processes, relevant to the oxidation of syngas and high hydrogen content (HHC) fuels at gas-turbine relevant operating conditions. Specifically, the research goals are (i) the characterization of the sensitivity of syngas ignition processes to hydrodynamic processes and perturbations in temperature and mixture composition in rapid compression machines and ow-reactors and (ii) to conduct comprehensive experimental investigations in a swirl-stabilized gas turbine (GT) combustor under realistic high-pressure operating conditions in order (iii) to obtain fundamental understanding about mechanisms controllingmore » unstable flame regimes in HHC-combustion.« less

  10. The Role of Transfer in Designing Games and Simulations for Health: Systematic Review

    PubMed Central

    Terlouw, Gijs; Wartena, Bard O; van 't Veer, Job TB; Prins, Jelle T; Pierie, Jean Pierre EN

    2017-01-01

    Background The usefulness and importance of serious games and simulations in learning and behavior change for health and health-related issues are widely recognized. Studies have addressed games and simulations as interventions, mostly in comparison with their analog counterparts. Numerous complex design choices have to be made with serious games and simulations for health, including choices that directly contribute to the effects of the intervention. One of these decisions is the way an intervention is expected to lead to desirable transfer effects. Most designs adopt a first-class transfer rationale, whereas the second class of transfer types seems a rarity in serious games and simulations for health. Objective This study sought to review the literature specifically on the second class of transfer types in the design of serious games and simulations. Focusing on game-like interventions for health and health care, this study aimed to (1) determine whether the second class of transfer is recognized as a road for transfer in game-like interventions, (2) review the application of the second class of transfer type in designing game-like interventions, and (3) assess studies that include second-class transfer types reporting transfer outcomes. Methods A total of 6 Web-based databases were systematically searched by titles, abstracts, and keywords using the search strategy (video games OR game OR games OR gaming OR computer simulation*) AND (software design OR design) AND (fidelity OR fidelities OR transfer* OR behaviour OR behavior). The databases searched were identified as relevant to health, education, and social science. Results A total of 15 relevant studies were included, covering a range of game-like interventions, all more or less mentioning design parameters aimed at transfer. We found 9 studies where first-class transfer was part of the design of the intervention. In total, 8 studies dealt with transfer concepts and fidelity types in game-like intervention design in general; 3 studies dealt with the concept of second-class transfer types and reported effects, and 2 of those recognized transfer as a design parameter. Conclusions In studies on game-like interventions for health and health care, transfer is regarded as a desirable effect but not as a basic principle for design. None of the studies determined the second class of transfer or instances thereof, although in 3 cases a nonliteral transfer type was present. We also found that studies on game-like interventions for health do not elucidate design choices made and rarely provide design principles for future work. Games and simulations for health abundantly build upon the principles of first-class transfer, but the adoption of second-class transfer types proves scarce. It is likely to be worthwhile to explore the possibilities of second-class transfer types, as they may considerably influence educational objectives in terms of future serious game design for health. PMID:29175812

  11. Student and educator experiences of maternal-child simulation-based learning: a systematic review of qualitative evidence.

    PubMed

    MacKinnon, Karen; Marcellus, Lenora; Rivers, Julie; Gordon, Carol; Ryan, Maureen; Butcher, Diane

    2017-11-01

    Although maternal-child care is a pillar of primary health care, there is a global shortage of maternal-child health care providers. Nurse educators experience difficulties providing undergraduate students with maternal-child learning experiences for a number of reasons. Simulation has the potential to complement learning in clinical and classroom settings. Although systematic reviews of simulation are available, no systematic reviews of qualitative evidence related to maternal-child simulation-based learning (SBL) for undergraduate nursing students and/or educators have been located. The aim of this systematic review was to identify the appropriateness and meaningfulness of maternal-child simulation-based learning for undergraduate nursing students and nursing educators in educational settings to inform curriculum decision-making. The review questions are: INCLUSION CRITERIA TYPES OF PARTICIPANTS: Pre-registration or pre-licensure or undergraduate nursing or health professional students and educators. Experiences of simulation in an educational setting with a focus relevant to maternal child nursing. Qualitative research and educational evaluation using qualitative methods. North America, Europe, Australia and New Zealand. A three-step search strategy identified published studies in the English language from 2000 until April 2016. Identified studies that met the inclusion criteria were retrieved and critically appraised using the Joanna Briggs Institute Qualitative Assessment and Review Instrument (JBI-QARI) by at least two independent reviewers. Overall the methodological quality of the included studies was low. Qualitative findings were extracted by two independent reviewers using JBI-QARI data extraction tools. Findings were aggregated and categorized on the basis of similarity in meaning. Categories were subjected to a meta-synthesis to produce a single comprehensive set of synthesized findings. Twenty-two articles from 19 studies were included in the review. A total of 112 findings were extracted from the included articles. Findings were grouped into 15 categories created on the basis of similarity of meaning. Meta-synthesis of these categories generated three synthesized findings.Synthesized finding 1 Students experienced simulated learning experiences (SLE) as preparation that enhanced their confidence in practice. When simulation was being used for evaluation purposes many students experienced anxiety about the SLE.Synthesized finding 2 Pedagogical practices thought to be appropriate and meaningful included: realistic, relevant and engaging scenarios, a safe non-threatening learning environment, supportive guidance throughout the process, and integration with curriculum.Synthesized finding 3 Barriers and enablers to incorporating SLEs into maternal child education were identified including adequate resources, technological support and faculty development. Students and educators recognized that some things, such as relationship building, could not be simulated. Students felt that simulation prepared them for practice through building their self-confidence related to frequently and infrequently seen maternal-child scenarios. Specific pedagogical elements support the meaningfulness of the simulation for student learning. The presence or absence of resources impacts the capacity of educators to integrate simulation activities throughout curricula.

  12. Simulated microgravity, Mars gravity, and 2g hypergravity affect cell cycle regulation, ribosome biogenesis, and epigenetics in Arabidopsis cell cultures.

    PubMed

    Kamal, Khaled Y; Herranz, Raúl; van Loon, Jack J W A; Medina, F Javier

    2018-04-23

    Gravity is the only component of Earth environment that remained constant throughout the entire process of biological evolution. However, it is still unclear how gravity affects plant growth and development. In this study, an in vitro cell culture of Arabidopsis thaliana was exposed to different altered gravity conditions, namely simulated reduced gravity (simulated microgravity, simulated Mars gravity) and hypergravity (2g), to study changes in cell proliferation, cell growth, and epigenetics. The effects after 3, 14, and 24-hours of exposure were evaluated. The most relevant alterations were found in the 24-hour treatment, being more significant for simulated reduced gravity than hypergravity. Cell proliferation and growth were uncoupled under simulated reduced gravity, similarly, as found in meristematic cells from seedlings grown in real or simulated microgravity. The distribution of cell cycle phases was changed, as well as the levels and gene transcription of the tested cell cycle regulators. Ribosome biogenesis was decreased, according to levels and gene transcription of nucleolar proteins and the number of inactive nucleoli. Furthermore, we found alterations in the epigenetic modifications of chromatin. These results show that altered gravity effects include a serious disturbance of cell proliferation and growth, which are cellular functions essential for normal plant development.

  13. Challenges in reducing the computational time of QSTS simulations for distribution system analysis.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Deboever, Jeremiah; Zhang, Xiaochen; Reno, Matthew J.

    The rapid increase in penetration of distributed energy resources on the electric power distribution system has created a need for more comprehensive interconnection modelling and impact analysis. Unlike conventional scenario - based studies , quasi - static time - series (QSTS) simulation s can realistically model time - dependent voltage controllers and the diversity of potential impacts that can occur at different times of year . However, to accurately model a distribution system with all its controllable devices, a yearlong simulation at 1 - second resolution is often required , which could take conventional computers a computational time of 10more » to 120 hours when an actual unbalanced distribution feeder is modeled . This computational burden is a clear l imitation to the adoption of QSTS simulation s in interconnection studies and for determining optimal control solutions for utility operations . Our ongoing research to improve the speed of QSTS simulation has revealed many unique aspects of distribution system modelling and sequential power flow analysis that make fast QSTS a very difficult problem to solve. In this report , the most relevant challenges in reducing the computational time of QSTS simulations are presented: number of power flows to solve, circuit complexity, time dependence between time steps, multiple valid power flow solutions, controllable element interactions, and extensive accurate simulation analysis.« less

  14. Convective aggregation in realistic convective-scale simulations

    NASA Astrophysics Data System (ADS)

    Holloway, Christopher E.

    2017-06-01

    To investigate the real-world relevance of idealized-model convective self-aggregation, five 15 day cases of real organized convection in the tropics are simulated. These include multiple simulations of each case to test sensitivities of the convective organization and mean states to interactive radiation, interactive surface fluxes, and evaporation of rain. These simulations are compared to self-aggregation seen in the same model configured to run in idealized radiative-convective equilibrium. Analysis of the budget of the spatial variance of column-integrated frozen moist static energy shows that control runs have significant positive contributions to organization from radiation and negative contributions from surface fluxes and transport, similar to idealized runs once they become aggregated. Despite identical lateral boundary conditions for all experiments in each case, systematic differences in mean column water vapor (CWV), CWV distribution shape, and CWV autocorrelation length scale are found between the different sensitivity runs, particularly for those without interactive radiation, showing that there are at least some similarities in sensitivities to these feedbacks in both idealized and realistic simulations (although the organization of precipitation shows less sensitivity to interactive radiation). The magnitudes and signs of these systematic differences are consistent with a rough equilibrium between (1) equalization due to advection from the lateral boundaries and (2) disaggregation due to the absence of interactive radiation, implying disaggregation rates comparable to those in idealized runs with aggregated initial conditions and noninteractive radiation. This points to a plausible similarity in the way that radiation feedbacks maintain aggregated convection in both idealized simulations and the real world.Plain Language SummaryUnderstanding the processes that lead to the organization of tropical rainstorms is an important challenge for weather forecasters and climate scientists. Over the last 20 years, idealized models of the tropical atmosphere have shown that tropical rainstorms can spontaneously clump together. These studies have linked this spontaneous organization to processes related to the interaction between the rainstorms, atmospheric water vapor, clouds, radiation, surface evaporation, and circulations. The present study shows that there are some similarities in how organization of rainfall in more realistic computer model simulations interacts with these processes (particularly radiation). This provides some evidence that the work in the idealized model studies is relevant to the organization of tropical rainstorms in the real world.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23404287','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23404287"><span>The simulation approach to lipid-protein interactions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Paramo, Teresa; Garzón, Diana; Holdbrook, Daniel A; Khalid, Syma; Bond, Peter J</p> <p>2013-01-01</p> <p>The interactions between lipids and proteins are crucial for a range of biological processes, from the folding and stability of membrane proteins to signaling and metabolism facilitated by lipid-binding proteins. However, high-resolution structural details concerning functional lipid/protein interactions are scarce due to barriers in both experimental isolation of native lipid-bound complexes and subsequent biophysical characterization. The molecular dynamics (MD) simulation approach provides a means to complement available structural data, yielding dynamic, structural, and thermodynamic data for a protein embedded within a physiologically realistic, modelled lipid environment. In this chapter, we provide a guide to current methods for setting up and running simulations of membrane proteins and soluble, lipid-binding proteins, using standard atomistically detailed representations, as well as simplified, coarse-grained models. In addition, we outline recent studies that illustrate the power of the simulation approach in the context of biologically relevant lipid/protein interactions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19830055096&hterms=gas+turbine+engine+simulation&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D70%26Ntt%3Dgas%2Bturbine%2Bengine%2Bsimulation','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19830055096&hterms=gas+turbine+engine+simulation&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D70%26Ntt%3Dgas%2Bturbine%2Bengine%2Bsimulation"><span>Importance of inlet boundary conditions for numerical simulation of combustor flows</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Sturgess, G. J.; Syed, S. A.; Mcmanus, K. R.</p> <p>1983-01-01</p> <p>Fluid dynamic computer codes for the mathematical simulation of problems in gas turbine engine combustion systems are required as design and diagnostic tools. To eventually achieve a performance standard with these codes of more than qualitative accuracy it is desirable to use benchmark experiments for validation studies. Typical of the fluid dynamic computer codes being developed for combustor simulations is the TEACH (Teaching Elliptic Axisymmetric Characteristics Heuristically) solution procedure. It is difficult to find suitable experiments which satisfy the present definition of benchmark quality. For the majority of the available experiments there is a lack of information concerning the boundary conditions. A standard TEACH-type numerical technique is applied to a number of test-case experiments. It is found that numerical simulations of gas turbine combustor-relevant flows can be sensitive to the plane at which the calculations start and the spatial distributions of inlet quantities for swirling flows.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28093779','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28093779"><span>Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Martins-Costa, Marilia T C; Ruiz-López, Manuel F</p> <p>2017-04-15</p> <p>We report an enhanced sampling technique that allows to reach the multi-nanosecond timescale in quantum mechanics/molecular mechanics molecular dynamics simulations. The proposed technique, called horsetail sampling, is a specific type of multiple molecular dynamics approach exhibiting high parallel efficiency. It couples a main simulation with a large number of shorter trajectories launched on independent processors at periodic time intervals. The technique is applied to study hydrogen peroxide at the water liquid-vapor interface, a system of considerable atmospheric relevance. A total simulation time of a little more than 6 ns has been attained for a total CPU time of 5.1 years representing only about 20 days of wall-clock time. The discussion of the results highlights the strong influence of the solvation effects at the interface on the structure and the electronic properties of the solute. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22652123','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22652123"><span>Residents' perspectives of the value of a simulation curriculum in a general surgery residency program: a multimethod study of stakeholder feedback.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wehbe-Janek, Hania; Colbert, Colleen Y; Govednik-Horny, Cara; White, Bobbie Ann A; Thomas, Scott; Shabahang, Mohsen</p> <p>2012-06-01</p> <p>Simulation has altered surgical curricula throughout residency programs. The purpose of this multimethod study was to explore residents' perceptions of simulation within surgical residency as relevant stakeholder feedback and program evaluation of the surgery simulation curriculum. Focus groups were held with a sample of surgery residents (n = 25) at a university-affiliated program. Residents participated in focus groups based on level of training and completed questionnaires regarding simulation curricula. Groups were facilitated by nonsurgeon faculty. Residents were asked: "What is the role of simulation in surgical education?" An interdisciplinary team recorded narrative data and performed content analyses. Quantitative data from questionnaires were summarized using descriptive statistics and frequencies. Major themes from the qualitative data included: concerns regarding simulation in surgical education (28%), exposure to situations and technical skills in a low-stress learning environment (24%), pressure by external agencies (19%), an educational tool (17%), and quality assurance for patient care (12%). Laparoscopy and cadaver lab were the most prevalent simulation training during residency, in addition to trauma simulations, central lines/chest tubes/IV access, and stapling lab. In response to the statement: "ACGME should require a simulation curriculum in surgery residency," 52.1% responded favorably and 47.8% responded nonfavorably. Residents acknowledge the value of simulation in patient safety, quality, and exposure to procedures before clinical experience, but remain divided on efficacy and requirement of simulation within curricula. The greater challenge to residency programs may be strategic implementation of simulation curricula within the right training context. Copyright © 2012 Mosby, Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AAS...22912201R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AAS...22912201R"><span>Black Hole Accretion Discs on a Moving Mesh</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ryan, Geoffrey</p> <p>2017-01-01</p> <p>We present multi-dimensional numerical simulations of black hole accretion disks relevant for the production of electromagnetic counterparts to gravitational wave sources. We perform these simulations with a new general relativistic version of the moving-mesh magnetohydrodynamics code DISCO which we will present. This open-source code, GR-DISCO uses an orbiting and shearing mesh which moves with the dominant flow velocity, greatly improving the numerical accuracy of the thermodynamic variables in supersonic flows while also reducing numerical viscosity and greatly increasing computational efficiency by allowing for a larger time step. We have used GR-DISCO to study black hole accretion discs subject to gravitational torques from a binary companion, relevant for both current and future supermassive binary black hole searches and also as a possible electromagnetic precursor mechanism for LIGO events. Binary torques in these discs excite spiral shockwaves which effectively transport angular momentum in the disc and propagate through the innermost stable orbit, leading to stress corresponding to an alpha-viscosity of 10-2. We also present three-dimensional GRMHD simulations of neutrino dominated accretion flows (NDAFs) occurring after a binary neutron star merger in order to elucidate the conditions for electromagnetic transient production accompanying these gravitational waves sources expected to be detected by LIGO in the near future.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29457923','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29457923"><span>Flipping social determinants on its head: Medical student perspectives on the flipped classroom and simulated patients to teach social determinants of health.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Gostelow, N; Barber, J; Gishen, F; Berlin, A</p> <p>2018-02-19</p> <p>Inequalities in healthcare are increasing. Engaging medical students to tackle this urgent challenge alongside clinical sciences can be demanding. This study examines medical student perceptions of a flipped approach to health inequalities co-designed by faculty and sixth-year students. A flipped learning session was piloted for year 4 medical students combining an online lesson followed by a tutorial with a simulated patient. A mixed-methods approach collected questionnaire data using 4-point Likert scales and free text answers. A semi-structured group interview was conducted with six voluntary participants. Two hundred and eighty-nine students completed questionnaires. 85% (n = 246) completed the online lesson. Students agreed the session helped their understanding of key concepts (mean 3.2), was improved by having an actor (mean = 3.6), and was enjoyable (mean = 3.2). Thematic analysis of qualitative questionnaire and interview data revealed three themes: engagement; structure; and attitudes towards social determinants of health. The simulation increased clinical relevance and students gained understanding of the impact of health inequalities upon individuals. This paper indicates flipped learning can increase clinical relevance and engagement in population health and person-centered care. Further work could assess changes in practice and attitudes of future doctors in tackling such global health challenges.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li class="active"><span>11</span></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_11 --> <div id="page_12" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li class="active"><span>12</span></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="221"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007JCoPh.225.2283C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007JCoPh.225.2283C"><span>3D simulations of early blood vessel formation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Cavalli, F.; Gamba, A.; Naldi, G.; Semplice, M.; Valdembri, D.; Serini, G.</p> <p>2007-08-01</p> <p>Blood vessel networks form by spontaneous aggregation of individual cells migrating toward vascularization sites (vasculogenesis). A successful theoretical model of two-dimensional experimental vasculogenesis has been recently proposed, showing the relevance of percolation concepts and of cell cross-talk (chemotactic autocrine loop) to the understanding of this self-aggregation process. Here we study the natural 3D extension of the computational model proposed earlier, which is relevant for the investigation of the genuinely three-dimensional process of vasculogenesis in vertebrate embryos. The computational model is based on a multidimensional Burgers equation coupled with a reaction diffusion equation for a chemotactic factor and a mass conservation law. The numerical approximation of the computational model is obtained by high order relaxed schemes. Space and time discretization are performed by using TVD schemes and, respectively, IMEX schemes. Due to the computational costs of realistic simulations, we have implemented the numerical algorithm on a cluster for parallel computation. Starting from initial conditions mimicking the experimentally observed ones, numerical simulations produce network-like structures qualitatively similar to those observed in the early stages of in vivo vasculogenesis. We develop the computation of critical percolative indices as a robust measure of the network geometry as a first step towards the comparison of computational and experimental data.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.fs.usda.gov/treesearch/pubs/47845','TREESEARCH'); return false;" href="https://www.fs.usda.gov/treesearch/pubs/47845"><span>Effects of topographic features on postfire exposed mineral soil in small watersheds</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.fs.usda.gov/treesearch/">Treesearch</a></p> <p>Mariana Dobre; Joan Q. Wu; William J. Elliot; Ina S. Miller; Theresa B. Jain</p> <p>2014-01-01</p> <p>Exposed mineral soil is an immediate result of forest fires with direct relevance on surface runoff and soil erosion. The goal of this study was to determine which topographic features influence the distribution of exposed mineral soil following wildfire in forested watersheds. In a field investigation 2 months after a simulated wildfire, ground cover was measured and...</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1425616-duration-classicality-highly-degenerate-interacting-bosonic-systems','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1425616-duration-classicality-highly-degenerate-interacting-bosonic-systems"><span>Duration of classicality in highly degenerate interacting Bosonic systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Sikivie, Pierre; Todarello, Elisa M.</p> <p>2017-04-28</p> <p>We study sets of oscillators that have high quantum occupancy and that interact by exchanging quanta. It is shown by analytical arguments and numerical simulation that such systems obey classical equations of motion only on time scales of order their relaxation time τ and not longer than that. The results are relevant to the cosmology of axions and axion-like particles.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19659248','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19659248"><span>Internal friction and nonequilibrium unfolding of polymeric globules.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Alexander-Katz, Alfredo; Wada, Hirofumi; Netz, Roland R</p> <p>2009-07-10</p> <p>The stretching response of a single collapsed homopolymer is studied using Brownian dynamic simulations. The irreversibly dissipated work is found to be dominated by internal friction effects below the collapse temperature, and the internal viscosity grows exponentially with the effective cohesive strength between monomers. These results explain friction effects of globular DNA and are relevant for dissipation at intermediate stages of protein folding.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21330848','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21330848"><span>EXPRESS--Examining Pediatric Resuscitation Education Using Simulation and Scripting. The birth of an international pediatric simulation research collaborative--from concept to reality.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cheng, Adam; Hunt, Elizabeth A; Donoghue, Aaron; Nelson, Kristen; Leflore, Judy; Anderson, JoDee; Eppich, Walter; Simon, Robert; Rudolph, Jenny; Nadkarni, Vinay</p> <p>2011-02-01</p> <p>Over the past decade, medical simulation has evolved into an essential component of pediatric resuscitation education and team training. Evidence to support its value as an adjunct to traditional methods of education is expanding; however, large multicenter studies are very rare. Simulation-based researchers currently face many challenges related to small sample sizes, poor generalizability, and paucity of clinically proven and relevant outcome measures. The Examining Pediatric Resuscitation Education Using Simulation and Scripting (EXPRESS) pediatric simulation research collaborative was formed in an attempt to directly address and overcome these challenges. The primary mission of the EXPRESS collaborative is to improve the delivery of medical care to critically ill children by answering important research questions pertaining to pediatric resuscitation and education and is focused on using simulation either as a key intervention of interest or as the outcome measurement tool. Going forward, the collaborative aims to expand its membership internationally and collectively identify pediatric resuscitation and simulation-based research priorities and use these to guide future projects. Ultimately, we hope that with innovative and high-quality research, the EXPRESS pediatric simulation research collaborative will help to build momentum for simulation-based research on an international level. Copyright © 2011 Society for Simulation in Healthcare</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017EGUGA..1918764P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017EGUGA..1918764P"><span>Comparison of pore space textural characteristics of natural stone exposed to real weathering environment and/or subjected to accelerated weathering tests: implications for durability assessment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Prikryl, Richard; Weishauptová, Zuzana</p> <p>2017-04-01</p> <p>One of the key questions in the debate on durability of natural stone is related to the relevance of accelerated weathering tests for durability assessments, specifically whether similar material responses can be achieved? In the recent study, specimens of opuka stone (extremely fine-grained clayey-calcareous silicite) was subjected to accelerated weathering tests in a climatic chamber (sulphur dioxide atmosphere, freezing/thawing). After completion of certain number of cycles, pore space textural characteristics by means of mercury porosimetry were studied. These data were compared with porosimetric data obtained from a piece of stone, sampled from a carved stone altar located in the interior of the St. Vitus Cathedral (Prague, Czech Republic) which was affected by 150-years lasting indoor decay processes (cyclic themohygric stresses due to variable indoor atmospheric conditions). Interestingly, the pore space textural characteristics of these two sets of specimens are closely related and show some distinct features different from fresh, non-weathered material. Our observation therefore supports relevance of some accelerated weathering simulations; however, conditions of these simulations must be based on parameters of real environment.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=team+AND+building&pg=4&id=EJ1061628','ERIC'); return false;" href="https://eric.ed.gov/?q=team+AND+building&pg=4&id=EJ1061628"><span>Forecasting: Exercises to Enhance Learning from Business Simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Clark, Timothy S.; Kent, Brian M.</p> <p>2013-01-01</p> <p>Forecasting the outputs of dynamic systems develops a richer understanding of relevant inputs and their interrelationships than merely observing them ex post. Academic business simulations foster students' development of this critical competency, but learning outcomes can be significantly augmented with relatively simple, complementary exercises…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=theory+AND+chaos&pg=6&id=EJ962207','ERIC'); return false;" href="https://eric.ed.gov/?q=theory+AND+chaos&pg=6&id=EJ962207"><span>Simulations and Games as Chaordic Learning Contexts</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Leigh, Elyssebeth; Spindler, Laraine</p> <p>2004-01-01</p> <p>Effective facilitation of experiential learning involves an array of knowledge and skills. Educators who facilitate open simulations--one form of experiential learning--benefit from having relevant theoretical frameworks to sustain an appropriate balance between being directive and supportive of their participants' freedom to learn. This ongoing…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018EP%26S...70...17S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018EP%26S...70...17S"><span>Theory, modeling, and integrated studies in the Arase (ERG) project</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Seki, Kanako; Miyoshi, Yoshizumi; Ebihara, Yusuke; Katoh, Yuto; Amano, Takanobu; Saito, Shinji; Shoji, Masafumi; Nakamizo, Aoi; Keika, Kunihiro; Hori, Tomoaki; Nakano, Shin'ya; Watanabe, Shigeto; Kamiya, Kei; Takahashi, Naoko; Omura, Yoshiharu; Nose, Masahito; Fok, Mei-Ching; Tanaka, Takashi; Ieda, Akimasa; Yoshikawa, Akimasa</p> <p>2018-02-01</p> <p>Understanding of underlying mechanisms of drastic variations of the near-Earth space (geospace) is one of the current focuses of the magnetospheric physics. The science target of the geospace research project Exploration of energization and Radiation in Geospace (ERG) is to understand the geospace variations with a focus on the relativistic electron acceleration and loss processes. In order to achieve the goal, the ERG project consists of the three parts: the Arase (ERG) satellite, ground-based observations, and theory/modeling/integrated studies. The role of theory/modeling/integrated studies part is to promote relevant theoretical and simulation studies as well as integrated data analysis to combine different kinds of observations and modeling. Here we provide technical reports on simulation and empirical models related to the ERG project together with their roles in the integrated studies of dynamic geospace variations. The simulation and empirical models covered include the radial diffusion model of the radiation belt electrons, GEMSIS-RB and RBW models, CIMI model with global MHD simulation REPPU, GEMSIS-RC model, plasmasphere thermosphere model, self-consistent wave-particle interaction simulations (electron hybrid code and ion hybrid code), the ionospheric electric potential (GEMSIS-POT) model, and SuperDARN electric field models with data assimilation. ERG (Arase) science center tools to support integrated studies with various kinds of data are also briefly introduced.[Figure not available: see fulltext.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017APS..DPPNO5009A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017APS..DPPNO5009A"><span>Shock ignition targets: gain and robustness vs ignition threshold factor</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Atzeni, Stefano; Antonelli, Luca; Schiavi, Angelo; Picone, Silvia; Volponi, Gian Marco; Marocchino, Alberto</p> <p>2017-10-01</p> <p>Shock ignition is a laser direct-drive inertial confinement fusion scheme, in which the stages of compression and hot spot formation are partly separated. The hot spot is created at the end of the implosion by a converging shock driven by a final ``spike'' of the laser pulse. Several shock-ignition target concepts have been proposed and relevant gain curves computed (see, e.g.). Here, we consider both pure-DT targets and more facility-relevant targets with plastic ablator. The investigation is conducted with 1D and 2D hydrodynamic simulations. We determine ignition threshold factors ITF's (and their dependence on laser pulse parameters) by means of 1D simulations. 2D simulations indicate that robustness to long-scale perturbations increases with ITF. Gain curves (gain vs laser energy), for different ITF's, are generated using 1D simulations. Work partially supported by Sapienza Project C26A15YTMA, Sapienza 2016 (n. 257584), Eurofusion Project AWP17-ENR-IFE-CEA-01.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1983gec..rept.....E','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1983gec..rept.....E"><span>Employment of adaptive learning techniques for the discrimination of acoustic emissions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Erkes, J. W.; McDonald, J. F.; Scarton, H. A.; Tam, K. C.; Kraft, R. P.</p> <p>1983-11-01</p> <p>The following aspects of this study on the discrimination of acoustic emissions (AE) were examined: (1) The analytical development and assessment of digital signal processing techniques for AE signal dereverberation, noise reduction, and source characterization; (2) The modeling and verification of some aspects of key selected techniques through a computer-based simulation; and (3) The study of signal propagation physics and their effect on received signal characteristics for relevant physical situations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AIPC.1960b0028S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AIPC.1960b0028S"><span>Comparison of validation methods for forming simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Schug, Alexander; Kapphan, Gabriel; Bardl, Georg; Hinterhölzl, Roland; Drechsler, Klaus</p> <p>2018-05-01</p> <p>The forming simulation of fibre reinforced thermoplastics could reduce the development time and improve the forming results. But to take advantage of the full potential of the simulations it has to be ensured that the predictions for material behaviour are correct. For that reason, a thorough validation of the material model has to be conducted after characterising the material. Relevant aspects for the validation of the simulation are for example the outer contour, the occurrence of defects and the fibre paths. To measure these features various methods are available. Most relevant and also most difficult to measure are the emerging fibre orientations. For that reason, the focus of this study was on measuring this feature. The aim was to give an overview of the properties of different measuring systems and select the most promising systems for a comparison survey. Selected were an optical, an eddy current and a computer-assisted tomography system with the focus on measuring the fibre orientations. Different formed 3D parts made of unidirectional glass fibre and carbon fibre reinforced thermoplastics were measured. Advantages and disadvantages of the tested systems were revealed. Optical measurement systems are easy to use, but are limited to the surface plies. With an eddy current system also lower plies can be measured, but it is only suitable for carbon fibres. Using a computer-assisted tomography system all plies can be measured, but the system is limited to small parts and challenging to evaluate.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009AGUSM.A11D..08P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009AGUSM.A11D..08P"><span>Statistical Evaluation of CRM-Simulated Cloud and Precipitation Structures Using Multi- sensor TRMM Measurements and Retrievals</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Posselt, D.; L'Ecuyer, T.; Matsui, T.</p> <p>2009-05-01</p> <p>Cloud resolving models are typically used to examine the characteristics of clouds and precipitation and their relationship to radiation and the large-scale circulation. As such, they are not required to reproduce the exact location of each observed convective system, much less each individual cloud. Some of the most relevant information about clouds and precipitation is provided by instruments located on polar-orbiting satellite platforms, but these observations are intermittent "snapshots" in time, making assessment of model performance challenging. In contrast to direct comparison, model results can be evaluated statistically. This avoids the requirement for the model to reproduce the observed systems, while returning valuable information on the performance of the model in a climate-relevant sense. The focus of this talk is a model evaluation study, in which updates to the microphysics scheme used in a three-dimensional version of the Goddard Cumulus Ensemble (GCE) model are evaluated using statistics of observed clouds, precipitation, and radiation. We present the results of multiday (non-equilibrium) simulations of organized deep convection using single- and double-moment versions of a the model's cloud microphysical scheme. Statistics of TRMM multi-sensor derived clouds, precipitation, and radiative fluxes are used to evaluate the GCE results, as are simulated TRMM measurements obtained using a sophisticated instrument simulator suite. We present advantages and disadvantages of performing model comparisons in retrieval and measurement space and conclude by motivating the use of data assimilation techniques for analyzing and improving model parameterizations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JNuM..501..253G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JNuM..501..253G"><span>Molecular dynamics simulation of metallic impurity diffusion in liquid lead-bismuth eutectic (LBE)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gao, Yun; Takahashi, Minoru; Cavallotti, Carlo; Raos, Guido</p> <p>2018-04-01</p> <p>Corrosion of stainless steels by lead-bismuth eutectic (LBE) is an important problem which depends, amongst other things, on the diffusion of the steel components inside this liquid alloy. Here we present the results of classical molecular dynamics simulations of the diffusion of Fe and Ni within LBE. The simulations complement experimental studies of impurity diffusion by our group and provide an atomic-level understanding of the relevant diffusion phenomena. They are based on the embedded atom method (EAM) to represent many-body interactions among atoms. The EAM potentials employed in our simulations have been validated against ab initio density functional calculations. We show that the experimental and simulation results for the temperature-dependent viscosity of LBE and the impurity diffusion coefficients can be reconciled by assuming that the Ni and Fe diffuse mainly as nanoscopic clusters below 1300 K. The average Fe and Ni cluster sizes decrease with increasing the temperature and there is essentially single-atom diffusion at higher temperatures.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28244695','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28244695"><span>Instant noodles made with fortified wheat flour to improve micronutrient intake in Asia: a review of simulation, nutrient retention and sensory studies.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Bronder, Kayla L; Zimmerman, Sarah L; van den Wijngaart, Annoek; Codling, Karen; Johns, Kirsten Ag; Pachón, Helena</p> <p>2017-03-01</p> <p>Consumption of foods made with wheat flour, particularly instant noodles, is increasing in Asia. Given this trend, fortifying wheat flour with vitamins and minerals may improve micronutrient intake in the region. The objective of this review was to understand what is known about fortifying wheat flour used to make instant noodles. A literature review of seven databases was performed using the search terms "noodle" and ("Asian" or "instant"). Grey literature was requested through a food fortification listserv. Articles were title screened first for relevance and duplicity, with exclusion criteria applied during the second round of abstract-level screening. This review considered studies examining simulation, retention, sensory, bioavailability, efficacy, and effectiveness of instant noodles made with fortified wheat flour. Fourteen relevant documents were reviewed for simulation (n=1), retention (n=11), and sensory studies (n=3). The documents revealed that instant noodles produced from fortified wheat flour have potential to improve nutrient intakes, have high retention of most nutrients, and provoke no or minimal changes in sensory characteristics. The available literature indicates that using fortified wheat flour for instant noodle production results in retention of the added nutrients, except thiamin, with no significant sensory change to the final product. Given the rising consumption of instant noodles, production of this item with fortified wheat flour has potential to improve nutrient intakes in Asia. This review provides a resource for the design of a wheat flour fortification program in countries where a large proportion of wheat flour is consumed as instant noodles.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20100037226','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20100037226"><span>Broken Ergodicity in Ideal, Homogeneous, Incompressible Turbulence</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Morin, Lee; Shebalin, John; Fu, Terry; Nguyen, Phu; Shum, Victor</p> <p>2010-01-01</p> <p>We discuss the statistical mechanics of numerical models of ideal homogeneous, incompressible turbulence and their relevance for dissipative fluids and magnetofluids. These numerical models are based on Fourier series and the relevant statistical theory predicts that Fourier coefficients of fluid velocity and magnetic fields (if present) are zero-mean random variables. However, numerical simulations clearly show that certain coefficients have a non-zero mean value that can be very large compared to the associated standard deviation. We explain this phenomena in terms of broken ergodicity', which is defined to occur when dynamical behavior does not match ensemble predictions on very long time-scales. We review the theoretical basis of broken ergodicity, apply it to 2-D and 3-D fluid and magnetohydrodynamic simulations of homogeneous turbulence, and show new results from simulations using GPU (graphical processing unit) computers.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28571789','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28571789"><span>Virtual reality-based simulators for spine surgery: a systematic review.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pfandler, Michael; Lazarovici, Marc; Stefan, Philipp; Wucherer, Patrick; Weigl, Matthias</p> <p>2017-09-01</p> <p>Virtual reality (VR)-based simulators offer numerous benefits and are very useful in assessing and training surgical skills. Virtual reality-based simulators are standard in some surgical subspecialties, but their actual use in spinal surgery remains unclear. Currently, only technical reviews of VR-based simulators are available for spinal surgery. Thus, we performed a systematic review that examined the existing research on VR-based simulators in spinal procedures. We also assessed the quality of current studies evaluating VR-based training in spinal surgery. Moreover, we wanted to provide a guide for future studies evaluating VR-based simulators in this field. This is a systematic review of the current scientific literature regarding VR-based simulation in spinal surgery. Five data sources were systematically searched to identify relevant peer-reviewed articles regarding virtual, mixed, or augmented reality-based simulators in spinal surgery. A qualitative data synthesis was performed with particular attention to evaluation approaches and outcomes. Additionally, all included studies were appraised for their quality using the Medical Education Research Study Quality Instrument (MERSQI) tool. The initial review identified 476 abstracts and 63 full texts were then assessed by two reviewers. Finally, 19 studies that examined simulators for the following procedures were selected: pedicle screw placement, vertebroplasty, posterior cervical laminectomy and foraminotomy, lumbar puncture, facet joint injection, and spinal needle insertion and placement. These studies had a low-to-medium methodological quality with a MERSQI mean score of 11.47 out of 18 (standard deviation=1.81). This review described the current state and applications of VR-based simulator training and assessment approaches in spinal procedures. Limitations, strengths, and future advancements of VR-based simulators for training and assessment in spinal surgery were explored. Higher-quality studies with patient-related outcome measures are needed. To establish further adaptation of VR-based simulators in spinal surgery, future evaluations need to improve the study quality, apply long-term study designs, and examine non-technical skills, as well as multidisciplinary team training. Copyright © 2017 Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26627117','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26627117"><span>Ca(2+) -complex stability of GAPAGPLIVPY peptide in gas and aqueous phase, investigated by affinity capillary electrophoresis and molecular dynamics simulations and compared to mass spectrometric results.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Nachbar, Markus; El Deeb, Sami; Mozafari, Mona; Alhazmi, Hassan A; Preu, Lutz; Redweik, Sabine; Lehmann, Wolf Dieter; Wätzig, Hermann</p> <p>2016-03-01</p> <p>Strong, sequence-specific gas-phase bindings between proline-rich peptides and alkaline earth metal ions in nanoESI-MS experiments were reported by Lehmann et al. (Rapid Commun. Mass Spectrom. 2006, 20, 2404-2410), however its relevance for physiological-like aqueous phase is uncertain. Therefore, the complexes should also be studied in aqueous solution and the relevance of the MS method for binding studies be evaluated. A mobility shift ACE method was used for determining the binding between the small peptide GAPAGPLIVPY and various metal ions in aqueous solution. The findings were compared to the MS results and further explained using computational methods. While the MS data showed a strong alkaline earth ion binding, the ACE results showed nonsignificant binding. The proposed vacuum state complex also decomposed during a molecular dynamic simulation in aqueous solution. This study shows that the formed stable peptide-metal ion adducts in the gas phase by ESI-MS does not imply the existence of analogous adducts in the aqueous phase. Comparing peptide-metal ion interaction under the gaseous MS and aqueous ACE conditions showed huge difference in binding behavior. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28989954','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28989954"><span>Inattentional blindness for a gun during a simulated police vehicle stop.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Simons, Daniel J; Schlosser, Michael D</p> <p>2017-01-01</p> <p>People often fail to notice unexpected objects and events when they are focusing attention on something else. Most studies of this "inattentional blindness" use unexpected objects that are irrelevant to the primary task and to the participant (e.g., gorillas in basketball games or colored shapes in computerized tracking tasks). Although a few studies have examined noticing rates for personally relevant or task-relevant unexpected objects, few have done so in a real-world context with objects that represent a direct threat to the participant. In this study, police academy trainees (n = 100) and experienced police officers (n = 75) engaged in a simulated vehicle traffic stop in which they approached a vehicle to issue a warning or citation for running a stop sign. The driver was either passive and cooperative or agitated and hostile when complying with the officer's instructions. Overall, 58% of the trainees and 33% of the officers failed to notice a gun positioned in full view on the passenger dashboard. The driver's style of interaction had little effect on noticing rates for either group. People can experience inattentional blindness for a potentially dangerous object in a naturalistic real-world context, even when noticing that object would change how they perform their primary task and even when their training focuses on awareness of potential threats.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014EGUGA..16.3931Q','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014EGUGA..16.3931Q"><span>Simulation of pesticide dissipation in soil at the catchment scale over 23 years</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Queyrel, Wilfried; Florence, Habets; Hélène, Blanchoud; Céline, Schott; Laurine, Nicola</p> <p>2014-05-01</p> <p>Pesticide applications lead to contamination risks of environmental compartments causing harmful effects on water resource used for drinking water. Pesticide fate modeling is assumed to be a relevant approach to study pesticide dissipation at the catchment scale. Simulations of five herbicides (atrazine, simazine, isoproturon, chlortoluron, metolachor) and one metabolite (DEA) were carried out with the crop model STICS over a 23-year period (1990-2012). The model application was performed using real agricultural practices over a small rural catchment (104 km²) located at 60km east from Paris (France). Model applications were established for two crops: wheat and maize. The objectives of the study were i) to highlight the main processes implied in pesticide fate and transfer at long-term; ii) to assess the influence of dynamics of the remaining mass of pesticide in soil on transfer; iii) to determine the most sensitive parameters related to pesticide losses by leaching over a 23-year period. The simulated data related to crop yield, water transfer, nitrates and pesticide concentrations were first compared to observations over the 23-year period, when measurements were available at the catchment scale. Then, the evaluation of the main processes related to pesticide fate and transfer was performed using long-term simulations at a yearly time step and monthly average variations. Analyses of the monthly average variations were oriented on the impact of pesticide application, water transfer and pesticide transformation on pesticide leaching. The evolution of the remaining mass of pesticide in soil, including the mobile phase (the liquid phase) and non-mobile (adsorbed at equilibrium and non-equilibrium), was studied to evaluate the impact of pesticide stored in soil on the fraction available for leaching. Finally, a sensitivity test was performed to evaluate the more sensitive parameters regarding the remaining mass of pesticide in soil and leaching. The findings of the study show that the dynamic of the remaining mass of pesticide in soil is a relevant issue to understand pesticide dissipation at long term. Attention must be paid on parameters influencing sorption and availability of the pesticide for leaching. To conclude, the significant discrepancies in the simulated pesticide leaching for the two types of crops (maize and wheat) highlight the interest of using a crop model to simulate the fate of pesticides at the catchment scale.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li class="active"><span>12</span></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_12 --> <div id="page_13" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li class="active"><span>13</span></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="241"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3538151','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3538151"><span>Event Detection and Sub-state Discovery from Bio-molecular Simulations Using Higher-Order Statistics: Application To Enzyme Adenylate Kinase</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Ramanathan, Arvind; Savol, Andrej J.; Agarwal, Pratul K.; Chennubhotla, Chakra S.</p> <p>2012-01-01</p> <p>Biomolecular simulations at milli-second and longer timescales can provide vital insights into functional mechanisms. Since post-simulation analyses of such large trajectory data-sets can be a limiting factor in obtaining biological insights, there is an emerging need to identify key dynamical events and relating these events to the biological function online, that is, as simulations are progressing. Recently, we have introduced a novel computational technique, quasi-anharmonic analysis (QAA) (PLoS One 6(1): e15827), for partitioning the conformational landscape into a hierarchy of functionally relevant sub-states. The unique capabilities of QAA are enabled by exploiting anharmonicity in the form of fourth-order statistics for characterizing atomic fluctuations. In this paper, we extend QAA for analyzing long time-scale simulations online. In particular, we present HOST4MD - a higher-order statistical toolbox for molecular dynamics simulations, which (1) identifies key dynamical events as simulations are in progress, (2) explores potential sub-states and (3) identifies conformational transitions that enable the protein to access those sub-states. We demonstrate HOST4MD on micro-second time-scale simulations of the enzyme adenylate kinase in its apo state. HOST4MD identifies several conformational events in these simulations, revealing how the intrinsic coupling between the three sub-domains (LID, CORE and NMP) changes during the simulations. Further, it also identifies an inherent asymmetry in the opening/closing of the two binding sites. We anticipate HOST4MD will provide a powerful and extensible framework for detecting biophysically relevant conformational coordinates from long time-scale simulations. PMID:22733562</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26418797','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26418797"><span>Status of Microsurgical Simulation Training in Plastic Surgery: A Survey of United States Program Directors.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Al-Bustani, Saif; Halvorson, Eric G</p> <p>2016-06-01</p> <p>Various simulation models for microsurgery have been developed to overcome the limitations of Halstedian training on real patients. We wanted to assess the status of microsurgery simulation in plastic surgery residency programs in the United States. Data were analyzed from responses to a survey sent to all plastic surgery program directors in the United States, asking for type of simulation, quality of facilities, utilization by trainees, evaluation of trainee sessions, and perception of the relevance of simulation. The survey response rate was 50%. Of all programs, 69% provide microsurgical simulation and 75% of these have a laboratory with microscope and 52% provide live animal models. Half share facilities with other departments. The quality of facilities is rated as good or great in 89%. Trainee utilization is once every 3 to 6 months in 82% of programs. Only in 11% is utilization monthly. Formal evaluation of simulation sessions is provided by 41% of programs. All program directors agree simulation is relevant to competence in microsurgery, 60% agree simulation should be mandatory, and 43% require trainees to complete a formal microsurgery course prior to live surgery. There seems to be consensus that microsurgical simulation improves competence, and the majority of program directors agree it should be mandatory. Developing and implementing standardized simulation modules and assessment tools for trainees across the nation as part of a comprehensive competency-based training program for microsurgery is an important patient safety initiative that should be considered. Organizing with other departments to share facilities may improve their quality and hence utilization.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA449312','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA449312"><span>Implementing and Evaluating an Innovative Approach to Simulation Training Acquisitions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2006-01-01</p> <p>busi- ness model, compares it with other approaches for buying simulations and simulation training, reviews economic theories relevant to the model, and...Points in Common with Other Approaches but Also Some Distinctive Characteristics ........................... 53 Contents vii CHAPTER FOUR The Economic ...Appropriate? .................... 65 4.3. Summary of Key Findings from Economic Theory .............. 72 xiii Summary In the wake of the failure of the Joint</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24397711','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24397711"><span>Anticipation by basketball defenders: an explanation based on the three-dimensional inverted pendulum model.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Fujii, Keisuke; Shinya, Masahiro; Yamashita, Daichi; Kouzaki, Motoki; Oda, Shingo</p> <p>2014-01-01</p> <p>We previously estimated the timing when ball game defenders detect relevant information through visual input for reacting to an attacker's running direction after a cutting manoeuvre, called cue timing. The purpose of this study was to investigate what specific information is relevant for defenders, and how defenders process this information to decide on their opponents' running direction. In this study, we hypothesised that defenders extract information regarding the position and velocity of the attackers' centre of mass (CoM) and the contact foot. We used a model which simulates the future trajectory of the opponent's CoM based upon an inverted pendulum movement. The hypothesis was tested by comparing observed defender's cue timing, model-estimated cue timing using the inverted pendulum model (IPM cue timing) and cue timing using only the current CoM position (CoM cue timing). The IPM cue timing was defined as the time when the simulated pendulum falls leftward or rightward given the initial values for position and velocity of the CoM and the contact foot at the time. The model-estimated IPM cue timing and the empirically observed defender's cue timing were comparable in median value and were significantly correlated, whereas the CoM cue timing was significantly more delayed than the IPM and the defender's cue timings. Based on these results, we discuss the possibility that defenders may be able to anticipate the future direction of an attacker by forwardly simulating inverted pendulum movement.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21776610','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21776610"><span>Visualization in simulation tools: requirements and a tool specification to support the teaching of dynamic biological processes.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Jørgensen, Katarina M; Haddow, Pauline C</p> <p>2011-08-01</p> <p>Simulation tools are playing an increasingly important role behind advances in the field of systems biology. However, the current generation of biological science students has either little or no experience with such tools. As such, this educational glitch is limiting both the potential use of such tools as well as the potential for tighter cooperation between the designers and users. Although some simulation tool producers encourage their use in teaching, little attempt has hitherto been made to analyze and discuss their suitability as an educational tool for noncomputing science students. In general, today's simulation tools assume that the user has a stronger mathematical and computing background than that which is found in most biological science curricula, thus making the introduction of such tools a considerable pedagogical challenge. This paper provides an evaluation of the pedagogical attributes of existing simulation tools for cell signal transduction based on Cognitive Load theory. Further, design recommendations for an improved educational simulation tool are provided. The study is based on simulation tools for cell signal transduction. However, the discussions are relevant to a broader biological simulation tool set.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017APS..DPPCO5006M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017APS..DPPCO5006M"><span>Simulations of the National Ignition Facility Opacity Sample</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Martin, M. E.; London, R. A.; Heeter, R. F.; Dodd, E. S.; Devolder, B. G.; Opachich, Y. P.; Liedahl, D. A.; Perry, T. S.</p> <p>2017-10-01</p> <p>A platform to study the opacity of high temperature materials at the National Ignition Facility has been developed. Experiments to study the opacity of materials relevant to inertial confinement fusion and stellar astrophysics are being conducted. The initial NIF experiments are focused on reaching the same plasma conditions (T >150 eV and Ne >= 7 ×1021 cm-3) , for iron, as those achieved in previous experiments at Sandia National Laboratories' (SNL) Z-facility which have shown discrepancies between opacity theory and experiment. We developed a methodology, using 1D HYDRA simulations, to study the effects of tamper thickness on the conditions of iron-magnesium samples. We heat the sample using an x-ray drive from 2D LASNEX hohlraum simulations. We also use this methodology to predict sample uniformity and expansion for comparison with experimental data. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Lawrence Livermore National Security, LLC.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010APS..DPPGO5005P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010APS..DPPGO5005P"><span>Assessing the Two-Plasmon Decay Threat Through Simulations and Experiments on the NIKE Laser System</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Phillips, Lee; Weaver, J. L.; Oh, J.; Schmitt, A. J.; Obenschain, S.</p> <p>2010-11-01</p> <p>NIKE is a Krf laser system at the Naval Research Laboratory used to explore hydrodynamic stability, equation of state, and other physics problems arising in IFE research. The comparatively short KrF wavelength is expected to raise the threshold of most parametric instabilities. We report on simulations performed using the FAST3d radiation hydrocode to design TPD experiments that have have allowed us to explore the validity of simple threshold formulas and help establish the accuracy of our simulations. We have also studied proposed high-gain shock ignition designs and devised experiments that can approach the relevant scalelength-temperature regime, allowing us a potential experimental method to study the LPI threat to these designs by direct observation. Through FAST3d studies of shock-ignited and conventional direct-drive designs with KrF (248 nm) and 3rd harmonic (351nm) drivers, we examine the benefits of the shorter wavelength KrF light in reducing the LPI threat.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20050157067','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20050157067"><span>Improving Aviation Safety with information Visualization: A Flight Simulation Study</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Aragon, Cecilia R.; Hearst, Marti</p> <p>2005-01-01</p> <p>Many aircraft accidents each year are caused by encounters with invisible airflow hazards. Recent advances in aviation sensor technology offer the potential for aircraft-based sensors that can gather large amounts of airflow velocity data in real-time. With this influx of data comes the need to study how best to present it to the pilot - a cognitively overloaded user focused on a primary task other than that of information visualization. In this paper, we present the results of a usability study of an airflow hazard visualization system that significantly reduced the crash rate among experienced helicopter pilots flying a high fidelity, aerodynamically realistic fixed-base rotorcraft flight simulator into hazardous conditions. We focus on one particular aviation application, but the results may be relevant to user interfaces in other operationally stressful environments.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JEMat..45.4524V','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JEMat..45.4524V"><span>Comparing FDTD and Ray-Tracing Models in Numerical Simulation of HgCdTe LWIR Photodetectors</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Vallone, Marco; Goano, Michele; Bertazzi, Francesco; Ghione, Giovanni; Schirmacher, Wilhelm; Hanna, Stefan; Figgemeier, Heinrich</p> <p>2016-09-01</p> <p>We present a simulation study of HgCdTe-based long-wavelength infrared detectors, focusing on methodological comparisons between the finite-difference time-domain (FDTD) and ray-tracing optical models. We performed three-dimensional simulations to determine the absorbed photon density distributions and the corresponding photocurrent and quantum efficiency spectra of isolated n-on- p uniform-composition pixels, systematically comparing the results obtained with FDTD and ray tracing. Since ray tracing is a classical optics approach, unable to describe interference effects, its applicability has been found to be strongly wavelength dependent, especially when reflections from metallic layers are relevant. Interesting cavity effects around the material cutoff wavelength are described, and the cases where ray tracing can be considered a viable approximation are discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2002ASAJ..111.2421K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2002ASAJ..111.2421K"><span>Perceptual effects in auralization of virtual rooms</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kleiner, Mendel; Larsson, Pontus; Vastfjall, Daniel; Torres, Rendell R.</p> <p>2002-05-01</p> <p>By using various types of binaural simulation (or ``auralization'') of physical environments, it is now possible to study basic perceptual issues relevant to room acoustics, as well to simulate the acoustic conditions found in concert halls and other auditoria. Binaural simulation of physical spaces in general is also important to virtual reality systems. This presentation will begin with an overview of the issues encountered in the auralization of room and other environments. We will then discuss the influence of various approximations in room modeling, in particular, edge- and surface scattering, on the perceived room response. Finally, we will discuss cross-modal effects, such as the influence of visual cues on the perception of auditory cues, and the influence of cross-modal effects on the judgement of ``perceived presence'' and the rating of room acoustic quality.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5366245','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5366245"><span>Recent Advances in Transferable Coarse-Grained Modeling of Proteins</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Kar, Parimal; Feig, Michael</p> <p>2017-01-01</p> <p>Computer simulations are indispensable tools for studying the structure and dynamics of biological macromolecules. Biochemical processes occur on different scales of length and time. Atomistic simulations cannot cover the relevant spatiotemporal scales at which the cellular processes occur. To address this challenge, coarse-grained (CG) modeling of the biological systems are employed. Over the last few years, many CG models for proteins continue to be developed. However, many of them are not transferable with respect to different systems and different environments. In this review, we discuss those CG protein models that are transferable and that retain chemical specificity. We restrict ourselves to CG models of soluble proteins only. We also briefly review recent progress made in the multi-scale hybrid all-atom/coarse-grained simulations of proteins. PMID:25443957</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21484838','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21484838"><span>Molecular dynamics simulations and free energy calculations on the enzyme 4-hydroxyphenylpyruvate dioxygenase.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>De Beer, Stephanie B A; Glättli, Alice; Hutzler, Johannes; Vermeulen, Nico P E; Oostenbrink, Chris</p> <p>2011-07-30</p> <p>4-Hydroxyphenylpyruvate dioxygenase is a relevant target in both pharmaceutical and agricultural research. We report on molecular dynamics simulations and free energy calculations on this enzyme, in complex with 12 inhibitors for which experimental affinities were determined. We applied the thermodynamic integration approach and the more efficient one-step perturbation. Even though simulations seem well converged and both methods show excellent agreement between them, the correlation with the experimental values remains poor. We investigate the effect of slight modifications on the charge distribution of these highly conjugated systems and find that accurate models can be obtained when using improved force field parameters. This study gives insight into the applicability of free energy methods and current limitations in force field parameterization. Copyright © 2011 Wiley Periodicals, Inc.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27986263','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27986263"><span>Simulation based teaching in interventional radiology training: is it effective?</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Patel, R; Dennick, R</p> <p>2017-03-01</p> <p>To establish the educational effectiveness of simulation teaching in interventional radiology training. Electronic databases (MEDLINE, ERIC, Embase, OvidSP, and Cochrane Library) were searched (January 2000 to May 2015). Studies specifically with educational outcomes conducted on radiologists were eligible. All forms of simulation in interventional training were included. Data were extracted based on the population, intervention, comparison, and outcome (PICO) model. Kirkpatrick's hierarchy was used to establish educational intervention effectiveness. The quality of studies was assessed using the Cochrane risk of bias tool. Search resulted in 377 articles, of which 15 met the inclusion criteria. Thirteen of the 15 studies achieved level 2 of Kirkpatrick's hierarchy with only one reaching level 4. Statistically significant improvements in performance metrics as objective measures, demonstrating trainee competence were seen in 12/15 studies. Subjective improvements in confidence were noted in 13/15. Only one study demonstrated skills transferability and improvements in patient outcomes. Results demonstrate the relevance of simulated training to current education models in improving trainee competence; however, this is limited to the simulated environment as there is a lack of literature investigating its predictive validity and the effect on patient outcomes. The requirement for further research in this field is highlighted. Simulation is thus currently only deemed useful as an adjunct to current training models with the potential to play an influential role in the future of the interventional radiology training curriculum. Copyright © 2016. Published by Elsevier Ltd.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19820008120','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19820008120"><span>The composing process in technical communications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Hertz, V. L.</p> <p>1981-01-01</p> <p>The theoretical construct under which technical writing exercises operate and results from a survey distributed to a random sample of teachers of technical writing are described. The survey, part of a study to develop materials that did not stress prescriptive formats, drew on diverse elements in report writing to enhance writing as a process. Areas of agreement and disagreement related to problem solving, paper evaluation, and individualizing instruction were surveyed. Areas of concern in contemplating the composition process include: (1) the need to create an environment that helps students want to succeed, (2) the role of peer group activity in helping some students who might not respond through lecture or individual study, and (3) encouraging growth in abilities and helping motivate students' interest in writing projects through relevant assignments or simulations students perceive as relevant.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014AGUFMIN23C3741D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014AGUFMIN23C3741D"><span>Analysis of model output and science data in the Virtual Model Repository (VMR).</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>De Zeeuw, D.; Ridley, A. J.</p> <p>2014-12-01</p> <p>Big scientific data not only includes large repositories of data from scientific platforms like satelites and ground observation, but also the vast output of numerical models. The Virtual Model Repository (VMR) provides scientific analysis and visualization tools for a many numerical models of the Earth-Sun system. Individual runs can be analyzed in the VMR and compared to relevant data through relevant metadata, but larger collections of runs can also now be studied and statistics generated on the accuracy and tendancies of model output. The vast model repository at the CCMC with over 1000 simulations of the Earth's magnetosphere was used to look at overall trends in accuracy when compared to satelites such as GOES, Geotail, and Cluster. Methodology for this analysis as well as case studies will be presented.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/10576671','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/10576671"><span>Does a threat appeal moderate reckless driving? A terror management theory perspective.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ben-Ari, O T; Florian, V; Mikulincer, M</p> <p>2000-01-01</p> <p>A series of two studies examined the effects of threat appeals on reckless driving from a terror management theory perspective. In both studies, all the participants (N = 109) reported on the relevance of driving to their self-esteem, and, then, half of them were exposed to a road trauma film and the remaining to a neutral film. In Study 1, the dependent variable was the self-report of intentions to drive recklessly in hypothetical scenarios. In Study 2, the dependent variable was actual behavior (driving speed) in a driving simulator. Findings indicated that a road trauma film led to less reported intentions of reckless driving, but to higher driving speed than a neutral film. These effects were only found among participants who perceived driving as relevant to their self-esteem. The discussion emphasized the self-enhancing mechanisms proposed by the terror management theory.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AGUFM.H11O..08S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AGUFM.H11O..08S"><span>a New Framework for Characterising Simulated Droughts for Future Climates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sharma, A.; Rashid, M.; Johnson, F.</p> <p>2017-12-01</p> <p>Significant attention has been focussed on metrics for quantifying drought. Lesser attention has been given to the unsuitability of current metrics in quantifying drought in a changing climate due to the clear non-stationarity in potential and actual evapotranspiration well into the future (Asadi-Zarch et al, 2015). This talk presents a new basis for simulating drought designed specifically for use with climate model simulations. Given the known uncertainty of climate model rainfall simulations, along with their inability to represent low-frequency variability attributes, the approach here adopts a predictive model for drought using selected atmospheric indicators. This model is based on a wavelet decomposition of relevant atmospheric predictors to filter out less relevant frequencies and formulate a better characterisation of the drought metric chosen as response. Once ascertained using observed precipication and associated atmospheric variables, these can be formulated from GCM simulations using a multivariate bias correction tool (Mehrotra and Sharma, 2016) that accounts for low-frequency variability, and a regression tool that accounts for nonlinear dependence (Sharma and Mehrotra, 2014). Use of only the relevant frequencies, as well as the corrected representation of cross-variable dependence, allows greater accuracy in characterising observed drought, from GCM simulations. Using simulations from a range of GCMs across Australia, we show here that this new method offers considerable advantages in representing drought compared to traditionally followed alternatives that rely on modelled rainfall instead. Reference:Asadi Zarch, M. A., B. Sivakumar, and A. Sharma (2015), Droughts in a warming climate: A global assessment of Standardized precipitation index (SPI) and Reconnaissance drought index (RDI), Journal of Hydrology, 526, 183-195. Mehrotra, R., and A. Sharma (2016), A Multivariate Quantile-Matching Bias Correction Approach with Auto- and Cross-Dependence across Multiple Time Scales: Implications for Downscaling, Journal of Climate, 29(10), 3519-3539. Sharma, A., and R. Mehrotra (2014), An information theoretic alternative to model a natural system using observational information alone, Water Resources Research, 50, 650-660, doi:10.1002/2013WR013845.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1221954-simulation-atomic-diffusion-fcc-nial-system-kinetic-monte-carlo-study','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1221954-simulation-atomic-diffusion-fcc-nial-system-kinetic-monte-carlo-study"><span>Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Alfonso, Dominic R.; Tafen, De Nyago</p> <p>2015-04-28</p> <p>The atomic diffusion in fcc NiAl binary alloys was studied by kinetic Monte Carlo simulation. The environment dependent hopping barriers were computed using a pair interaction model whose parameters were fitted to relevant data derived from electronic structure calculations. Long time diffusivities were calculated and the effect of composition change on the tracer diffusion coefficients was analyzed. These results indicate that this variation has noticeable impact on the atomic diffusivities. A reduction in the mobility of both Ni and Al is demonstrated with increasing Al content. As a result, examination of the pair interaction between atoms was carried out formore » the purpose of understanding the predicted trends.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014PhLRv..11..280G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014PhLRv..11..280G"><span>Modelling language evolution: Examples and predictions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gong, Tao; Shuai, Lan; Zhang, Menghan</p> <p>2014-06-01</p> <p>We survey recent computer modelling research of language evolution, focusing on a rule-based model simulating the lexicon-syntax coevolution and an equation-based model quantifying the language competition dynamics. We discuss four predictions of these models: (a) correlation between domain-general abilities (e.g. sequential learning) and language-specific mechanisms (e.g. word order processing); (b) coevolution of language and relevant competences (e.g. joint attention); (c) effects of cultural transmission and social structure on linguistic understandability; and (d) commonalities between linguistic, biological, and physical phenomena. All these contribute significantly to our understanding of the evolutions of language structures, individual learning mechanisms, and relevant biological and socio-cultural factors. We conclude the survey by highlighting three future directions of modelling studies of language evolution: (a) adopting experimental approaches for model evaluation; (b) consolidating empirical foundations of models; and (c) multi-disciplinary collaboration among modelling, linguistics, and other relevant disciplines.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20120000448','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20120000448"><span>Spacecraft Guidance, Navigation, and Control Visualization Tool</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Mandic, Milan; Acikmese, Behcet; Blackmore, Lars</p> <p>2011-01-01</p> <p>G-View is a 3D visualization tool for supporting spacecraft guidance, navigation, and control (GN&C) simulations relevant to small-body exploration and sampling (see figure). The tool is developed in MATLAB using Virtual Reality Toolbox and provides users with the ability to visualize the behavior of their simulations, regardless of which programming language (or machine) is used to generate simulation results. The only requirement is that multi-body simulation data is generated and placed in the proper format before applying G-View.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li class="active"><span>13</span></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_13 --> <div id="page_14" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li class="active"><span>14</span></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="261"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016SPIE.9991E..0BZ','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016SPIE.9991E..0BZ"><span>Studies of air traffic forecasts, airspace load and the effect of ADS-B via satellites on flight times</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhong, Z. W.; Ridhwan Salleh, Saiful; Chow, W. X.; Ong, Z. M.</p> <p>2016-10-01</p> <p>Air traffic forecasting is important as it helps stakeholders to plan their budgets and facilities. Thus, three most commonly used forecasting models were compared to see which model suited the air passenger traffic the best. General forecasting equations were also created to forecast the passenger traffic. The equations could forecast around 6.0% growth from 2015 onwards. Another study sought to provide an initial work for determining a theoretical airspace load with relevant calculations. The air traffic was simulated to investigate the current airspace load. Logical and reasonable results were obtained from the modelling and simulations. The current utilization percentages for airspace load per hour and the static airspace load in the interested airspace were found to be 6.64% and 11.21% respectively. Our research also studied how ADS-B would affect the time taken for aircraft to travel. 6000 flights departing from and landing at the airport were studied. New flight plans were simulated with improved flight paths due to the implementation of ADS-B, and flight times of all studied flights could be improved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012AGUFMGC41D..02B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012AGUFMGC41D..02B"><span>Evaluating the Relevance, Reliability, and Applicability of CMIP5 Climate Projections for Water Resources and Environmental Planning</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Brekke, L. D.; Scott, J.; Ferguson, I. M.; Arnold, J.; Raff, D. A.; Webb, R. S.</p> <p>2012-12-01</p> <p>Water managers need to understand the applicability of climate projection information available for decision-support at the scale of their applications. Applicability depends on information reliability and relevance. This need to understand applicability stems from expectations that entities rationalize adaptation investments or decisions to delay investment. It is also occurring at a time when new global climate projections are being released through the World Climate Research Programme Coupled Model Intercomparison Project phase 5 (CMIP5), which introduces new information opportunities and interpretation challenges. This project involves an interagency collaboration to evaluate the applicability of CMIP5 projections for use in water and environmental resources planning. The overarching goal is to develop and demonstrate a framework that involves dual evaluations of relevance and reliability informing an ultimate discussion and judgment of applicability, which is expected to vary with decision-making context. The framework is being developed and demonstrated within the context of reservoir systems management in California's Sacramento and San Joaquin River basins. The relevance evaluation focuses on identifying the climate variables and statistical measures relevant to long-term management questions, which may depend on satisfying multiple objectives. Past studies' results are being considered in this evaluation, along with new results from system sensitivity analyses conducted through this effort. The reliability evaluation focuses on the CMIP5 climate models' ability to simulate past conditions relative to observed references. The evaluation is being conducted across the global domain using a large menu of climate variables and statistical measures, leveraging lessons learned from similar evaluations of CMIP3 climate models. The global focus addresses a broader project goal of producing a web resource that can serve reliability information to applicability discussions around the world, with evaluation results being served through a web-portal similar to that developed by NOAA/CIRES to serve CMIP3 information on future climate extremes (http://www.esrl.noaa.gov/psd/ipcc/extremes/). The framework concludes with an applicability discussion informed by relevance and reliability results. The goal is to observe the discussion process and identify features, choice points, and challenges that might be summarized and shared with other resource management groups facing applicability questions. This presentation will discuss the project framework and preliminary results. In addition to considering CMIP5 21st century projection information, the framework is being developed to support evaluation of CMIP5 decadal predictability experiment simulations and reconcile those simulations with 21st century projections. The presentation will also discuss implications of considering the applicability of bias-corrected and downscaled information within this framework.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018PSST...27f4003F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018PSST...27f4003F"><span>Microscopic modeling of gas-surface scattering. I. A combined molecular dynamics-rate equation approach</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Filinov, A.; Bonitz, M.; Loffhagen, D.</p> <p>2018-06-01</p> <p>A combination of first principle molecular dynamics (MD) simulations with a rate equation model (MD-RE approach) is presented to study the trapping and the scattering of rare gas atoms from metal surfaces. The temporal evolution of the atom fractions that are either adsorbed or scattered into the continuum is investigated in detail. We demonstrate that for this description one has to consider trapped, quasi-trapped and scattering states, and present an energetic definition of these states. The rate equations contain the transition probabilities between the states. We demonstrate how these rate equations can be derived from kinetic theory. Moreover, we present a rigorous way to determine the transition probabilities from a microscopic analysis of the particle trajectories generated by MD simulations. Once the system reaches quasi-equilibrium, the rates converge to stationary values, and the subsequent thermal adsorption/desorption dynamics is completely described by the rate equations without the need to perform further time-consuming MD simulations. As a proof of concept of our approach, MD simulations for argon atoms interacting with a platinum (111) surface are presented. A detailed deterministic trajectory analysis is performed, and the transition rates are constructed. The dependence of the rates on the incidence conditions and the lattice temperature is analyzed. Based on this example, we analyze the time scale of the gas-surface system to approach the quasi-stationary state. The MD-RE model has great relevance for the plasma-surface modeling as it makes an extension of accurate simulations to long, experimentally relevant time scales possible. Its application to the computation of atomic sticking probabilities is given in the second part (paper II).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017APS..DFDA10003R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017APS..DFDA10003R"><span>Numerical Simulations Of Flagellated Micro-Swimmers</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rorai, Cecilia; Markesteijn, Anton; Zaitstev, Mihail; Karabasov, Sergey</p> <p>2017-11-01</p> <p>We study flagellated microswimmers locomotion by representing the entire swimmer body. We discuss and contrast the accuracy and computational cost of different numerical approaches including the Resistive Force Theory, the Regularized Stokeslet Method and the Finite Element Method. We focus on how the accuracy of the methods in reproducing the swimming trajectories, velocities and flow field, compares to the sensitivity of these quantities to certain physical parameters, such as the body shape and the location of the center of mass. We discuss the opportunity and physical relevance of retaining inertia in our models. Finally, we present some preliminary results toward collective motion simulations. Marie Skodowska-Curie Individual Fellowship.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25721452','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25721452"><span>Force-Sensing Enhanced Simulation Environment (ForSense) for laparoscopic surgery training and assessment.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cundy, Thomas P; Thangaraj, Evelyn; Rafii-Tari, Hedyeh; Payne, Christopher J; Azzie, Georges; Sodergren, Mikael H; Yang, Guang-Zhong; Darzi, Ara</p> <p>2015-04-01</p> <p>Excessive or inappropriate tissue interaction force during laparoscopic surgery is a recognized contributor to surgical error, especially for robotic surgery. Measurement of force at the tool-tissue interface is, therefore, a clinically relevant skill assessment variable that may improve effectiveness of surgical simulation. Popular box trainer simulators lack the necessary technology to measure force. The aim of this study was to develop a force sensing unit that may be integrated easily with existing box trainer simulators and to (1) validate multiple force variables as objective measurements of laparoscopic skill, and (2) determine concurrent validity of a revised scoring metric. A base plate unit sensitized to a force transducer was retrofitted to a box trainer. Participants of 3 different levels of operative experience performed 5 repetitions of a peg transfer and suture task. Multiple outcome variables of force were assessed as well as a revised scoring metric that incorporated a penalty for force error. Mean, maximum, and overall magnitudes of force were significantly different among the 3 levels of experience, as well as force error. Experts were found to exert the least force and fastest task completion times, and vice versa for novices. Overall magnitude of force was the variable most correlated with experience level and task completion time. The revised scoring metric had similar predictive strength for experience level compared with the standard scoring metric. Current box trainer simulators can be adapted for enhanced objective measurements of skill involving force sensing. These outcomes are significantly influenced by level of expertise and are relevant to operative safety in laparoscopic surgery. Conventional proficiency standards that focus predominantly on task completion time may be integrated with force-based outcomes to be more accurately reflective of skill quality. Copyright © 2015 Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JChPh.148d1102C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JChPh.148d1102C"><span>Communication: Modeling electrolyte mixtures with concentration dependent dielectric permittivity</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chen, Hsieh; Panagiotopoulos, Athanassios Z.</p> <p>2018-01-01</p> <p>We report a new implicit-solvent simulation model for electrolyte mixtures based on the concept of concentration dependent dielectric permittivity. A combining rule is found to predict the dielectric permittivity of electrolyte mixtures based on the experimentally measured dielectric permittivity for pure electrolytes as well as the mole fractions of the electrolytes in mixtures. Using grand canonical Monte Carlo simulations, we demonstrate that this approach allows us to accurately reproduce the mean ionic activity coefficients of NaCl in NaCl-CaCl2 mixtures at ionic strengths up to I = 3M. These results are important for thermodynamic studies of geologically relevant brines and physiological fluids.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/920420','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/920420"><span>Coupling Schemes for Multiphysics Reactor Simulation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Vijay Mahadeven; Jean Ragusa</p> <p>2007-11-01</p> <p>This report documents the progress of the student Vijay S. Mahadevan from the Nuclear Engineering Department of Texas A&M University over the summer of 2007 during his visit to the INL. The purpose of his visit was to investigate the physics-based preconditioned Jacobian-free Newton-Krylov method applied to physics relevant to nuclear reactor simulation. To this end he studied two test problems that represented reaction-diffusion and advection-reaction. These two test problems will provide the basis for future work in which neutron diffusion, nonlinear heat conduction, and a twophase flow model will be tightly coupled to provide an accurate model of amore » BWR core.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016APS..DPPN10085T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016APS..DPPN10085T"><span>Controlling Laser Plasma Instabilities Using Temporal Bandwidth</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tsung, Frank; Weaver, J.; Lehmberg, R.</p> <p>2016-10-01</p> <p>We are performing particle-in-cell simulations using the code OSIRIS to study the effects of laser plasma interactions in the presence of temporal bandwidth under conditions relevant to current and future experiments on the NIKE laser. Our simulations show that, for sufficiently large bandwidth (where the inverse bandwidth is comparable with the linear growth time), the saturation level, and the distribution of hot electrons, can be effected by the addition of temporal bandwidths (which can be accomplished in experiments using beam smoothing techniques such as ISI). We will quantify these effects and investigate higher dimensional effects such as laser speckles. This work is supported by DOE and NRL.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/17714975','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/17714975"><span>Computational representation and hemodynamic characterization of in vivo acquired severe stenotic renal artery geometries using turbulence modeling.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kagadis, George C; Skouras, Eugene D; Bourantas, George C; Paraskeva, Christakis A; Katsanos, Konstantinos; Karnabatidis, Dimitris; Nikiforidis, George C</p> <p>2008-06-01</p> <p>The present study reports on computational fluid dynamics in the case of severe renal artery stenosis (RAS). An anatomically realistic model of a renal artery was reconstructed from CT scans, and used to conduct CFD simulations of blood flow across RAS. The recently developed shear stress transport (SST) turbulence model was pivotally applied in the simulation of blood flow in the region of interest. Blood flow was studied in vivo under the presence of RAS and subsequently in simulated cases before the development of RAS, and after endovascular stent implantation. The pressure gradients in the RAS case were many orders of magnitude larger than in the healthy case. The presence of RAS increased flow resistance, which led to considerably lower blood flow rates. A simulated stent in place of the RAS decreased the flow resistance at levels proportional to, and even lower than, the simulated healthy case without the RAS. The wall shear stresses, differential pressure profiles, and net forces exerted on the surface of the atherosclerotic plaque at peak pulse were shown to be of relevant high distinctiveness, so as to be considered potential indicators of hemodynamically significant RAS.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2842011','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=2842011"><span>Chemical Frustration in the Protein Folding Landscape: Grand Canonical Ensemble Simulations of Cytochrome c</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Weinkam, Patrick; Romesberg, Floyd E.; Wolynes, Peter G.</p> <p>2010-01-01</p> <p>A grand canonical formalism is developed to combine discrete simulations for chemically distinct species in equilibrium. Each simulation is based on a perturbed funneled landscape. The formalism is illustrated using the alkaline-induced transitions of cytochrome c as observed by FTIR spectroscopy and with various other experimental approaches. The grand canonical simulation method accounts for the acid/base chemistry of deprotonation, the inorganic chemistry of heme ligation and misligation, and the minimally frustrated folding energy landscape, thus elucidating the physics of protein folding involved with an acid/base titration of a protein. The formalism combines simulations for each of the relevant chemical species, varying by protonation and ligation states. In contrast to models based on perfectly funneled energy landscapes that contain only contacts found in the native structure, the current study introduces “chemical frustration” from deprotonation and misligation that gives rise to many intermediates at alkaline pH. While the nature of these intermediates cannot be easily inferred from available experimental data, the current study provides specific structural details of these intermediates thus extending our understanding of how cytochrome c changes with increasing pH. The results demonstrate the importance of chemical frustration for understanding biomolecular energy landscapes. PMID:19199810</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4342503','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4342503"><span>Review of the fundamental theories behind small angle X-ray scattering, molecular dynamics simulations, and relevant integrated application</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Boldon, Lauren; Laliberte, Fallon; Liu, Li</p> <p>2015-01-01</p> <p>In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS) experiments, molecular dynamics (MD) simulations, and MD-SAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics’ equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques. PMID:25721341</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27060102','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27060102"><span>A brief simulation intervention increasing basic science and clinical knowledge.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sheakley, Maria L; Gilbert, Gregory E; Leighton, Kim; Hall, Maureen; Callender, Diana; Pederson, David</p> <p>2016-01-01</p> <p>The United States Medical Licensing Examination (USMLE) is increasing clinical content on the Step 1 exam; thus, inclusion of clinical applications within the basic science curriculum is crucial. Including simulation activities during basic science years bridges the knowledge gap between basic science content and clinical application. To evaluate the effects of a one-off, 1-hour cardiovascular simulation intervention on a summative assessment after adjusting for relevant demographic and academic predictors. This study was a non-randomized study using historical controls to evaluate curricular change. The control group received lecture (n l=515) and the intervention group received lecture plus a simulation exercise (n l+s=1,066). Assessment included summative exam questions (n=4) that were scored as pass/fail (≥75%). USMLE-style assessment questions were identical for both cohorts. Descriptive statistics for variables are presented and odds of passage calculated using logistic regression. Undergraduate grade point ratio, MCAT-BS, MCAT-PS, age, attendance at an academic review program, and gender were significant predictors of summative exam passage. Students receiving the intervention were significantly more likely to pass the summative exam than students receiving lecture only (P=0.0003). Simulation plus lecture increases short-term understanding as tested by a written exam. A longitudinal study is needed to assess the effect of a brief simulation intervention on long-term retention of clinical concepts in a basic science curriculum.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28165950','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28165950"><span>A brief simulation intervention increasing basic science and clinical knowledge.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sheakley, Maria L; Gilbert, Gregory E; Leighton, Kim; Hall, Maureen; Callender, Diana; Pederson, David</p> <p>2016-01-01</p> <p>Background The United States Medical Licensing Examination (USMLE) is increasing clinical content on the Step 1 exam; thus, inclusion of clinical applications within the basic science curriculum is crucial. Including simulation activities during basic science years bridges the knowledge gap between basic science content and clinical application. Purpose To evaluate the effects of a one-off, 1-hour cardiovascular simulation intervention on a summative assessment after adjusting for relevant demographic and academic predictors. Methods This study was a non-randomized study using historical controls to evaluate curricular change. The control group received lecture (n l =515) and the intervention group received lecture plus a simulation exercise (n l+s =1,066). Assessment included summative exam questions (n=4) that were scored as pass/fail (≥75%). USMLE-style assessment questions were identical for both cohorts. Descriptive statistics for variables are presented and odds of passage calculated using logistic regression. Results Undergraduate grade point ratio, MCAT-BS, MCAT-PS, age, attendance at an academic review program, and gender were significant predictors of summative exam passage. Students receiving the intervention were significantly more likely to pass the summative exam than students receiving lecture only (P=0.0003). Discussion Simulation plus lecture increases short-term understanding as tested by a written exam. A longitudinal study is needed to assess the effect of a brief simulation intervention on long-term retention of clinical concepts in a basic science curriculum.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26077541','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26077541"><span>Pyrite in contact with supercritical water: the desolation of steam.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Stirling, András; Rozgonyi, Tamás; Krack, Matthias; Bernasconi, Marco</p> <p>2015-07-14</p> <p>The supercritical water-pyrite interface has been studied by ab initio molecular dynamics simulation. Extreme conditions are relevant in the iron-sulfur world (ISW) theory where prebiotic chemical reactions are postulated to occur at the mineral-water interface. We have investigated the properties of this interface under such conditions. We have come to the conclusion that hot-pressurized water on pyrite leads to an interface where a dry pyrite surface is in contact with the nearby SC water without significant chemical interactions. This picture is markedly different from that under ambient conditions where the surface is fully covered with adsorbed water molecules which is of relevance for the surface reactions of the ISW hypothesis.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017APS..DFDQ10004M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017APS..DFDQ10004M"><span>Computational Study of Droplet Trains Impacting a Smooth Solid Surface</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Markt, David, Jr.; Pathak, Ashish; Raessi, Mehdi; Lee, Seong-Young; Zhao, Emma</p> <p>2017-11-01</p> <p>The study of droplet impingement is vital to understanding the fluid dynamics of fuel injection in modern internal combustion engines. One widely accepted model was proposed by Yarin and Weiss (JFM, 1995), developed from experiments of single trains of ethanol droplets impacting a substrate. The model predicts the onset of splashing and the mass ejected upon splashing. In this study, using an in-house 3D multiphase flow solver, the experiments of Yarin and Weiss were computationally simulated. The experimentally observed splashing threshold was captured by the simulations, thus validating the solver's ability to accurately simulate the splashing dynamics. Then, we performed simulations of cases with multiple droplet trains, which have high relevance to dense fuel sprays, where droplets impact within the spreading diameters of their neighboring droplets, leading to changes in splashing dynamics due to interactions of spreading films. For both single and multi-train simulations the amount of splashed mass was calculated as a function of time, allowing a quantitative comparison between the two cases. Furthermore, using a passive scalar the amount of splashed mass per impinging droplet was also calculated. This work is supported by the Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE) and the Department of Defense, Tank and Automotive Research, Development, and Engineering Center (TARDEC), under Award Number DE-EE0007292.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013JMoSt1045..124W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013JMoSt1045..124W"><span>Similarities and differences of serotonin and its precursors in their interactions with model membranes studied by molecular dynamics simulation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wood, Irene; Martini, M. Florencia; Pickholz, Mónica</p> <p>2013-08-01</p> <p>In this work, we report a molecular dynamics (MD) simulations study of relevant biological molecules as serotonin (neutral and protonated) and its precursors, tryptophan and 5-hydroxy-tryptophan, in a fully hydrated bilayer of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidyl-choline (POPC). The simulations were carried out at the fluid lamellar phase of POPC at constant pressure and temperature conditions. Two guest molecules of each type were initially placed at the water phase. We have analyzed, the main localization, preferential orientation and specific interactions of the guest molecules within the bilayer. During the simulation run, the four molecules were preferentially found at the water-lipid interphase. We found that the interactions that stabilized the systems are essentially hydrogen bonds, salt bridges and cation-π. None of the guest molecules have access to the hydrophobic region of the bilayer. Besides, zwitterionic molecules have access to the water phase, while protonated serotonin is anchored in the interphase. Even taking into account that these simulations were done using a model membrane, our results suggest that the studied molecules could not cross the blood brain barrier by diffusion. These results are in good agreement with works that show that serotonin and Trp do not cross the BBB by simple diffusion.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20020071144','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20020071144"><span>Theoretical Studies of Liquid He-4 Near the Superfluid Transition</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Manousakis, Efstratios</p> <p>2002-01-01</p> <p>We performed theoretical studies of liquid helium by applying state of the art simulation and finite-size scaling techniques. We calculated universal scaling functions for the specific heat and superfluid density for various confining geometries relevant for experiments such as the confined helium experiment and other ground based studies. We also studied microscopically how the substrate imposes a boundary condition on the superfluid order parameter as the superfluid film grows layer by layer. Using path-integral Monte Carlo, a quantum Monte Carlo simulation method, we investigated the rich phase diagram of helium monolayer, bilayer and multilayer on a substrate such as graphite. We find excellent agreement with the experimental results using no free parameters. Finally, we carried out preliminary calculations of transport coefficients such as the thermal conductivity for bulk or confined helium systems and of their scaling properties. All our studies provide theoretical support for various experimental studies in microgravity.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://files.eric.ed.gov/fulltext/EJ1024354.pdf','ERIC'); return false;" href="http://files.eric.ed.gov/fulltext/EJ1024354.pdf"><span>Design and Implementation of a Simulation-Based Learning System for International Trade</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Luo, Guo-Heng; Liu, Eric Zhi-Feng; Kuo, Hung-Wei; Yuan, Shyan-Ming</p> <p>2014-01-01</p> <p>In the traditional instructional method used in international trade, teachers provide knowledge to learners by lecturing using slides and setting assignments; however, these methods merely deliver international trade knowledge rather than facilitating student development of relevant skills. To solve these problems, we proposed a simulation-based…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://rosap.ntl.bts.gov/view/dot/9300','DOTNTL'); return false;" href="https://rosap.ntl.bts.gov/view/dot/9300"><span>Simulation of the air traffic control radar beacon system (soar) with application to a discrete address beacon system volume II: appendixes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntlsearch.bts.gov/tris/index.do">DOT National Transportation Integrated Search</a></p> <p></p> <p>1975-04-01</p> <p>The report describes a computer simulation of the Air Traffic Control Radar Beacon System (ATCRBS). Operating on real air traffic data and actual characteristics of the relevant ground interrogators, the FORTRAN program re-enacts system operation in ...</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://cfpub.epa.gov/si/si_public_record_report.cfm?dirEntryId=87413&keyword=Lagrangian&actType=&TIMSType=+&TIMSSubTypeID=&DEID=&epaNumber=&ntisID=&archiveStatus=Both&ombCat=Any&dateBeginCreated=&dateEndCreated=&dateBeginPublishedPresented=&dateEndPublishedPresented=&dateBeginUpdated=&dateEndUpdated=&dateBeginCompleted=&dateEndCompleted=&personID=&role=Any&journalID=&publisherID=&sortBy=revisionDate&count=50','EPA-EIMS'); return false;" href="https://cfpub.epa.gov/si/si_public_record_report.cfm?dirEntryId=87413&keyword=Lagrangian&actType=&TIMSType=+&TIMSSubTypeID=&DEID=&epaNumber=&ntisID=&archiveStatus=Both&ombCat=Any&dateBeginCreated=&dateEndCreated=&dateBeginPublishedPresented=&dateEndPublishedPresented=&dateBeginUpdated=&dateEndUpdated=&dateBeginCompleted=&dateEndCompleted=&personID=&role=Any&journalID=&publisherID=&sortBy=revisionDate&count=50"><span>SIMULATIONS OF AEROSOLS AND PHOTOCHEMICAL SPECIES WITH THE CMAQ PLUME-IN-GRID MODELING SYSTEM</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://oaspub.epa.gov/eims/query.page">EPA Science Inventory</a></p> <p></p> <p></p> <p>A plume-in-grid (PinG) method has been an integral component of the CMAQ modeling system and has been designed in order to realistically simulate the relevant processes impacting pollutant concentrations in plumes released from major point sources. In particular, considerable di...</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li class="active"><span>14</span></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_14 --> <div id="page_15" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li class="active"><span>15</span></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="281"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://rosap.ntl.bts.gov/view/dot/9070','DOTNTL'); return false;" href="https://rosap.ntl.bts.gov/view/dot/9070"><span>Simulation of the Air Traffic Control Radar Beacon System (SOAR) with application to a Discrete Address Beacon System. Volume 1 : text</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntlsearch.bts.gov/tris/index.do">DOT National Transportation Integrated Search</a></p> <p></p> <p>1975-04-01</p> <p>The report describes a computer simulation of the Air Traffic Control Radar Beacon System (ATCRBS). Operating on real air traffic data and actual characteristics of the relevant ground interrogators, the FORTRAN program re-enacts system operation in ...</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=health+AND+environment&pg=6&id=EJ1145767','ERIC'); return false;" href="https://eric.ed.gov/?q=health+AND+environment&pg=6&id=EJ1145767"><span>Establishing a "Centre for Engineering Experimentation and Design Simulation": A Step towards Restructuring Engineering Education in India</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Venkateswarlu, P.</p> <p>2017-01-01</p> <p>Reforms in undergraduate engineering curriculum to produce engineers with entrepreneurial skills should address real-world problems relevant to industry and society with active industry support. Technology-assisted, hands-on projects involving experimentation, design simulation and prototyping will transform graduates into professionals with…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25584468','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25584468"><span>A review of training research and virtual reality simulators for the da Vinci surgical system.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Liu, May; Curet, Myriam</p> <p>2015-01-01</p> <p>PHENOMENON: Virtual reality simulators are the subject of several recent studies of skills training for robot-assisted surgery. Yet no consensus exists regarding what a core skill set comprises or how to measure skill performance. Defining a core skill set and relevant metrics would help surgical educators evaluate different simulators. This review draws from published research to propose a core technical skill set for using the da Vinci surgeon console. Publications on three commercial simulators were used to evaluate the simulators' content addressing these skills and associated metrics. An analysis of published research suggests that a core technical skill set for operating the surgeon console includes bimanual wristed manipulation, camera control, master clutching to manage hand position, use of third instrument arm, activating energy sources, appropriate depth perception, and awareness of forces applied by instruments. Validity studies of three commercial virtual reality simulators for robot-assisted surgery suggest that all three have comparable content and metrics. However, none have comprehensive content and metrics for all core skills. INSIGHTS: Virtual reality simulation remains a promising tool to support skill training for robot-assisted surgery, yet existing commercial simulator content is inadequate for performing and assessing a comprehensive basic skill set. The results of this evaluation help identify opportunities and challenges that exist for future developments in virtual reality simulation for robot-assisted surgery. Specifically, the inclusion of educational experts in the development cycle alongside clinical and technological experts is recommended.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017IJBm...61.1519K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017IJBm...61.1519K"><span>Comparison of fabric skins for the simulation of sweating on thermal manikins</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Koelblen, Barbara; Psikuta, Agnes; Bogdan, Anna; Annaheim, Simon; Rossi, René M.</p> <p>2017-09-01</p> <p>Sweating is an important thermoregulatory process helping to dissipate heat and, thus, to prevent overheating of the human body. Simulations of human thermo-physiological responses in hot conditions or during exercising are helpful for assessing heat stress; however, realistic sweating simulation and evaporative cooling is needed. To this end, thermal manikins dressed with a tight fabric skin can be used, and the properties of this skin should help human-like sweat evaporation simulation. Four fabrics, i.e., cotton with elastane, polyester, polyamide with elastane, and a skin provided by a manikin manufacturer (Thermetrics) were compared in this study. The moisture management properties of the fabrics have been investigated in basic tests with regard to all phases of sweating relevant for simulating human thermo-physiological responses, namely, onset of sweating, fully developed sweating, and drying. The suitability of the fabrics for standard tests, such as clothing evaporative resistance measurements, was evaluated based on tests corresponding to the middle phase of sweating. Simulations with a head manikin coupled to a thermo-physiological model were performed to evaluate the overall performance of the skins. The results of the study showed that three out of four evaluated fabrics have adequate moisture management properties with regard to the simulation of sweating, which was confirmed in the coupled simulation with the head manikin. The presented tests are helpful for comparing the efficiency of different fabrics to simulate sweat-induced evaporative cooling on thermal manikins.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28498143','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28498143"><span>The Crucible simulation: Behavioral simulation improves clinical leadership skills and understanding of complex health policy change.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cohen, Daniel; Vlaev, Ivo; McMahon, Laurie; Harvey, Sarah; Mitchell, Andy; Borovoi, Leah; Darzi, Ara</p> <p>2017-05-11</p> <p>The Health and Social Care Act 2012 represents the most complex National Health Service reforms in history. High-quality clinical leadership is important for successful implementation of health service reform. However, little is known about the effectiveness of current leadership training. This study describes the use of a behavioral simulation to improve the knowledge and leadership of a cohort of medical doctors expected to take leadership roles in the National Health Service. A day-long behavioral simulation (The Crucible) was developed and run based on a fictitious but realistic health economy. Participants completed pre- and postsimulation questionnaires generating qualitative and quantitative data. Leadership skills, knowledge, and behavior change processes described by the "theory of planned behavior" were self-assessed pre- and postsimulation. Sixty-nine medical doctors attended. Participants deemed the simulation immersive and relevant. Significant improvements were shown in perceived knowledge, capability, attitudes, subjective norms, intentions, and leadership competency following the program. Nearly one third of participants reported that they had implemented knowledge and skills from the simulation into practice within 4 weeks. This study systematically demonstrates the effectiveness of behavioral simulation for clinical management training and understanding of health policy reform. Potential future uses and strategies for analysis are discussed. High-quality care requires understanding of health systems and strong leadership. Policymakers should consider the use of behavioral simulation to improve understanding of health service reform and development of leadership skills in clinicians, who readily adopt skills from simulation into everyday practice.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23200194','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23200194"><span>Using a million cell simulation of the cerebellum: network scaling and task generality.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Li, Wen-Ke; Hausknecht, Matthew J; Stone, Peter; Mauk, Michael D</p> <p>2013-11-01</p> <p>Several factors combine to make it feasible to build computer simulations of the cerebellum and to test them in biologically realistic ways. These simulations can be used to help understand the computational contributions of various cerebellar components, including the relevance of the enormous number of neurons in the granule cell layer. In previous work we have used a simulation containing 12000 granule cells to develop new predictions and to account for various aspects of eyelid conditioning, a form of motor learning mediated by the cerebellum. Here we demonstrate the feasibility of scaling up this simulation to over one million granule cells using parallel graphics processing unit (GPU) technology. We observe that this increase in number of granule cells requires only twice the execution time of the smaller simulation on the GPU. We demonstrate that this simulation, like its smaller predecessor, can emulate certain basic features of conditioned eyelid responses, with a slight improvement in performance in one measure. We also use this simulation to examine the generality of the computation properties that we have derived from studying eyelid conditioning. We demonstrate that this scaled up simulation can learn a high level of performance in a classic machine learning task, the cart-pole balancing task. These results suggest that this parallel GPU technology can be used to build very large-scale simulations whose connectivity ratios match those of the real cerebellum and that these simulations can be used guide future studies on cerebellar mediated tasks and on machine learning problems. Copyright © 2012 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1339148-plasmonic-metallurgy-enabled-dna','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1339148-plasmonic-metallurgy-enabled-dna"><span>Plasmonic Metallurgy Enabled by DNA</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Ross, Michael B.; Ku, Jessie C.; Lee, Byeongdu; ...</p> <p>2016-02-05</p> <p>In this study, mixed silver and gold plasmonic nanoparticle architectures are synthesized using DNA-programmable assembly, unveiling exquisitely tunable optical properties that are predicted and explained both by effective thin-film models and explicit electrodynamic simulations. These data demonstrate that the manner and ratio with which multiple metallic components are arranged can greatly alter optical properties, including tunable color and asymmetric reflectivity behavior of relevance for thin-film applications.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014SPIE.9122E..0JS','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014SPIE.9122E..0JS"><span>Using cognitive architectures to study issues in team cognition in a complex task environment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Smart, Paul R.; Sycara, Katia; Tang, Yuqing</p> <p>2014-05-01</p> <p>Cognitive social simulation is a computer simulation technique that aims to improve our understanding of the dynamics of socially-situated and socially-distributed cognition. This makes cognitive social simulation techniques particularly appealing as a means to undertake experiments into team cognition. The current paper reports on the results of an ongoing effort to develop a cognitive social simulation capability that can be used to undertake studies into team cognition using the ACT-R cognitive architecture. This capability is intended to support simulation experiments using a team-based problem solving task, which has been used to explore the effect of different organizational environments on collective problem solving performance. The functionality of the ACT-R-based cognitive social simulation capability is presented and a number of areas of future development work are outlined. The paper also describes the motivation for adopting cognitive architectures in the context of social simulation experiments and presents a number of research areas where cognitive social simulation may be useful in developing a better understanding of the dynamics of team cognition. These include the use of cognitive social simulation to study the role of cognitive processes in determining aspects of communicative behavior, as well as the impact of communicative behavior on the shaping of task-relevant cognitive processes (e.g., the social shaping of individual and collective memory as a result of communicative exchanges). We suggest that the ability to perform cognitive social simulation experiments in these areas will help to elucidate some of the complex interactions that exist between cognitive, social, technological and informational factors in the context of team-based problem-solving activities.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19870005211','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19870005211"><span>A numerical study of incompressible juncture flows</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Kwak, D.; Rogers, S. E.; Kaul, U. K.; Chang, J. L. C.</p> <p>1986-01-01</p> <p>The laminar, steady juncture flow around single or multiple posts mounted between two flat plates is simulated using the three dimensional incompressible Navier-Stokes code, INS3D. The three dimensional separation of the boundary layer and subsequent formation and development of the horseshoe vortex is computed. The computed flow compares favorably with the experimental observation. The recent numerical study to understand and quantify the juncture flow relevant to the Space Shuttle main engine power head is summarized.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017APS..DPPN11145T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017APS..DPPN11145T"><span>Current Driven Instabilities and Anomalous Mobility in Hall-effect Thrusters</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tran, Jonathan; Eckhardt, Daniel; Martin, Robert</p> <p>2017-10-01</p> <p>Due to the extreme cost of fully resolving the Debye length and plasma frequency, hybrid plasma simulations utilizing kinetic ions and quasi-steady state fluid electrons have long been the principle workhorse methodology for Hall-effect thruster (HET) modeling. Plasma turbulence and the resulting anomalous electron transport in HETs is a promising candidate for developing predictive models for the observed anomalous transport. In this work, we investigate the implementation of an anomalous electron cross field transport model for hybrid HET simulations such a HPHall. A theory for anomalous transport in HETs and current driven instabilities has been recently studied by Lafleur et al. This work has shown collective electron-wave scattering due to large amplitude azimuthal fluctuations of the electric field. We will further adapt the previous results for related current driven instabilities to electric propulsion relevant mass ratios and conduct a preliminary study of resolving this instability with a modified hybrid (fluid electron and kinetic ion) simulation with the hope of integration with established hybrid HET simulations. This work is supported by the Air Force Office of Scientific Research award FA9950-17RQCOR465.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2003AsBio...3..761G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2003AsBio...3..761G"><span>Physical Simulation for Low-Energy Astrobiology Environmental Scenarios</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gormly, Sherwin; Adams, V. D.; Marchand, Eric</p> <p>2003-12-01</p> <p>Speculations about the extent of life of independent origin and the potential for sustaining Earth-based life in subsurface environments on both Europa and Mars are of current and relevant interest. Theoretical modeling based on chemical energetics has demonstrated potential options for viable biochemical metabolism (metabolic pathways) in these types of environments. Also, similar environments on Earth show microbial activity. However, actual physical simulation testing of specific environments is required to confidently determine the interplay of various physical and chemical parameters on the viability of relevant metabolic pathways. This testing is required to determine the potential to sustain life in these environments on a specific scenario by scenario basis. This study examines the justification, design, and fabrication of, as well as the culture selection and screening for, a psychrophilic/halophilic/anaerobic digester. This digester is specifically designed to conform to physical testing needs of research relating to potential extent physical environments on Europa and other planetary bodies in the Solar System. The study is a long-term effort and is currently in an early phase, with only screening-level data at this time. Full study results will likely take an additional 2 years. However, researchers in electromagnetic biosignature and in situ instrument development should be aware of the study at this time, as they are invited to participate in planning for future applications of the digester facility.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20130009566','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20130009566"><span>Preparation of a Frozen Regolith Simulant Bed for ISRU Component Testing in a Vacuum Chamber</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Klenhenz, Julie; Linne, Diane</p> <p>2013-01-01</p> <p>In-Situ Resource Utilization (ISRU) systems and components have undergone extensive laboratory and field tests to expose hardware to relevant soil environments. The next step is to combine these soil environments with relevant pressure and temperature conditions. Previous testing has demonstrated how to incorporate large bins of unconsolidated lunar regolith into sufficiently sized vacuum chambers. In order to create appropriate depth dependent soil characteristics that are needed to test drilling operations for the lunar surface, the regolith simulant bed must by properly compacted and frozen. While small cryogenic simulant beds have been created for laboratory tests, this scale effort will allow testing of a full 1m drill which has been developed for a potential lunar prospector mission. Compacted bulk densities were measured at various moisture contents for GRC-3 and Chenobi regolith simulants. Vibrational compaction methods were compared with the previously used hammer compaction, or "Proctor", method. All testing was done per ASTM standard methods. A full 6.13 m3 simulant bed with 6 percent moisture by weight was prepared, compacted in layers, and frozen in a commercial freezer. Temperature and desiccation data was collected to determine logistics for preparation and transport of the simulant bed for thermal vacuum testing. Once in the vacuum facility, the simulant bed will be cryogenically frozen with liquid nitrogen. These cryogenic vacuum tests are underway, but results will not be included in this manuscript.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016AGUFMOS54A..03G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016AGUFMOS54A..03G"><span>Steps Towards Understanding Large-scale Deformation of Gas Hydrate-bearing Sediments</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gupta, S.; Deusner, C.; Haeckel, M.; Kossel, E.</p> <p>2016-12-01</p> <p>Marine sediments bearing gas hydrates are typically characterized by heterogeneity in the gas hydrate distribution and anisotropy in the sediment-gas hydrate fabric properties. Gas hydrates also contribute to the strength and stiffness of the marine sediment, and any disturbance in the thermodynamic stability of the gas hydrates is likely to affect the geomechanical stability of the sediment. Understanding mechanisms and triggers of large-strain deformation and failure of marine gas hydrate-bearing sediments is an area of extensive research, particularly in the context of marine slope-stability and industrial gas production. The ultimate objective is to predict severe deformation events such as regional-scale slope failure or excessive sand production by using numerical simulation tools. The development of such tools essentially requires a careful analysis of thermo-hydro-chemo-mechanical behavior of gas hydrate-bearing sediments at lab-scale, and its stepwise integration into reservoir-scale simulators through definition of effective variables, use of suitable constitutive relations, and application of scaling laws. One of the focus areas of our research is to understand the bulk coupled behavior of marine gas hydrate systems with contributions from micro-scale characteristics, transport-reaction dynamics, and structural heterogeneity through experimental flow-through studies using high-pressure triaxial test systems and advanced tomographical tools (CT, ERT, MRI). We combine these studies to develop mathematical model and numerical simulation tools which could be used to predict the coupled hydro-geomechanical behavior of marine gas hydrate reservoirs in a large-strain framework. Here we will present some of our recent results from closely co-ordinated experimental and numerical simulation studies with an objective to capture the large-deformation behavior relevant to different gas production scenarios. We will also report on a variety of mechanically relevant test scenarios focusing on effects of dynamic changes in gas hydrate saturation, highly uneven gas hydrate distributions, focused fluid migration and gas hydrate production through depressurization and CO2 injection.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JPhCS.854a2027L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JPhCS.854a2027L"><span>Validation of the Dynamic Wake Meander model with focus on tower loads</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Larsen, T. J.; Larsen, G. C.; Pedersen, M. M.; Enevoldsen, K.; Madsen, H. A.</p> <p>2017-05-01</p> <p>This paper presents a comparison between measured and simulated tower loads for the Danish offshore wind farm Nysted 2. Previously, only limited full scale experimental data containing tower load measurements have been published, and in many cases the measurements include only a limited range of wind speeds. In general, tower loads in wake conditions are very challenging to predict correctly in simulations. The Nysted project offers an improved insight to this field as six wind turbines located in the Nysted II wind farm have been instrumented to measure tower top and tower bottom moments. All recorded structural data have been organized in a database, which in addition contains relevant wind turbine SCADA data as well as relevant meteorological data - e.g. wind speed and wind direction - from an offshore mast located in the immediate vicinity of the wind farm. The database contains data from a period extending over a time span of more than 3 years. Based on the recorded data basic mechanisms driving the increased loading experienced by wind turbines operating in offshore wind farm conditions have been identified, characterized and modeled. The modeling is based on the Dynamic Wake Meandering (DWM) approach in combination with the state-of-the-art aeroelastic model HAWC2, and has previously as well as in this study shown good agreement with the measurements. The conclusions from the study have several parts. In general the tower bending and yaw loads show a good agreement between measurements and simulations. However, there are situations that are still difficult to match. One is tower loads of single-wake operation near rated ambient wind speed for single wake situations for spacing’s around 7-8D. A specific target of the study was to investigate whether the largest tower fatigue loads are associated with a certain downstream distance. This has been identified in both simulations and measurements, though a rather flat optimum is seen in the measurements.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/15162930','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/15162930"><span>Effects of a computer-based intervention program on the communicative functions of children with autism.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hetzroni, Orit E; Tannous, Juman</p> <p>2004-04-01</p> <p>This study investigated the use of computer-based intervention for enhancing communication functions of children with autism. The software program was developed based on daily life activities in the areas of play, food, and hygiene. The following variables were investigated: delayed echolalia, immediate echolalia, irrelevant speech, relevant speech, and communicative initiations. Multiple-baseline design across settings was used to examine the effects of the exposure of five children with autism to activities in a structured and controlled simulated environment on the communication manifested in their natural environment. Results indicated that after exposure to the simulations, all children produced fewer sentences with delayed and irrelevant speech. Most of the children engaged in fewer sentences involving immediate echolalia and increased the number of communication intentions and the amount of relevant speech they produced. Results indicated that after practicing in a controlled and structured setting that provided the children with opportunities to interact in play, food, and hygiene activities, the children were able to transfer their knowledge to the natural classroom environment. Implications and future research directions are discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22479734-modeling-simulation-offshore-wind-farm-processes','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22479734-modeling-simulation-offshore-wind-farm-processes"><span>Modeling and simulation of offshore wind farm O&M processes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Joschko, Philip, E-mail: joschko@informatik.uni-hamburg.de; Widok, Andi H., E-mail: a.widok@htw-berlin.de; Appel, Susanne, E-mail: susanne.appel@hs-bremen.de</p> <p>2015-04-15</p> <p>This paper describes a holistic approach to operation and maintenance (O&M) processes in the domain of offshore wind farm power generation. The acquisition and process visualization is followed by a risk analysis of all relevant processes. Hereafter, a tool was designed, which is able to model the defined processes in a BPMN 2.0 notation, as well as connect and simulate them. Furthermore, the notation was enriched with new elements, representing other relevant factors that were, to date, only displayable with much higher effort. In that regard a variety of more complex situations were integrated, such as for example new processmore » interactions depending on different weather influences, in which case a stochastic weather generator was combined with the business simulation or other wind farm aspects important to the smooth running of the offshore wind farms. In addition, the choices for different methodologies, such as the simulation framework or the business process notation will be presented and elaborated depending on the impact they had on the development of the approach and the software solution. - Highlights: • Analysis of operation and maintenance processes of offshore wind farms • Process modeling with BPMN 2.0 • Domain-specific simulation tool.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/20825626','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/20825626"><span>Discrete event simulation: the preferred technique for health economic evaluations?</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Caro, Jaime J; Möller, Jörgen; Getsios, Denis</p> <p>2010-12-01</p> <p>To argue that discrete event simulation should be preferred to cohort Markov models for economic evaluations in health care. The basis for the modeling techniques is reviewed. For many health-care decisions, existing data are insufficient to fully inform them, necessitating the use of modeling to estimate the consequences that are relevant to decision-makers. These models must reflect what is known about the problem at a level of detail sufficient to inform the questions. Oversimplification will result in estimates that are not only inaccurate, but potentially misleading. Markov cohort models, though currently popular, have so many limitations and inherent assumptions that they are inadequate to inform most health-care decisions. An event-based individual simulation offers an alternative much better suited to the problem. A properly designed discrete event simulation provides more accurate, relevant estimates without being computationally prohibitive. It does require more data and may be a challenge to convey transparently, but these are necessary trade-offs to provide meaningful and valid results. In our opinion, discrete event simulation should be the preferred technique for health economic evaluations today. © 2010, International Society for Pharmacoeconomics and Outcomes Research (ISPOR).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26261115','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26261115"><span>Challenges of interprofessional team training: a qualitative analysis of residents' perceptions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>van Schaik, Sandrijn; Plant, Jennifer; O'Brien, Bridget</p> <p>2015-01-01</p> <p>Simulation-based interprofessional team training is thought to improve patient care. Participating teams often consist of both experienced providers and trainees, which likely impacts team dynamics, particularly when a resident leads the team. Although similar team composition is found in real-life, debriefing after simulations puts a spotlight on team interactions and in particular on residents in the role of team leader. The goal of the current study was to explore residents' perceptions of simulation-based interprofessional team training. This was a secondary analysis of a study of residents in the pediatric residency training program at the University of California, San Francisco (United States) leading interprofessional teams in simulated resuscitations, followed by facilitated debriefing. Residents participated in individual, semi-structured, audio-recorded interviews within one month of the simulation. The original study aimed to examine residents' self-assessment of leadership skills, and during analysis we encountered numerous comments regarding the interprofessional nature of the simulation training. We therefore performed a secondary analysis of the interview transcripts. We followed an iterative process to create a coding scheme, and used interprofessional learning and practice as sensitizing concepts to extract relevant themes. 16 residents participated in the study. Residents felt that simulated resuscitations were helpful but anxiety provoking, largely due to interprofessional dynamics. They embraced the interprofessional training opportunity and appreciated hearing other healthcare providers' perspectives, but questioned the value of interprofessional debriefing. They identified the need to maintain positive relationships with colleagues in light of the teams' complex hierarchy as a barrier to candid feedback. Pediatric residents in our study appreciated the opportunity to participate in interprofessional team training but were conflicted about the value of feedback and debriefing in this setting. These data indicate that the optimal approach to such interprofessional education activities deserves further study.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26574336','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26574336"><span>Weighted Distance Functions Improve Analysis of High-Dimensional Data: Application to Molecular Dynamics Simulations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Blöchliger, Nicolas; Caflisch, Amedeo; Vitalis, Andreas</p> <p>2015-11-10</p> <p>Data mining techniques depend strongly on how the data are represented and how distance between samples is measured. High-dimensional data often contain a large number of irrelevant dimensions (features) for a given query. These features act as noise and obfuscate relevant information. Unsupervised approaches to mine such data require distance measures that can account for feature relevance. Molecular dynamics simulations produce high-dimensional data sets describing molecules observed in time. Here, we propose to globally or locally weight simulation features based on effective rates. This emphasizes, in a data-driven manner, slow degrees of freedom that often report on the metastable states sampled by the molecular system. We couple this idea to several unsupervised learning protocols. Our approach unmasks slow side chain dynamics within the native state of a miniprotein and reveals additional metastable conformations of a protein. The approach can be combined with most algorithms for clustering or dimensionality reduction.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=deep+AND+web&pg=6&id=EJ909013','ERIC'); return false;" href="https://eric.ed.gov/?q=deep+AND+web&pg=6&id=EJ909013"><span>The Influence of Surface and Deep Cues on Primary and Secondary School Students' Assessment of Relevance in Web Menus</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Rouet, Jean-Francois; Ros, Christine; Goumi, Antonine; Macedo-Rouet, Monica; Dinet, Jerome</p> <p>2011-01-01</p> <p>Two experiments investigated primary and secondary school students' Web menu selection strategies using simulated Web search tasks. It was hypothesized that students' selections of websites depend on their perception and integration of multiple relevance cues. More specifically, students should be able to disentangle superficial cues (e.g.,…</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li class="active"><span>15</span></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_15 --> <div id="page_16" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li class="active"><span>16</span></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="301"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22227882-particle-cell-simulations-collisionless-shock-formation-via-head-merging-two-laboratory-supersonic-plasma-jets','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22227882-particle-cell-simulations-collisionless-shock-formation-via-head-merging-two-laboratory-supersonic-plasma-jets"><span>Particle-in-cell simulations of collisionless shock formation via head-on merging of two laboratory supersonic plasma jets</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Thoma, C.; Welch, D. R.; Hsu, S. C.</p> <p>2013-08-15</p> <p>We describe numerical simulations, using the particle-in-cell (PIC) and hybrid-PIC code lsp[T. P. Hughes et al., Phys. Rev. ST Accel. Beams 2, 110401 (1999)], of the head-on merging of two laboratory supersonic plasma jets. The goals of these experiments are to form and study astrophysically relevant collisionless shocks in the laboratory. Using the plasma jet initial conditions (density ∼10{sup 14}–10{sup 16} cm{sup −3}, temperature ∼ few eV, and propagation speed ∼20–150 km/s), large-scale simulations of jet propagation demonstrate that interactions between the two jets are essentially collisionless at the merge region. In highly resolved one- and two-dimensional simulations, we showmore » that collisionless shocks are generated by the merging jets when immersed in applied magnetic fields (B∼0.1–1 T). At expected plasma jet speeds of up to 150 km/s, our simulations do not give rise to unmagnetized collisionless shocks, which require much higher velocities. The orientation of the magnetic field and the axial and transverse density gradients of the jets have a strong effect on the nature of the interaction. We compare some of our simulation results with those of previously published PIC simulation studies of collisionless shock formation.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20070025205&hterms=simulation+processes&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D30%26Ntt%3Dsimulation%2Bprocesses','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20070025205&hterms=simulation+processes&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D30%26Ntt%3Dsimulation%2Bprocesses"><span>Evaluating the Credibility of Transport Processes in Simulations of Ozone Recovery using the Global Modeling Initiative Three-dimensional Model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Strahan, Susan E.; Douglass, Anne R.</p> <p>2004-01-01</p> <p>The Global Modeling Initiative (GMI) has integrated two 36-year simulations of an ozone recovery scenario with an offline chemistry and tra nsport model using two different meteorological inputs. Physically ba sed diagnostics, derived from satellite and aircraft data sets, are d escribed and then used to evaluate the realism of temperature and transport processes in the simulations. Processes evaluated include barri er formation in the subtropics and polar regions, and extratropical w ave-driven transport. Some diagnostics are especially relevant to sim ulation of lower stratospheric ozone, but most are applicable to any stratospheric simulation. The global temperature evaluation, which is relevant to gas phase chemical reactions, showed that both sets of me teorological fields have near climatological values at all latitudes and seasons at 30 hPa and below. Both simulations showed weakness in upper stratospheric wave driving. The simulation using input from a g eneral circulation model (GMI(GCM)) showed a very good residual circulation in the tropics and Northern Hemisphere. The simulation with inp ut from a data assimilation system (GMI(DAS)) performed better in the midlatitudes than it did at high latitudes. Neither simulation forms a realistic barrier at the vortex edge, leading to uncertainty in the fate of ozone-depleted vortex air. Overall, tracer transport in the offline GML(GCM) has greater fidelity throughout the stratosphere tha n it does in the GMI(DAS)</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1994PhDT.......194S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1994PhDT.......194S"><span>Molecular Simulations of Adsorption and Diffusion in Silicalite.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Snurr, Randall Quentin</p> <p></p> <p>The adsorption and diffusion of hydrocarbons in the zeolite silicalite have been studied using molecular simulations. The simulations use an atomistic description of zeolite/sorbate interactions and are based on principles of statistical mechanics. Emphasis was placed on developing new simulation techniques to allow complex systems relevant to industrial applications in catalysis and separations processes to be studied. Adsorption isotherms and heats of sorption for methane in silicalite were calculated from grand canonical Monte Carlo (GCMC) simulations and also from molecular dynamics (MD) simulations accompanied by Widom test particle insertions. Good agreement with experimental data from the literature was found. The adsorption thermodynamics of aromatic species in silicalite at low loading was predicted by direct evaluation of the configurational integrals. Good agreement with experiment was obtained for the Henry's constants and the heats of adsorption. Molecules were predicted to be localized in the channel intersections at low loading. At higher loading, conventional GCMC simulations were found to be infeasible. Several variations of the GCMC technique were developed incorporating biased insertion moves. These new techniques are much more efficient than conventional GCMC and allow for the prediction of adsorption isotherms of tightly-fitting aromatic molecules in silicalite. Our simulations when combined with experimental evidence of a phase change in the zeolite structure at intermediate loading provide an explanation of the characteristic steps seen in the experimental isotherms. A hierarchical atomistic/lattice model for studying these systems was also developed. The hierarchical model is more than an order of magnitude more efficient computationally than direct atomistic simulation. Diffusion of benzene in silicalite was studied using transition-state theory (TST). Such an approach overcomes the time-scale limitations of using MD simulations for studying sorbate dynamics. Predicted diffusion coefficients were found to be too low compared to experiment. This was attributed to the assumption of a rigid zeolite structure in the calculations and the use of a harmonic approximation for calculating the TST rate constants. Details of sorbate motion were also investigated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AcAau.138..579M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AcAau.138..579M"><span>Simulation of a tethered microgravity robot pair and validation on a planar air bearing</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mantellato, R.; Lorenzini, E. C.; Sternberg, D.; Roascio, D.; Saenz-Otero, A.; Zachrau, H. J.</p> <p>2017-09-01</p> <p>A software model has been developed to simulate the on-orbit dynamics of a dual-mass tethered system where one or both of the tethered spacecraft are able to produce propulsive thrust. The software simulates translations and rotations of both spacecraft, with the visco-elastic tether being simulated as a lumped-mass model. Thanks to this last feature, tether longitudinal and lateral modes of vibration and tether tension can be accurately assessed. Also, the way the spacecraft motion responds to sudden tether tension spikes can be studied in detail. The code enables the simulation of different scenarios, including space tug missions for deorbit maneuvers in a debris mitigation context and general-purpose tethered formation flight missions. This study aims to validate the software through a representative test campaign performed with the MIT Synchronized Position Hold Engage and Reorient Experimental Satellites (SPHERES) planar air bearing system. Results obtained with the numerical simulator are compared with data from direct measurements in different testing setups. The studied cases take into account different initial conditions of the spacecraft velocities and relative attitudes, and thrust forces. Data analysis is presented comparing the results of the simulations with direct measurements of acceleration and Azimuth rate of the two bodies in the planar air bearing test facility using a Nylon tether. Plans for conducting a microgravity test campaign using the SPHERES satellites aboard the International Space Station are also being scheduled in the near future in order to further validate the simulation using data from the relevant operational environment of extended microgravity with full six degree of freedom (per body) motion.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3675660','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3675660"><span>Shoulder Arthroscopy Simulator Training Improves Shoulder Arthroscopy Performance in a Cadaver Model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Henn, R. Frank; Shah, Neel; Warner, Jon J.P.; Gomoll, Andreas H.</p> <p>2013-01-01</p> <p>Purpose The purpose of this study was to quantify the benefits of shoulder arthroscopy simulator training with a cadaver model of shoulder arthroscopy. Methods Seventeen first year medical students with no prior experience in shoulder arthroscopy were enrolled and completed this study. Each subject completed a baseline proctored arthroscopy on a cadaveric shoulder, which included controlling the camera and completing a standard series of tasks using the probe. The subjects were randomized, and nine of the subjects received training on a virtual reality simulator for shoulder arthroscopy. All subjects then repeated the same cadaveric arthroscopy. The arthroscopic videos were analyzed in a blinded fashion for time to task completion and subjective assessment of technical performance. The two groups were compared with students t-tests, and change over time within groups was analyzed with paired t-tests. Results There were no observed differences between the two groups on the baseline evaluation. The simulator group improved significantly from baseline with respect to time to completion and subjective performance (p<0.05). Time to completion was significantly faster in the simulator group compared to controls at final evaluation (p<0.05). No difference was observed between the groups on the subjective scores at final evaluation (p=0.98). Conclusions Shoulder arthroscopy simulator training resulted in significant benefits in clinical shoulder arthroscopy time to task completion in this cadaver model. This study provides important additional evidence of the benefit of simulators in orthopaedic surgical training. Clinical Relevance There may be a role for simulator training in shoulder arthroscopy education. PMID:23591380</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22733562','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22733562"><span>Event detection and sub-state discovery from biomolecular simulations using higher-order statistics: application to enzyme adenylate kinase.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ramanathan, Arvind; Savol, Andrej J; Agarwal, Pratul K; Chennubhotla, Chakra S</p> <p>2012-11-01</p> <p>Biomolecular simulations at millisecond and longer time-scales can provide vital insights into functional mechanisms. Because post-simulation analyses of such large trajectory datasets can be a limiting factor in obtaining biological insights, there is an emerging need to identify key dynamical events and relating these events to the biological function online, that is, as simulations are progressing. Recently, we have introduced a novel computational technique, quasi-anharmonic analysis (QAA) (Ramanathan et al., PLoS One 2011;6:e15827), for partitioning the conformational landscape into a hierarchy of functionally relevant sub-states. The unique capabilities of QAA are enabled by exploiting anharmonicity in the form of fourth-order statistics for characterizing atomic fluctuations. In this article, we extend QAA for analyzing long time-scale simulations online. In particular, we present HOST4MD--a higher-order statistical toolbox for molecular dynamics simulations, which (1) identifies key dynamical events as simulations are in progress, (2) explores potential sub-states, and (3) identifies conformational transitions that enable the protein to access those sub-states. We demonstrate HOST4MD on microsecond timescale simulations of the enzyme adenylate kinase in its apo state. HOST4MD identifies several conformational events in these simulations, revealing how the intrinsic coupling between the three subdomains (LID, CORE, and NMP) changes during the simulations. Further, it also identifies an inherent asymmetry in the opening/closing of the two binding sites. We anticipate that HOST4MD will provide a powerful and extensible framework for detecting biophysically relevant conformational coordinates from long time-scale simulations. Copyright © 2012 Wiley Periodicals, Inc.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29175812','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29175812"><span>The Role of Transfer in Designing Games and Simulations for Health: Systematic Review.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kuipers, Derek A; Terlouw, Gijs; Wartena, Bard O; van 't Veer, Job Tb; Prins, Jelle T; Pierie, Jean Pierre En</p> <p>2017-11-24</p> <p>The usefulness and importance of serious games and simulations in learning and behavior change for health and health-related issues are widely recognized. Studies have addressed games and simulations as interventions, mostly in comparison with their analog counterparts. Numerous complex design choices have to be made with serious games and simulations for health, including choices that directly contribute to the effects of the intervention. One of these decisions is the way an intervention is expected to lead to desirable transfer effects. Most designs adopt a first-class transfer rationale, whereas the second class of transfer types seems a rarity in serious games and simulations for health. This study sought to review the literature specifically on the second class of transfer types in the design of serious games and simulations. Focusing on game-like interventions for health and health care, this study aimed to (1) determine whether the second class of transfer is recognized as a road for transfer in game-like interventions, (2) review the application of the second class of transfer type in designing game-like interventions, and (3) assess studies that include second-class transfer types reporting transfer outcomes. A total of 6 Web-based databases were systematically searched by titles, abstracts, and keywords using the search strategy (video games OR game OR games OR gaming OR computer simulation*) AND (software design OR design) AND (fidelity OR fidelities OR transfer* OR behaviour OR behavior). The databases searched were identified as relevant to health, education, and social science. A total of 15 relevant studies were included, covering a range of game-like interventions, all more or less mentioning design parameters aimed at transfer. We found 9 studies where first-class transfer was part of the design of the intervention. In total, 8 studies dealt with transfer concepts and fidelity types in game-like intervention design in general; 3 studies dealt with the concept of second-class transfer types and reported effects, and 2 of those recognized transfer as a design parameter. In studies on game-like interventions for health and health care, transfer is regarded as a desirable effect but not as a basic principle for design. None of the studies determined the second class of transfer or instances thereof, although in 3 cases a nonliteral transfer type was present. We also found that studies on game-like interventions for health do not elucidate design choices made and rarely provide design principles for future work. Games and simulations for health abundantly build upon the principles of first-class transfer, but the adoption of second-class transfer types proves scarce. It is likely to be worthwhile to explore the possibilities of second-class transfer types, as they may considerably influence educational objectives in terms of future serious game design for health. ©Derek A Kuipers, Gijs Terlouw, Bard O Wartena, Job TB van 't Veer, Jelle T Prins, Jean Pierre EN Pierie. Originally published in JMIR Serious Games (http://games.jmir.org), 24.11.2017.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1129327-sensitivity-tropospheric-chemical-composition-halogen-radical-chemistry-using-fully-coupled-size-resolved-multiphase-chemistry-global-climate-system-halogen-distributions-aerosol-composition-sensitivity-climate-relevant-gases','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1129327-sensitivity-tropospheric-chemical-composition-halogen-radical-chemistry-using-fully-coupled-size-resolved-multiphase-chemistry-global-climate-system-halogen-distributions-aerosol-composition-sensitivity-climate-relevant-gases"><span>Sensitivity of Tropospheric Chemical Composition to Halogen-Radical Chemistry Using a Fully Coupled Size-Resolved Multiphase Chemistry-Global Climate System: Halogen Distributions, Aerosol Composition, and Sensitivity of Climate-Relevant Gases</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Long, M.; Keene, W. C.; Easter, Richard C.</p> <p></p> <p>Observations and model studies suggest a significant but highly non-linear role for halogens, primarily Cl and Br, in multiphase atmospheric processes relevant to tropospheric chemistry and composition, aerosol evolution, radiative transfer, weather, and climate. The sensitivity of global atmospheric chemistry to the production of marine aerosol and the associated activation and cycling of inorganic Cl and Br was tested using a size-resolved multiphase coupled chemistry/global climate model (National Center for Atmospheric Research’s Community Atmosphere Model (CAM); v3.6.33). Simulation results showed strong meridional and vertical gradients in Cl and Br species. The simulation reproduced most available observations with reasonable confidence permittingmore » the formulation of potential mechanisms for several previously unexplained halogen phenomena including the enrichment of Br- in submicron aerosol, and the presence of a BrO maximum in the polar free troposphere. However, simulated total volatile Br mixing ratios were generally high in the troposphere. Br in the stratosphere was lower than observed due to the lack of long-lived organobromine species in the simulation. Comparing simulations using chemical mechanisms with and without reactive Cl and Br species demonstrated a significant temporal and spatial sensitivity of primary atmospheric oxidants (O3, HOx, NOx), CH4, and non-methane hydrocarbons (NMHC’s) to halogen cycling. Simulated O3 and NOx were globally lower (65% and 35%, respectively, less in the planetary boundary layer based on median values) in simulations that included halogens. Globally, little impact was seen in SO2 and non-sea-salt SO42- processing due to halogens. Significant regional differences were evident: The lifetime of nss-SO42- was extended downwind of large sources of SO2. The burden and lifetime of DMS (and its oxidation products) were lower by a factor of 5 in simulations that included halogens, versus those without, leading to a 20% reduction in nss-SO42- in the southern hemisphere planetary boundary layer based on median values.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27598403','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27598403"><span>Transition-Tempered Metadynamics Is a Promising Tool for Studying the Permeation of Drug-like Molecules through Membranes.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sun, Rui; Dama, James F; Tan, Jeffrey S; Rose, John P; Voth, Gregory A</p> <p>2016-10-11</p> <p>Metadynamics is an important enhanced sampling technique in molecular dynamics simulation to efficiently explore potential energy surfaces. The recently developed transition-tempered metadynamics (TTMetaD) has been proven to converge asymptotically without sacrificing exploration of the collective variable space in the early stages of simulations, unlike other convergent metadynamics (MetaD) methods. We have applied TTMetaD to study the permeation of drug-like molecules through a lipid bilayer to further investigate the usefulness of this method as applied to problems of relevance to medicinal chemistry. First, ethanol permeation through a lipid bilayer was studied to compare TTMetaD with nontempered metadynamics and well-tempered metadynamics. The bias energies computed from various metadynamics simulations were compared to the potential of mean force calculated from umbrella sampling. Though all of the MetaD simulations agree with one another asymptotically, TTMetaD is able to predict the most accurate and reliable estimate of the potential of mean force for permeation in the early stages of the simulations and is robust to the choice of required additional parameters. We also show that using multiple randomly initialized replicas allows convergence analysis and also provides an efficient means to converge the simulations in shorter wall times and, more unexpectedly, in shorter CPU times; splitting the CPU time between multiple replicas appears to lead to less overall error. After validating the method, we studied the permeation of a more complicated drug-like molecule, trimethoprim. Three sets of TTMetaD simulations with different choices of collective variables were carried out, and all converged within feasible simulation time. The minimum free energy paths showed that TTMetaD was able to predict almost identical permeation mechanisms in each case despite significantly different definitions of collective variables.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AAS...22924503T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AAS...22924503T"><span>Exploring JWST's Capability to Constrain Habitability on Simulated Terrestrial TESS Planets</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tremblay, Luke; Britt, Amber; Batalha, Natasha; Schwieterman, Edward; Arney, Giada; Domagal-Goldman, Shawn; Mandell, Avi; Planetary Systems Laboratory; Virtual Planetary Laboratory</p> <p>2017-01-01</p> <p>In the following, we have worked to develop a flexible "observability" scale of biologically relevant molecules in the atmospheres of newly discovered exoplanets for the instruments aboard NASA's next flagship mission, the James Webb Space Telescope (JWST). We sought to create such a scale in order to provide the community with a tool with which to optimize target selection for JWST observations based on detections of the upcoming Transiting Exoplanet Satellite Survey (TESS). Current literature has laid the groundwork for defining both biologically relevant molecules as well as what characteristics would make a new world "habitable", but it has so far lacked a cohesive analysis of JWST's capabilities to observe these molecules in exoplanet atmospheres and thereby constrain habitability. In developing our Observability Scale, we utilized a range of hypothetical planets (over planetary radii and stellar insolation) and generated three self-consistent atmospheric models (of dierent molecular compositions) for each of our simulated planets. With these planets and their corresponding atmospheres, we utilized the most accurate JWST instrument simulator, created specically to process transiting exoplanet spectra. Through careful analysis of these simulated outputs, we were able to determine the relevant parameters that effected JWST's ability to constrain each individual molecular bands with statistical accuracy and therefore generate a scale based on those key parameters. As a preliminary test of our Observability Scale, we have also applied it to the list of TESS candidate stars in order to determine JWST's observational capabilities for any soon-to-be-detected planet in those solar systems.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22687784-comparing-probabilistic-descriptive-analyses-timedosetoxicity-relationship-determining-observed-adverse-effect-level-drug-development','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22687784-comparing-probabilistic-descriptive-analyses-timedosetoxicity-relationship-determining-observed-adverse-effect-level-drug-development"><span>Comparing probabilistic and descriptive analyses of time–dose–toxicity relationship for determining no-observed-adverse-effect level in drug development</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Glatard, Anaïs; Berges, Aliénor; Sahota, Tarjinder</p> <p></p> <p>The no-observed-adverse-effect level (NOAEL) of a drug defined from animal studies is important for inferring a maximal safe dose in human. However, several issues are associated with its concept, determination and application. It is confined to the actual doses used in the study; becomes lower with increasing sample size or dose levels; and reflects the risk level seen in the experiment rather than what may be relevant for human. We explored a pharmacometric approach in an attempt to address these issues. We first used simulation to examine the behaviour of the NOAEL values as determined by current common practice; andmore » then fitted the probability of toxicity as a function of treatment duration and dose to data collected from all applicable toxicology studies of a test compound. Our investigation was in the context of an irreversible toxicity that is detected at the end of the study. Simulations illustrated NOAEL's dependency on experimental factors such as dose and sample size, as well as the underlying uncertainty. Modelling the probability as a continuous function of treatment duration and dose simultaneously to data from multiple studies allowed the estimation of the dose, along with its confidence interval, for a maximal risk level that might be deemed as acceptable for human. The model-based data integration also reconciled between-study inconsistency and explicitly provided maximised estimation confidence. Such alternative NOAEL determination method should be explored for its more efficient data use, more quantifiable insight to toxic doses, and the potential for more relevant animal-to-human translation. - Highlights: • Simulations revealed issues with NOAEL concept, determination and application. • Probabilistic modelling was used to address these issues. • The model integrated time-dose-toxicity data from multiple studies. • The approach uses data efficiently and may allow more meaningful human translation.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22291636','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22291636"><span>Meeting the memory challenges of brain-scale network simulation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kunkel, Susanne; Potjans, Tobias C; Eppler, Jochen M; Plesser, Hans Ekkehard; Morrison, Abigail; Diesmann, Markus</p> <p>2011-01-01</p> <p>The development of high-performance simulation software is crucial for studying the brain connectome. Using connectome data to generate neurocomputational models requires software capable of coping with models on a variety of scales: from the microscale, investigating plasticity, and dynamics of circuits in local networks, to the macroscale, investigating the interactions between distinct brain regions. Prior to any serious dynamical investigation, the first task of network simulations is to check the consistency of data integrated in the connectome and constrain ranges for yet unknown parameters. Thanks to distributed computing techniques, it is possible today to routinely simulate local cortical networks of around 10(5) neurons with up to 10(9) synapses on clusters and multi-processor shared-memory machines. However, brain-scale networks are orders of magnitude larger than such local networks, in terms of numbers of neurons and synapses as well as in terms of computational load. Such networks have been investigated in individual studies, but the underlying simulation technologies have neither been described in sufficient detail to be reproducible nor made publicly available. Here, we discover that as the network model sizes approach the regime of meso- and macroscale simulations, memory consumption on individual compute nodes becomes a critical bottleneck. This is especially relevant on modern supercomputers such as the Blue Gene/P architecture where the available working memory per CPU core is rather limited. We develop a simple linear model to analyze the memory consumption of the constituent components of neuronal simulators as a function of network size and the number of cores used. This approach has multiple benefits. The model enables identification of key contributing components to memory saturation and prediction of the effects of potential improvements to code before any implementation takes place. As a consequence, development cycles can be shorter and less expensive. Applying the model to our freely available Neural Simulation Tool (NEST), we identify the software components dominant at different scales, and develop general strategies for reducing the memory consumption, in particular by using data structures that exploit the sparseness of the local representation of the network. We show that these adaptations enable our simulation software to scale up to the order of 10,000 processors and beyond. As memory consumption issues are likely to be relevant for any software dealing with complex connectome data on such architectures, our approach and our findings should be useful for researchers developing novel neuroinformatics solutions to the challenges posed by the connectome project.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29414703','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29414703"><span>PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Scheurer, Maximilian; Rodenkirch, Peter; Siggel, Marc; Bernardi, Rafael C; Schulten, Klaus; Tajkhorshid, Emad; Rudack, Till</p> <p>2018-02-06</p> <p>Molecular dynamics (MD) simulations have become ubiquitous in all areas of life sciences. The size and model complexity of MD simulations are rapidly growing along with increasing computing power and improved algorithms. This growth has led to the production of a large amount of simulation data that need to be filtered for relevant information to address specific biomedical and biochemical questions. One of the most relevant molecular properties that can be investigated by all-atom MD simulations is the time-dependent evolution of the complex noncovalent interaction networks governing such fundamental aspects as molecular recognition, binding strength, and mechanical and structural stability. Extracting, evaluating, and visualizing noncovalent interactions is a key task in the daily work of structural biologists. We have developed PyContact, an easy-to-use, highly flexible, and intuitive graphical user interface-based application, designed to provide a toolkit to investigate biomolecular interactions in MD trajectories. PyContact is designed to facilitate this task by enabling identification of relevant noncovalent interactions in a comprehensible manner. The implementation of PyContact as a standalone application enables rapid analysis and data visualization without any additional programming requirements, and also preserves full in-program customization and extension capabilities for advanced users. The statistical analysis representation is interactively combined with full mapping of the results on the molecular system through the synergistic connection between PyContact and VMD. We showcase the capabilities and scientific significance of PyContact by analyzing and visualizing in great detail the noncovalent interactions underlying the ion permeation pathway of the human P2X 3 receptor. As a second application, we examine the protein-protein interaction network of the mechanically ultrastable cohesin-dockering complex. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010JPCM...22j0301F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010JPCM...22j0301F"><span>INTRODUCTION: New trends in simulating colloids and self-assembling systems New trends in simulating colloids and self-assembling systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Foffi, Giuseppe; Kahl, Gerhard</p> <p>2010-03-01</p> <p>Interest in colloidal physics has grown at an incredible pace over the past few decades. To a great extent this remarkable development is due to the fact that colloidal systems are highly relevant in everyday applications as well as in basic research. On the one hand, colloids are ubiquitous in our daily lives and a deeper understanding of their physical properties is therefore highly relevant in applied areas ranging from biomedicine over food sciences to technology. On the other hand, a seemingly unlimited freedom in designing colloidal particles with desired properties in combination with new, low-cost experimental techniques, make them—compared to hard matter systems—considerably more attractive for a wide range of basic investigations. All these investigations are carried out with close cooperation between experimentalists, theoreticians and simulators, reuniting thereby, on a highly interdisciplinary level, physicists, chemists, and biologists. In an effort to give credit to some of these new developments in colloidal physics, two proposals for workshops were submitted independently to CECAM in the fall of 2008; both of them were approved and organized as consecutive events. This decision undoubtedly had many practical and organizational advantages. Furthermore, and from the scientific point of view more relevant, the organizers could welcome in total 69 participants, presenting 42 oral and 21 poster contributions. We are proud to say that nearly all the colleagues that we contacted at submission time accepted our invitation, and we are happy to say that the number of additional participants was rather high. Due to the fact that both workshops took place within one week, quite a few participants, registered originally for one of these meetings, extended their participation to the other event also. In total, 23 contributions have been submitted to this special issue, which cover the main scientific topics addressed in these workshops. We consider this relatively high number of contributions as an indicator that the topics presented at these workshops represent substantial scientific developments. The particular motivation to organize these two workshops came from the fact that experimental work in colloidal physics is advancing rapidly around the globe. In contrast, theoretical and simulation approaches to investigate the wide range of new and surprising physical phenomena of colloidal systems is lagging behind this experimental progress. This is the more deploring since theory and simulation might provide a more profound understanding of many phenomena in soft and bio-related physics, such as phase behaviour, self-assembly strategies, or rheological properties, to name but a few. Furthermore this insight might help to guide experiment to design new colloid-based materials with desired properties. The declared aim of the two workshops was thus to bring together scientists who have contributed in recent time to new developments in colloidal physics and to share and discuss their latest innovations. While CECAM workshops traditionally bring together scientists from the theoretical and simulator communities, from the very beginning the organizers considered it an indispensable necessity to invite experimentalists. And indeed, the organizers are happy to confirm that the participation of experimentalists, theoreticians, and simulators was highly fruitful and mutually inspiring: discussions between all communities did help to understand the possibilities and limitations imposed by experiment, theory, and simulations. Reuniting thus all forces, the workshop did contribute to a deeper understanding in colloidal physics and has helped to address future aspects that might lead to more applied problems of technological relevance. The first workshop, entitled 'Computer Simulation Approaches to Study Self-Assembly: From Patchy Nano-Colloids to Virus Capsides', (organized by Jonathan Doye—University Of Oxford, Ard A Louis—University Of Oxford and Athanassios Panagiotopoulos—University Of Princeton) focused on the remarkable ability of colloidal systems to self-organize in well-defined composite objects. New simulation techniques and theoretical approaches were presented and discussed that offer a deeper understanding of self-assembly phenomena in colloidal physics and, eventually to uncover design rules for self-assembly. Particular emphasis was put on an emerging new class of colloidal particles, so-called patchy colloids. The second workshop, entitled 'New Trends in Simulating Colloids: From Models to Applications', (organized by Giuseppe Foffi—Ecole Polytechnique Fédérale De Lausanne, Gerhard Kahl—Vienna Technical University and Richard Vink—Georg-August-Universität Göttingen) focused on new methodological devices in theoretical and simulation approaches that provided a more profound insight in colloidal physics in general. A large variety of theoretical tools, ranging from different simulation techniques over classical density functional theory to efficient optimization techniques were presented. For details about the tools presented in both workshops we refer the reader to the contributions of this special issue. The 'round table' discussion meetings were highly useful in providing an overview of yet unsolved problems and to point out directions for future work. From the phenomenological point of view, among those are the question on the relevance of hydrodynamic interactions, the problem whether to treat solvents in an explicit or implicit way, or the relevance of multibody interactions, to name but a few. With respect to the methods it was agreed that future developments on dynamic Monte Carlo simulations or on rare events and multiscale techniques are urgently required. The presence of the experimentalists was also of great help in focusing attention on the systems that are going to represent the scientific challenges in the next years. It was interesting that while new materials like dna-coated colloids or janus and patchy particles are generating a lot of interest, more traditional systems, like colloidal glasses/gels and proteins, are far from being completely understood. The relevance of these two workshops was reflected by the general consent that within a few years' time events with similar aims should be organized to discuss the progress that has been achieved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018PPCF...60a4034H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018PPCF...60a4034H"><span>Multi-scale gyrokinetic simulations of an Alcator C-Mod, ELM-y H-mode plasma</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Howard, N. T.; Holland, C.; White, A. E.; Greenwald, M.; Rodriguez-Fernandez, P.; Candy, J.; Creely, A. J.</p> <p>2018-01-01</p> <p>High fidelity, multi-scale gyrokinetic simulations capable of capturing both ion ({k}θ {ρ }s∼ { O }(1.0)) and electron-scale ({k}θ {ρ }e∼ { O }(1.0)) turbulence were performed in the core of an Alcator C-Mod ELM-y H-mode discharge which exhibits reactor-relevant characteristics. These simulations, performed with all experimental inputs and realistic ion to electron mass ratio ({({m}i/{m}e)}1/2=60.0) provide insight into the physics fidelity that may be needed for accurate simulation of the core of fusion reactor discharges. Three multi-scale simulations and series of separate ion and electron-scale simulations performed using the GYRO code (Candy and Waltz 2003 J. Comput. Phys. 186 545) are presented. As with earlier multi-scale results in L-mode conditions (Howard et al 2016 Nucl. Fusion 56 014004), both ion and multi-scale simulations results are compared with experimentally inferred ion and electron heat fluxes, as well as the measured values of electron incremental thermal diffusivities—indicative of the experimental electron temperature profile stiffness. Consistent with the L-mode results, cross-scale coupling is found to play an important role in the simulation of these H-mode conditions. Extremely stiff ion-scale transport is observed in these high-performance conditions which is shown to likely play and important role in the reproduction of measurements of perturbative transport. These results provide important insight into the role of multi-scale plasma turbulence in the core of reactor-relevant plasmas and establish important constraints on the the fidelity of models needed for predictive simulations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20140003187','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20140003187"><span>Beneficiation of Stillwater Complex Rock for the Production of Lunar Simulants</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Rickman, D. L.; Young, C.; Stoeser, D.; Edmunson, J.</p> <p>2014-01-01</p> <p>The availability of pure, high calcium plagioclase would be a significant asset in any attempt to manufacture high-quality lunar simulants. A suitable plagioclase product can be obtained from materials obtained from the Stillwater Complex of Montana. The access, geology, petrology, and mineralogy of the relevant rocks and the mill tailings are described here. This study demonstrates successful plagioclase recovery from mill tailings produced by the Stillwater Mine Company. Hydrogen peroxide was used to remove carboxymethyl cellulose from the tailing. The characteristics of the plagioclase products are shown and locked grains are identified as a limit to achievable purity. Based on the experimental results, flowsheets were developed showing how these resources could be processed and made into 'separates' of (1) high calcium plagioclase and (2) orthopyroxene/clinopyroxene with the thought that they would be combined later to make simulant.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014AGUFM.H23C0888K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014AGUFM.H23C0888K"><span>Simulating Mobility of Chemical Contaminants from Unconventional Gas Development for Protection of Water Resources</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kanno, C.; Edlin, D.; Borrillo-Hutter, T.; McCray, J. E.</p> <p>2014-12-01</p> <p>Potential contamination of ground water and surface water supplies from chemical contaminants in hydraulic fracturing fluids or in natural gas is of high public concern. However, quantitative assessments have rarely been conducted at specific energy-producing locations so that the true risk of contamination can be evaluated. The most likely pathways for contamination are surface spills and faulty well bores that leak production fluids directly into an aquifer. This study conducts fate and transport simulations of the most mobile chemical contaminants, based on reactivity to subsurface soils, degradation potential, and source concentration, to better understand which chemicals are most likely to contaminate water resources, and to provide information to planners who wish to be prepared for accidental releases. The simulations are intended to be most relevant to the Niobrara shale formation.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20020051114&hterms=psychology&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3Dpsychology','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20020051114&hterms=psychology&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3Dpsychology"><span>A Flight Deck Perspective of Self-Separation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Lozito, Sandra; Rosekind, Mark (Technical Monitor)</p> <p>1997-01-01</p> <p>I will be participating on a Free Flight Human Factors Panel at the Ninth International Symposium on Aviation Psychology in Columbus, Ohio. My representation is related to the work that our group has conducted on flight deck issues associate with free flight. Our group completed a full-mission simulation study investigating procedural issues associated with airborne self-separation. Ten crews flew eight scenarios each in the B747-400 simulator at Ames. Each scenario had a representation of different conflict geometries with intruder aircraft. New alerting logic was created and integrated into the simulator to enable self-separation. In addition, new display features were created to help provide for enhanced information to the flight crew about relevant aircraft, The participants were asked to coordinate maneuvers for self-separation with the intruder aircraft. Data analyses for the many of the crew procedures have been completed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018OptCo.412...41W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018OptCo.412...41W"><span>Plasmon induced transparency and refractive index sensing in a new type of graphene-based plasmonic waveguide</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wu, Di; Tian, Jinping; Li, Lu; Yang, Rongcao</p> <p>2018-04-01</p> <p>The plasmon induced transparency (PIT) effect is investigated in a graphene-based waveguide, which is composed of a graphene bus waveguide side-coupled with a graphene strip directly and a graphene ring indirectly. Conventional numerical simulations based on finite element method (FEM) are used to study the transmission properties through optimizing the relevant parameters, and it is proved that the simulation results agree well with the analytical results. Then as one of the potential application branches of the PIT-like effect, the property of refractive index sensing with a higher sensitivity of 4160 nm/RIU is further studied. The result can help to deepen the understanding of PIT-like effect and nano sensor, and it would be also beneficial for the studies and applications of nanoscale graphene-based optical devices.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AGUFM.H32B..06B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AGUFM.H32B..06B"><span>Boosting flood warning schemes with fast emulator of detailed hydrodynamic models</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bellos, V.; Carbajal, J. P.; Leitao, J. P.</p> <p>2017-12-01</p> <p>Floods are among the most destructive catastrophic events and their frequency has incremented over the last decades. To reduce flood impact and risks, flood warning schemes are installed in flood prone areas. Frequently, these schemes are based on numerical models which quickly provide predictions of water levels and other relevant observables. However, the high complexity of flood wave propagation in the real world and the need of accurate predictions in urban environments or in floodplains hinders the use of detailed simulators. This sets the difficulty, we need fast predictions that meet the accuracy requirements. Most physics based detailed simulators although accurate, will not fulfill the speed demand. Even if High Performance Computing techniques are used (the magnitude of required simulation time is minutes/hours). As a consequence, most flood warning schemes are based in coarse ad-hoc approximations that cannot take advantage a detailed hydrodynamic simulation. In this work, we present a methodology for developing a flood warning scheme using an Gaussian Processes based emulator of a detailed hydrodynamic model. The methodology consists of two main stages: 1) offline stage to build the emulator; 2) online stage using the emulator to predict and generate warnings. The offline stage consists of the following steps: a) definition of the critical sites of the area under study, and the specification of the observables to predict at those sites, e.g. water depth, flow velocity, etc.; b) generation of a detailed simulation dataset to train the emulator; c) calibration of the required parameters (if measurements are available). The online stage is carried on using the emulator to predict the relevant observables quickly, and the detailed simulator is used in parallel to verify key predictions of the emulator. The speed gain given by the emulator allows also to quantify uncertainty in predictions using ensemble methods. The above methodology is applied in real world scenario.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li class="active"><span>16</span></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_16 --> <div id="page_17" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li class="active"><span>17</span></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="321"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016EGUGA..1812824M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016EGUGA..1812824M"><span>Results from the VALUE perfect predictor experiment: process-based evaluation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Maraun, Douglas; Soares, Pedro; Hertig, Elke; Brands, Swen; Huth, Radan; Cardoso, Rita; Kotlarski, Sven; Casado, Maria; Pongracz, Rita; Bartholy, Judit</p> <p>2016-04-01</p> <p>Until recently, the evaluation of downscaled climate model simulations has typically been limited to surface climatologies, including long term means, spatial variability and extremes. But these aspects are often, at least partly, tuned in regional climate models to match observed climate. The tuning issue is of course particularly relevant for bias corrected regional climate models. In general, a good performance of a model for these aspects in present climate does therefore not imply a good performance in simulating climate change. It is now widely accepted that, to increase our condidence in climate change simulations, it is necessary to evaluate how climate models simulate relevant underlying processes. In other words, it is important to assess whether downscaling does the right for the right reason. Therefore, VALUE has carried out a broad process-based evaluation study based on its perfect predictor experiment simulations: the downscaling methods are driven by ERA-Interim data over the period 1979-2008, reference observations are given by a network of 85 meteorological stations covering all European climates. More than 30 methods participated in the evaluation. In order to compare statistical and dynamical methods, only variables provided by both types of approaches could be considered. This limited the analysis to conditioning local surface variables on variables from driving processes that are simulated by ERA-Interim. We considered the following types of processes: at the continental scale, we evaluated the performance of downscaling methods for positive and negative North Atlantic Oscillation, Atlantic ridge and blocking situations. At synoptic scales, we considered Lamb weather types for selected European regions such as Scandinavia, the United Kingdom, the Iberian Pensinsula or the Alps. At regional scales we considered phenomena such as the Mistral, the Bora or the Iberian coastal jet. Such process-based evaluation helps to attribute biases in surface variables to underlying processes and ultimately to improve climate models.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27567366','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27567366"><span>Integration and Validation of Hysteroscopy Simulation in the Surgical Training Curriculum.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Elessawy, Mohamed; Skrzipczyk, Moritz; Eckmann-Scholz, Christel; Maass, Nicolai; Mettler, Liselotte; Guenther, Veronika; van Mackelenbergh, Marion; Bauerschlag, Dirk O; Alkatout, Ibrahim</p> <p></p> <p>The primary objective of our study was to test the construct validity of the HystSim hysteroscopic simulator to determine whether simulation training can improve the acquisition of hysteroscopic skills regardless of the previous levels of experience of the participants. The secondary objective was to analyze the performance of a selected task, using specially designed scoring charts to help reduce the learning curve for both novices and experienced surgeons. The teaching of hysteroscopic intervention has received only scant attention, focusing mainly on the development of physical models and box simulators. This encouraged our working group to search for a suitable hysteroscopic simulator module and to test its validation. We decided to use the HystSim hysteroscopic simulator, which is one of the few such simulators that has already completed a validation process, with high ratings for both realism and training capacity. As a testing tool for our study, we selected the myoma resection task. We analyzed the results using the multimetric score system suggested by HystSim, allowing a more precise interpretation of the results. Between June 2014 and May 2015, our group collected data on 57 participants of minimally invasive surgical training courses at the Kiel School of Gynecological Endoscopy, Department of Gynecology and Obstetrics, University Hospitals Schleswig-Holstein, Campus Kiel. The novice group consisted of 42 medical students and residents with no prior experience in hysteroscopy, whereas the expert group consisted of 15 participants with more than 2 years of experience of advanced hysteroscopy operations. The overall results demonstrated that all participants attained significant improvements between their pretest and posttests, independent of their previous levels of experience (p < 0.002). Those in the expert group demonstrated statistically significant, superior scores in the pretest and posttests (p = 0.001, p = 0.006). Regarding visualization and ergonomics, the novices showed a better pretest value than the experts; however, the experts were able to improve significantly during the posttest. These precise findings demonstrated that the multimetric scoring system achieved several important objectives, including clinical relevance, critical relevance, and training motivation. All participants demonstrated improvements in their hysteroscopic skills, proving an adequate construct validation of the HystSim. Using the multimetric scoring system enabled a more accurate analysis of the performance of the participants independent of their levels of experience which could be an important key for streamlining the learning curve. Future studies testing the predictive validation of the simulator and frequency of the training intervals are necessary before the introduction of the simulator into the standard surgical training curriculum. Copyright © 2016 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/21608512-simulation-moving-from-technology-challenge-human-factors-success','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/21608512-simulation-moving-from-technology-challenge-human-factors-success"><span>Simulation: Moving from Technology Challenge to Human Factors Success</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Gould, Derek A., E-mail: dgould@liv.ac.uk; Chalmers, Nicholas; Johnson, Sheena J.</p> <p>2012-06-15</p> <p>Recognition of the many limitations of traditional apprenticeship training is driving new approaches to learning medical procedural skills. Among simulation technologies and methods available today, computer-based systems are topical and bring the benefits of automated, repeatable, and reliable performance assessments. Human factors research is central to simulator model development that is relevant to real-world imaging-guided interventional tasks and to the credentialing programs in which it would be used.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=MD+AND+simulation&pg=3&id=ED229242','ERIC'); return false;" href="https://eric.ed.gov/?q=MD+AND+simulation&pg=3&id=ED229242"><span>Frontiers in the Teaching of Physiology. Computer Literacy and Simulation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Tidball, Charles S., Ed.; Shelesnyak, M. C., Ed.</p> <p></p> <p>Provided is a collection of papers on computer literacy and simulation originally published in The Physiology Teacher, supplemented by additional papers and a glossary of terms relevant to the field. The 12 papers are presented in five sections. An affirmation of conventional physiology laboratory exercises, coping with computer terminology, and…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://files.eric.ed.gov/fulltext/ED477927.pdf','ERIC'); return false;" href="http://files.eric.ed.gov/fulltext/ED477927.pdf"><span>Creating a Complex Measurement Model Using Evidence Centered Design.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Williamson, David M.; Bauer, Malcom; Steinberg, Linda S.; Mislevy, Robert J.; Behrens, John T.</p> <p></p> <p>In computer-based simulations meant to support learning, students must bring a wide range of relevant knowledge, skills, and abilities to bear jointly as they solve meaningful problems in a learning domain. To function efficiently as an assessment, a simulation system must also be able to evoke and interpret observable evidence about targeted…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=esport+OR+gaming&pg=3&id=EJ862969','ERIC'); return false;" href="https://eric.ed.gov/?q=esport+OR+gaming&pg=3&id=EJ862969"><span>The Gaming of Policy and the Politics of Gaming: A Review</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Mayer, Igor S.</p> <p>2009-01-01</p> <p>This article examines the foundations of gaming and related concepts, such as policy exercises and serious gaming, in a public policy making context. Examining the relevant publications in "Simulation & Gaming" since 1969, the author looks back at the development of gaming simulation for purposes such as public policy analysis and planning, and…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=%22Sex+discrimination+in+employment%22&pg=3&id=EJ602854','ERIC'); return false;" href="https://eric.ed.gov/?q=%22Sex+discrimination+in+employment%22&pg=3&id=EJ602854"><span>Sex Discrimination in Simulated Employment Contexts: A Meta-analytic Investigation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Davison, Heather K.; Burke, Michael J.</p> <p>2000-01-01</p> <p>The hypothesis that applicant and rater sex, job sex-type, and job-relevant information would affect discrimination against applicants was tested in simulations. Both sexes received lower ratings when applying for opposite-sex-typed jobs. Both male and female raters rated male applicants higher. Differences between male and female ratings…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=Risk+AND+feelings&pg=7&id=EJ1016842','ERIC'); return false;" href="https://eric.ed.gov/?q=Risk+AND+feelings&pg=7&id=EJ1016842"><span>A Medical Interviewing Curriculum Intervention for Medical Students' Assessment of Suicide Risk</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Fiedorowicz, Jess G.; Tate, Jodi; Miller, Anthony C.; Franklin, Ellen M.; Gourley, Ryan; Rosenbaum, Marcy</p> <p>2013-01-01</p> <p>Objective: Effective communication strategies are required to assess suicide risk. The authors determined whether a 2-hour simulated-patient activity during a psychiatry clerkship improved self-assessment of medical interviewing skills relevant to suicide risk-assessment. Methods: In the 2-hour simulated-patient intervention, at least one…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3858248','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3858248"><span>ReliefSeq: A Gene-Wise Adaptive-K Nearest-Neighbor Feature Selection Tool for Finding Gene-Gene Interactions and Main Effects in mRNA-Seq Gene Expression Data</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>McKinney, Brett A.; White, Bill C.; Grill, Diane E.; Li, Peter W.; Kennedy, Richard B.; Poland, Gregory A.; Oberg, Ann L.</p> <p>2013-01-01</p> <p>Relief-F is a nonparametric, nearest-neighbor machine learning method that has been successfully used to identify relevant variables that may interact in complex multivariate models to explain phenotypic variation. While several tools have been developed for assessing differential expression in sequence-based transcriptomics, the detection of statistical interactions between transcripts has received less attention in the area of RNA-seq analysis. We describe a new extension and assessment of Relief-F for feature selection in RNA-seq data. The ReliefSeq implementation adapts the number of nearest neighbors (k) for each gene to optimize the Relief-F test statistics (importance scores) for finding both main effects and interactions. We compare this gene-wise adaptive-k (gwak) Relief-F method with standard RNA-seq feature selection tools, such as DESeq and edgeR, and with the popular machine learning method Random Forests. We demonstrate performance on a panel of simulated data that have a range of distributional properties reflected in real mRNA-seq data including multiple transcripts with varying sizes of main effects and interaction effects. For simulated main effects, gwak-Relief-F feature selection performs comparably to standard tools DESeq and edgeR for ranking relevant transcripts. For gene-gene interactions, gwak-Relief-F outperforms all comparison methods at ranking relevant genes in all but the highest fold change/highest signal situations where it performs similarly. The gwak-Relief-F algorithm outperforms Random Forests for detecting relevant genes in all simulation experiments. In addition, Relief-F is comparable to the other methods based on computational time. We also apply ReliefSeq to an RNA-Seq study of smallpox vaccine to identify gene expression changes between vaccinia virus-stimulated and unstimulated samples. ReliefSeq is an attractive tool for inclusion in the suite of tools used for analysis of mRNA-Seq data; it has power to detect both main effects and interaction effects. Software Availability: http://insilico.utulsa.edu/ReliefSeq.php. PMID:24339943</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013EGUGA..15.6052G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013EGUGA..15.6052G"><span>Comparing Noah-MP simulations of energy and water fluxes in the soil-vegetation-atmosphere continuum with plot scale measurements</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gayler, Sebastian; Wöhling, Thomas; Högy, Petra; Ingwersen, Joachim; Wizemann, Hans-Dieter; Wulfmeyer, Volker; Streck, Thilo</p> <p>2013-04-01</p> <p>During the last years, land-surface models have proven to perform well in several studies that compared simulated fluxes of water and energy from the land surface to the atmosphere against measured fluxes at the plot-scale. In contrast, considerable deficits of land-surface models have been identified to simulate soil water fluxes and vertical soil moisture distribution. For example, Gayler et al. (2013) showed that simplifications in the representation of root water uptake can result in insufficient simulations of the vertical distribution of soil moisture and its dynamics. However, in coupled simulations of the terrestrial water cycle, both sub-systems, the atmosphere and the subsurface hydrogeo-system, must fit together and models are needed, which are able to adequately simulate soil moisture, latent heat flux, and their interrelationship. Consequently, land-surface models must be further improved, e.g. by incorporation of advanced biogeophysics models. To improve the conceptual realism in biophysical and hydrological processes in the community land surface model Noah, this model was recently enhanced to Noah-MP by a multi-options framework to parameterize individual processes (Niu et al., 2011). Thus, in Noah-MP the user can choose from several alternative models for vegetation and hydrology processes that can be applied in different combinations. In this study, we evaluate the performance of different Noah-MP model settings to simulate water and energy fluxes across the land surface at two contrasting field sites in South-West Germany. The evaluation is done in 1D offline-mode, i.e. without coupling to an atmospheric model. The atmospheric forcing is provided by measured time series of the relevant variables. Simulation results are compared with eddy covariance measurements of turbulent fluxes and measured time series of soil moisture at different depths. The aims of the study are i) to carve out the most appropriate combination of process parameterizations in Noah-MP to simultaneously match the different components of the water and energy cycle at the field sites under consideration, and ii) to estimate the uncertainty in model structure. We further investigate the potential to improve simulation results by incorporating concepts of more advanced root water uptake models from agricultural field scale models into the land-surface-scheme. Gayler S, Ingwersen J, Priesack E, Wöhling T, Wulfmeyer V, Streck T (2013): Assessing the relevance of sub surface processes for the simulation of evapotranspiration and soil moisture dynamics with CLM3.5: Comparison with field data and crop model simulations. Environ. Earth Sci., 69(2), under revision. Niu G-Y, Yang Z-L, Mitchell KE, Chen F, Ek MB, Barlage M, Kumar A, Manning K, Niyogi D, Rosero E, Tewari M and Xia Y (2011): The community Noah land surface model with multiparameterization options (Noah-MP): 1. Model description and evaluation with local-scale measurements. Journal of Geophysical Research 116(D12109).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29911477','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29911477"><span>Surgical simulation: Current practices and future perspectives for technical skills training.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Bjerrum, Flemming; Thomsen, Ann Sofia Skou; Nayahangan, Leizl Joy; Konge, Lars</p> <p>2018-06-17</p> <p>Simulation-based training (SBT) has become a standard component of modern surgical education, yet successful implementation of evidence-based training programs remains challenging. In this narrative review, we use Kern's framework for curriculum development to describe where we are now and what lies ahead for SBT within surgery with a focus on technical skills in operative procedures. Despite principles for optimal SBT (proficiency-based, distributed, and deliberate practice) having been identified, massed training with fixed time intervals or a fixed number of repetitions is still being extensively used, and simulators are generally underutilized. SBT should be part of surgical training curricula, including theoretical, technical, and non-technical skills, and be based on relevant needs assessments. Furthermore, training should follow evidence-based theoretical principles for optimal training, and the effect of training needs to be evaluated using relevant outcomes. There is a larger, still unrealized potential of surgical SBT, which may be realized in the near future as simulator technologies evolve, more evidence-based training programs are implemented, and cost-effectiveness and impact on patient safety is clearly demonstrated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28851657','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28851657"><span>Computer simulation and experimental self-assembly of irradiated glycine amino acid under magnetic fields: Its possible significance in prebiotic chemistry.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Heredia, Alejandro; Colín-García, María; Puig, Teresa Pi I; Alba-Aldave, Leticia; Meléndez, Adriana; Cruz-Castañeda, Jorge A; Basiuk, Vladimir A; Ramos-Bernal, Sergio; Mendoza, Alicia Negrón</p> <p>2017-12-01</p> <p>Ionizing radiation may have played a relevant role in chemical reactions for prebiotic biomolecule formation on ancient Earth. Environmental conditions such as the presence of water and magnetic fields were possibly relevant in the formation of organic compounds such as amino acids. ATR-FTIR, Raman, EPR and X-ray spectroscopies provide valuable information about molecular organization of different glycine polymorphs under static magnetic fields. γ-glycine polymorph formation increases in irradiated samples interacting with static magnetic fields. The increase in γ-glycine polymorph agrees with the computer simulations. The AM1 semi-empirical simulations show a change in the catalyst behavior and dipole moment values in α and γ-glycine interaction with the static magnetic field. The simulated crystal lattice energy in α-glycine is also affected by the free radicals under the magnetic field, which decreases its stability. Therefore, solid α and γ-glycine containing free radicals under static magnetic fields might have affected the prebiotic scenario on ancient Earth by causing the oligomerization of glycine in prebiotic reactions. Copyright © 2017 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MNRAS.477.1318Q','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MNRAS.477.1318Q"><span>Dark-ages Reionization and Galaxy Formation Simulation - XIV. Gas accretion, cooling, and star formation in dwarf galaxies at high redshift</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Qin, Yuxiang; Duffy, Alan R.; Mutch, Simon J.; Poole, Gregory B.; Geil, Paul M.; Mesinger, Andrei; Wyithe, J. Stuart B.</p> <p>2018-06-01</p> <p>We study dwarf galaxy formation at high redshift (z ≥ 5) using a suite of high-resolution, cosmological hydrodynamic simulations and a semi-analytic model (SAM). We focus on gas accretion, cooling, and star formation in this work by isolating the relevant process from reionization and supernova feedback, which will be further discussed in a companion paper. We apply the SAM to halo merger trees constructed from a collisionless N-body simulation sharing identical initial conditions to the hydrodynamic suite, and calibrate the free parameters against the stellar mass function predicted by the hydrodynamic simulations at z = 5. By making comparisons of the star formation history and gas components calculated by the two modelling techniques, we find that semi-analytic prescriptions that are commonly adopted in the literature of low-redshift galaxy formation do not accurately represent dwarf galaxy properties in the hydrodynamic simulation at earlier times. We propose three modifications to SAMs that will provide more accurate high-redshift simulations. These include (1) the halo mass and baryon fraction which are overestimated by collisionless N-body simulations; (2) the star formation efficiency which follows a different cosmic evolutionary path from the hydrodynamic simulation; and (3) the cooling rate which is not well defined for dwarf galaxies at high redshift. Accurate semi-analytic modelling of dwarf galaxy formation informed by detailed hydrodynamical modelling will facilitate reliable semi-analytic predictions over the large volumes needed for the study of reionization.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017EGUGA..1914202M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017EGUGA..1914202M"><span>Toward a better integration of roughness in rockfall simulations - a sensitivity study with the RockyFor3D model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Monnet, Jean-Matthieu; Bourrier, Franck; Milenkovic, Milutin</p> <p>2017-04-01</p> <p>Advances in numerical simulation and analysis of real-size field experiments have supported the development of process-based rockfall simulation models. Availability of high resolution remote sensing data and high-performance computing now make it possible to implement them for operational applications, e.g. risk zoning and protection structure design. One key parameter regarding rock propagation is the surface roughness, sometimes defined as the variation in height perpendicular to the slope (Pfeiffer and Bowen, 1989). Roughness-related input parameters for rockfall models are usually determined by experts on the field. In the RockyFor3D model (Dorren, 2015), three values related to the distribution of obstacles (deposited rocks, stumps, fallen trees,... as seen from the incoming rock) relatively to the average slope are estimated. The use of high resolution digital terrain models (DTMs) questions both the scale usually adopted by experts for roughness assessment and the relevance of modeling hypotheses regarding the rock / ground interaction. Indeed, experts interpret the surrounding terrain as obstacles or ground depending on the overall visibility and on the nature of objects. Digital models represent the terrain with a certain amount of smoothing, depending on the sensor capacities. Besides, the rock rebound on the ground is modeled by changes in the velocities of the gravity center of the block due to impact. Thus, the use of a DTM with resolution smaller than the block size might have little relevance while increasing computational burden. The objective of this work is to investigate the issue of scale relevance with simulations based on RockyFor3D in order to derive guidelines for roughness estimation by field experts. First a sensitivity analysis is performed to identify the combinations of parameters (slope, soil roughness parameter, rock size) where the roughness values have a critical effect on rock propagation on a regular hillside. Second, a more complex hillside is simulated by combining three components: a) a global trend (planar surface), b) local systematic components (sine waves), c) random roughness (Gaussian, zero-mean noise). The parameters for simulating these components are estimated for three typical scenarios of rockfall terrains: soft soil, fine scree and coarse scree, based on expert knowledge and available airborne and terrestrial laser scanning data. For each scenario, the reference terrain is created and used to compute input data for RockyFor3D simulations at different scales, i.e. DTMs with resolutions from 0.5 m to 20 m and associated roughness parameters. Subsequent analysis mainly focuses on the sensitivity of simulations both in terms of run-out envelope and kinetic energy distribution. Guidelines drawn from the results are expected to help experts handle the scale issue while integrating remote sensing data and field measurements of roughness in rockfall simulations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvE..95b3302D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvE..95b3302D"><span>Lattice-Boltzmann simulations of microswimmer-tracer interactions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>de Graaf, Joost; Stenhammar, Joakim</p> <p>2017-02-01</p> <p>Hydrodynamic interactions in systems composed of self-propelled particles, such as swimming microorganisms and passive tracers, have a significant impact on the tracer dynamics compared to the equivalent "dry" sample. However, such interactions are often difficult to take into account in simulations due to their computational cost. Here, we perform a systematic investigation of swimmer-tracer interaction using an efficient force-counterforce-based lattice-Boltzmann (LB) algorithm [De Graaf et al., J. Chem. Phys. 144, 134106 (2016), 10.1063/1.4944962] in order to validate its ability to capture the relevant low-Reynolds-number physics. We show that the LB algorithm reproduces far-field theoretical results well, both in a system with periodic boundary conditions and in a spherical cavity with no-slip walls, for which we derive expressions here. The force-lattice coupling of the LB algorithm leads to a "smearing out" of the flow field, which strongly perturbs the tracer trajectories at close swimmer-tracer separations, and we analyze how this effect can be accurately captured using a simple renormalized hydrodynamic theory. Finally, we show that care must be taken when using LB algorithms to simulate systems of self-propelled particles, since its finite momentum transport time can lead to significant deviations from theoretical predictions based on Stokes flow. These insights should prove relevant to the future study of large-scale microswimmer suspensions using these methods.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4744009','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4744009"><span>Differences in the Comparative Stability of Ebola Virus Makona-C05 and Yambuku-Mayinga in Blood</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Schuit, Michael; Miller, David M.; Reddick-Elick, Mary S.; Wlazlowski, Carly B.; Filone, Claire Marie; Herzog, Artemas; Colf, Leremy A.; Wahl-Jensen, Victoria; Hevey, Michael; Noah, James W.</p> <p>2016-01-01</p> <p>In support of the response to the 2013–2016 Ebola virus disease (EVD) outbreak in Western Africa, we investigated the persistence of Ebola virus/H.sapiens-tc/GIN/2014/Makona-C05 (EBOV/Mak-C05) on non-porous surfaces that are representative of hospitals, airplanes, and personal protective equipment. We performed persistence studies in three clinically-relevant human fluid matrices (blood, simulated vomit, and feces), and at environments representative of in-flight airline passenger cabins, environmentally-controlled hospital rooms, and open-air Ebola treatment centers in Western Africa. We also compared the surface stability of EBOV/Mak-C05 to that of the prototype Ebola virus/H.sapiens-tc/COD/1976/Yambuku-Mayinga (EBOV/Yam-May), in a subset of these conditions. We show that on inert, non-porous surfaces, EBOV decay rates are matrix- and environment-dependent. Among the clinically-relevant matrices tested, EBOV persisted longest in dried human blood, had limited viability in dried simulated vomit, and did not persist in feces. EBOV/Mak-C05 and EBOV/Yam-May decay rates in dried matrices were not significantly different. However, during the drying process in human blood, EBOV/Yam-May showed significantly greater loss in viability than EBOV/Mak-C05 under environmental conditions relevant to the outbreak region, and to a lesser extent in conditions relevant to an environmentally-controlled hospital room. This factor may contribute to increased communicability of EBOV/Mak-C05 when surfaces contaminated with dried human blood are the vector and may partially explain the magnitude of the most recent outbreak, compared to prior outbreaks. These EBOV persistence data will improve public health efforts by informing risk assessments, structure remediation decisions, and response procedures for future EVD outbreaks. PMID:26849135</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/16821096','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/16821096"><span>Phosphate sorption and desorption on pyrite in primitive aqueous scenarios: relevance of acidic --> alkaline transitions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>de Souza-Barros, Fernando; Braz-Levigard, Raphael; Ching-San, Yonder; Monte, Marisa M B; Bonapace, José A P; Montezano, Viviane; Vieyra, Adalberto</p> <p>2007-02-01</p> <p>Phosphate (P(i)) sorption assays onto pyrite in media simulating primeval aquatic scenarios affected by hydrothermal emissions, reveal that acidic conditions favour P(i) sorption whereas mild alkaline media--as well as those simulating sulfur oxidation to SO(2-) (4)--revert this capture process. Several mechanisms relevant to P(i) availability in prebiotic eras are implicated in the modulation of these processes. Those favouring sorption are: (a) hydrophobic coating of molecules, such as acetate that could be formed in the vicinity of hydrothermal vents; (b) water and Mg(2+) bridging in the interface mineral-aqueous media; (c) surface charge neutralization by monovalent cations (Na+ and K+). The increase of both the medium pH and the SO(2-) (4) trapping by the mineral interface would provoke the release of sorbed P(i) due to charge polarization. Moreover it is shown that P(i) self-modulates its sorption, a mechanism that depends on the abundance of SO(2-) (4) in the interface. The relevance of the proposed mechanisms of P(i) capture, release and trapping arises from the need of abundant presence of this molecule for primitive phosphorylations, since--similarly to contemporary aqueous media--inorganic phosphate concentrations in primitive seas should have been low. It is proposed that the presence of sulphide minerals with high affinity to P(i) could have trapped this molecule in an efficient manner, allowing its concentration in specific niches. In these niches, the conditions studied in the present work would have been relevant for its availability in soluble form, specially in primitive insulated systems with pH gradients across the wall.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28630888','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28630888"><span>GillesPy: A Python Package for Stochastic Model Building and Simulation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Abel, John H; Drawert, Brian; Hellander, Andreas; Petzold, Linda R</p> <p>2016-09-01</p> <p>GillesPy is an open-source Python package for model construction and simulation of stochastic biochemical systems. GillesPy consists of a Python framework for model building and an interface to the StochKit2 suite of efficient simulation algorithms based on the Gillespie stochastic simulation algorithms (SSA). To enable intuitive model construction and seamless integration into the scientific Python stack, we present an easy to understand, action-oriented programming interface. Here, we describe the components of this package and provide a detailed example relevant to the computational biology community.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5473341','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5473341"><span>GillesPy: A Python Package for Stochastic Model Building and Simulation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Abel, John H.; Drawert, Brian; Hellander, Andreas; Petzold, Linda R.</p> <p>2017-01-01</p> <p>GillesPy is an open-source Python package for model construction and simulation of stochastic biochemical systems. GillesPy consists of a Python framework for model building and an interface to the StochKit2 suite of efficient simulation algorithms based on the Gillespie stochastic simulation algorithms (SSA). To enable intuitive model construction and seamless integration into the scientific Python stack, we present an easy to understand, action-oriented programming interface. Here, we describe the components of this package and provide a detailed example relevant to the computational biology community. PMID:28630888</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20070029285','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20070029285"><span>Behavioral Health Program Element</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Leveton, Lauren B.</p> <p>2006-01-01</p> <p>The project goal is to develop behavioral health prevention and maintenance system for continued crew health, safety, and performance for exploration missions. The basic scope includes a) Operationally-relevant research related to clinical cognitive and behavioral health of crewmembers; b) Ground-based studies using analog environments (Antarctic, NEEMO, simulations, and other testbeds; c) ISS studies (ISSMP) focusing on operational issues related to behavioral health outcomes and standards; d) Technology development activities for monitoring and diagnostic tools; and e) Cross-disciplinary research (e.g., human factors and habitability research, skeletal muscle, radiation).</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li class="active"><span>17</span></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_17 --> <div id="page_18" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li class="active"><span>18</span></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="341"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013MSMSE..21g0301M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013MSMSE..21g0301M"><span>Modelling challenges for battery materials and electrical energy storage</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Muller, Richard P.; Schultz, Peter A.</p> <p>2013-10-01</p> <p>Many vital requirements in world-wide energy production, from the electrification of transportation to better utilization of renewable energy production, depend on developing economical, reliable batteries with improved performance characteristics. Batteries reduce the need for gasoline and liquid hydrocarbons in an electrified transportation fleet, but need to be lighter, longer-lived and have higher energy densities, without sacrificing safety. Lighter and higher-capacity batteries make portable electronics more convenient. Less expensive electrical storage accelerates the introduction of renewable energy to electrical grids by buffering intermittent generation from solar or wind. Meeting these needs will probably require dramatic changes in the materials and chemistry used by batteries for electrical energy storage. New simulation capabilities, in both methods and computational resources, promise to fundamentally accelerate and advance the development of improved materials for electric energy storage. To fulfil this promise significant challenges remain, both in accurate simulations at various relevant length scales and in the integration of relevant information across multiple length scales. This focus section of Modelling and Simulation in Materials Science and Engineering surveys the challenges of modelling for energy storage, describes recent successes, identifies remaining challenges, considers various approaches to surmount these challenges and discusses the potential of these methods for future battery development. Zhang et al begin with atoms and electrons, with a review of first-principles studies of the lithiation of silicon electrodes, and then Fan et al examine the development and use of interatomic potentials to the study the mechanical properties of lithiated silicon in larger atomistic simulations. Marrocchelli et al study ionic conduction, an important aspect of lithium-ion battery performance, simulated by molecular dynamics. Emerging high-throughput methods allow rapid screening of promising new candidates for battery materials, illustrated for Li-ion olivine phosphates by Hajiyani et al . This collection includes descriptions of new techniques to model the chemistry at an electrode-electrolyte interface; Gunceler et al demonstrate coupling an electronic description of the electrode chemistry with the fluid electrolyte in a joint density functional theory method. Bridging to longer length scales to probe mechanical properties and transport, Preiss et al present a proof-of-concept phase field approach for a permeation model at an electrochemical interface, An and Jiang examine finite element simulations for transient deformation and transport in electrodes, and Haftabaradaran et al study the application of an analytical model to investigate the critical thickness for fracture in thick film electrodes. The focus section concludes with a study by Chung et al which combines modelling and experiment, examining the validity of the Bruggeman relation for porous electrodes. All of the papers were peer-reviewed following the standard procedure established by the Editorial Board of Modelling and Simulation in Materials Science and Engineering .</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/4031027','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/4031027"><span>Analysis of covariance as a remedy for demographic mismatch of research subject groups: some sobering simulations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Adams, K M; Brown, G G; Grant, I</p> <p>1985-08-01</p> <p>Analysis of Covariance (ANCOVA) is often used in neuropsychological studies to effect ex-post-facto adjustment of performance variables amongst groups of subjects mismatched on some relevant demographic variable. This paper reviews some of the statistical assumptions underlying this usage. In an attempt to illustrate the complexities of this statistical technique, three sham studies using actual patient data are presented. These staged simulations have varying relationships between group test performance differences and levels of covariate discrepancy. The results were robust and consistent in their nature, and were held to support the wisdom of previous cautions by statisticians concerning the employment of ANCOVA to justify comparisons between incomparable groups. ANCOVA should not be used in neuropsychological research to equate groups unequal on variables such as age and education or to exert statistical control whose objective is to eliminate consideration of the covariate as an explanation for results. Finally, the report advocates by example the use of simulation to further our understanding of neuropsychological variables.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1256712','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1256712"><span>Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Kung, Y. F.; Chen, C. -C.; Wang, Yao</p> <p></p> <p>Here, we characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π,π) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understandingmore » of the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1390825-characterizing-three-orbital-hubbard-model-determinant-quantum-monte-carlo','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1390825-characterizing-three-orbital-hubbard-model-determinant-quantum-monte-carlo"><span>Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Kung, Y. F.; Chen, C. -C.; Wang, Yao</p> <p></p> <p>We characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π,π) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understanding ofmore » the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23244512','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23244512"><span>Towards reducing impact-induced brain injury: lessons from a computational study of army and football helmet pads.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Moss, William C; King, Michael J; Blackman, Eric G</p> <p>2014-01-01</p> <p>We use computational simulations to compare the impact response of different football and U.S. Army helmet pad materials. We conduct experiments to characterise the material response of different helmet pads. We simulate experimental helmet impact tests performed by the U.S. Army to validate our methods. We then simulate a cylindrical impactor striking different pads. The acceleration history of the impactor is used to calculate the head injury criterion for each pad. We conduct sensitivity studies exploring the effects of pad composition, geometry and material stiffness. We find that (1) the football pad materials do not outperform the currently used military pad material in militarily relevant impact scenarios; (2) optimal material properties for a pad depend on impact energy and (3) thicker pads perform better at all velocities. Although we considered only the isolated response of pad materials, not entire helmet systems, our analysis suggests that by using larger helmet shells with correspondingly thicker pads, impact-induced traumatic brain injury may be reduced.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1256712-characterizing-three-orbital-hubbard-model-determinant-quantum-monte-carlo','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1256712-characterizing-three-orbital-hubbard-model-determinant-quantum-monte-carlo"><span>Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Kung, Y. F.; Chen, C. -C.; Wang, Yao; ...</p> <p>2016-04-29</p> <p>Here, we characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π,π) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understandingmore » of the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhRvB..93o5166K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhRvB..93o5166K"><span>Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kung, Y. F.; Chen, C.-C.; Wang, Yao; Huang, E. W.; Nowadnick, E. A.; Moritz, B.; Scalettar, R. T.; Johnston, S.; Devereaux, T. P.</p> <p>2016-04-01</p> <p>We characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π ,π ) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understanding of the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AIPC.1960c0010S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AIPC.1960c0010S"><span>Study on the extrusion of nickel-based spark plug electrodes by numerical simulation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Saby, Q.; Courbon, C.; Salvatore, F.; Fabre, D.; Romeyer, F.</p> <p>2018-05-01</p> <p>Interest in metal forming simulation has grown rapidly during the last decades and is now well established even in industry. It provides a flexible and relatively cheap method to perform sensitivity analyses, getting a better insight into the forming process and use it as an optimisation tool. As far as wear is concerned, numerical simulation can be seen as a relevant approach to assess the thermomechanical loadings applied to the active die surface and therefore predict their wear behaviour. In this study, a Finite-Element (FE) based model has been developed in order to investigate the cold forming process of a nickel-based sparkplug electrode. A fully thermo-mechanically coupled implicit formulation has been used in order to model the forward extrusion step with a special emphasis on the contact conditions at the workpiece-die interface. Contact pressure, relative sliding velocity and temperature profiles have been extracted versus time and qualitatively compared to the wear phenomena observed on the worn production dies.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AIPC.1850i0001A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AIPC.1850i0001A"><span>Design of an ammonia closed-loop storage system in a CSP power plant with a power tower cavity receiver</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Abdiwe, Ramadan; Haider, Markus</p> <p>2017-06-01</p> <p>In this study the thermochemical system using ammonia as energy storage carrier is investigated and a transient mathematical model using MATLAB software was developed to predict the behavior of the ammonia closed-loop storage system including but not limited to the ammonia solar reactor and the ammonia synthesis reactor. The MATLAB model contains transient mass and energy balances as well as chemical equilibrium model for each relevant system component. For the importance of the dissociation and formation processes in the system, a Computational Fluid Dynamics (CFD) simulation on the ammonia solar and synthesis reactors has been performed. The CFD commercial package FLUENT is used for the simulation study and all the important mechanisms for packed bed reactors are taken into account, such as momentum, heat and mass transfer, and chemical reactions. The FLUENT simulation reveals the profiles inside both reactors and compared them with the profiles from the MATLAB code.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27866987','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27866987"><span>Signalling product healthiness through symbolic package cues: Effects of package shape and goal congruence on consumer behaviour.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>van Ooijen, Iris; Fransen, Marieke L; Verlegh, Peeter W J; Smit, Edith G</p> <p>2017-02-01</p> <p>Three studies show that product packaging shape serves as a cue that communicates healthiness of food products. Inspired by embodiment accounts, we show that packaging that simulates a slim body shape acts as a symbolic cue for product healthiness (e.g., low in calories), as opposed to packaging that simulates a wide body shape. Furthermore, we show that the effect of slim package shape on consumer behaviour is goal dependent. Whereas simulation of a slim (vs. wide) body shape increases choice likelihood and product attitude when consumers have a health-relevant shopping goal, packaging shape does not affect these outcomes when consumers have a hedonic shopping goal. In Study 3, we adopt a realistic shopping paradigm using a shelf with authentic products, and find that a slim (as opposed to wide) package shape increases on-shelf product recognition and increases product attitude for healthy products. We discuss results and implications regarding product positioning and the packaging design process. Copyright © 2016 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25296785','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25296785"><span>Theoretical study of the ammonia nitridation rate on an Fe (100) surface: a combined density functional theory and kinetic Monte Carlo study.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Yeo, Sang Chul; Lo, Yu Chieh; Li, Ju; Lee, Hyuck Mo</p> <p>2014-10-07</p> <p>Ammonia (NH3) nitridation on an Fe surface was studied by combining density functional theory (DFT) and kinetic Monte Carlo (kMC) calculations. A DFT calculation was performed to obtain the energy barriers (Eb) of the relevant elementary processes. The full mechanism of the exact reaction path was divided into five steps (adsorption, dissociation, surface migration, penetration, and diffusion) on an Fe (100) surface pre-covered with nitrogen. The energy barrier (Eb) depended on the N surface coverage. The DFT results were subsequently employed as a database for the kMC simulations. We then evaluated the NH3 nitridation rate on the N pre-covered Fe surface. To determine the conditions necessary for a rapid NH3 nitridation rate, the eight reaction events were considered in the kMC simulations: adsorption, desorption, dissociation, reverse dissociation, surface migration, penetration, reverse penetration, and diffusion. This study provides a real-time-scale simulation of NH3 nitridation influenced by nitrogen surface coverage that allowed us to theoretically determine a nitrogen coverage (0.56 ML) suitable for rapid NH3 nitridation. In this way, we were able to reveal the coverage dependence of the nitridation reaction using the combined DFT and kMC simulations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1422338-movement-collision-lagrangian-particles-hydro-turbine-intakes-acasestudy','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1422338-movement-collision-lagrangian-particles-hydro-turbine-intakes-acasestudy"><span>Movement and collision of Lagrangian particles in hydro-turbine intakes: a case study</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Romero-Gomez, Pedro; Richmond, Marshall C.</p> <p></p> <p>Studies of the stress/survival of migratory fish during downstream passage through operating hydro-turbines are normally conducted to determine the fish-friendliness of units. One field approach consisting of recording extreme hydraulics with autonomous sensors is largely sensitive to the conditions of sensor release and the initial trajectories at the turbine intake. This study applies a modelling strategy based on flow simulations using computational fluid dynamics and Lagrangian particle tracking to represent the travel of live fish and autonomous sensor devices through hydro-turbine intakes. For the flow field calculation, the simulations were conducted with both a time-averaging turbulence model and an eddy-resolvingmore » technique. For the particle tracking calculation, different modelling assumptions for turbulence forcing, mass formulation, buoyancy, and release condition were tested. The modelling assumptions are evaluated with respect to data sets collected using a laboratory physical model and an autonomous sensor device deployed at Ice Harbor Dam (Snake River, State of Washington, U.S.A.) at the same discharge and release point as in the present computer simulations. We found an acceptable agreement between the simulated results and observed data and discuss relevant features of Lagrangian particle movement that are critical in turbine design and in the experimental design of field studies.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AtmEn.176...47G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AtmEn.176...47G"><span>Ozone impact minimization through coordinated scheduling of turnaround operations from multiple olefin plants in an ozone nonattainment area</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ge, Sijie; Wang, Sujing; Xu, Qiang; Ho, Thomas</p> <p>2018-03-01</p> <p>Turnaround operations (start-up and shutdown) are critical operations in olefin plants, which emit large quantities of VOCs, NOx and CO. The emission has great potentials to impact the ozone level in ozone nonattainment areas. This study demonstrates a novel practice to minimize the ozone impact through coordinated scheduling of turnaround operations from multiple olefin plants located in Houston, Texas, an ozone nonattainment area. The study considered two olefin plants scheduled to conduct turnaround operations: one start-up and one shutdown, simultaneously on the same day within a five-hour window. Through dynamic simulations of the turnaround operations using ASPEN Plus Dynamics and air quality simulations using CAMx, the study predicts the ozone impact from the combined effect of the two turnaround operations under different starting-time scenarios. The simulations predict that the ozone impact from planned turnaround operations ranges from a maximum of 11.4 ppb to a minimum of 1.4 ppb. Hence, a reduction of up to 10.0 ppb can be achieved on a single day based on the selected two simulation days. This study demonstrates a cost-effective and environmentally benign ozone control practice for relevant stakeholders, including environmental agencies, regional plant operators, and local communities.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28514644','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28514644"><span>The importance of hormonal circadian rhythms in daily feeding patterns: An illustration with simulated pigs.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Boumans, Iris J M M; de Boer, Imke J M; Hofstede, Gert Jan; la Fleur, Susanne E; Bokkers, Eddie A M</p> <p>2017-07-01</p> <p>The interaction between hormonal circadian rhythms and feeding behaviour is not well understood. This study aimed to deepen our understanding of mechanisms underlying circadian feeding behaviour in animals, using pigs, Sus scrofa, as a case study. Pigs show an alternans feeding pattern, that is, a small peak of feed intake at the beginning of the day and a larger peak at the end of the day. We simulated the feeding behaviour of pigs over a 24h period. The simulation model contained mechanisms that regulate feeding behaviour of animals, including: processing of feed in the gastrointestinal tract, fluctuation in energy balance, circadian rhythms of melatonin and cortisol and motivational decision-making. From the interactions between these various processes, feeding patterns (e.g. feed intake, meal frequency, feeding rate) emerge. These feeding patterns, as well as patterns for the underlying mechanisms (e.g. energy expenditure), fitted empirical data well, indicating that our model contains relevant mechanisms. The circadian rhythms of cortisol and melatonin explained the alternans pattern of feeding in pigs. Additionally, the timing and amplitude of cortisol peaks affected the diurnal and nocturnal peaks in feed intake. Furthermore, our results suggest that circadian rhythms of other hormones, such as leptin and ghrelin, are less important in circadian regulation of feeding behaviour than previously thought. These results are relevant to animal species with a metabolic and endocrine system similar to that of pigs, such as humans. Moreover, the modelling approach to understand feeding behaviour can be applied to other animal species. Copyright © 2017 Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AIPC.1960b0004C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AIPC.1960b0004C"><span>On the inter-stitch interaction in biaxial non-crimp fabrics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Colin, David; Bel, Sylvain; Hans, Thorsten; Hartmann, Mathias</p> <p>2018-05-01</p> <p>Simulation models of fiber reinforcements at the scale of fibers possibly reproduce important deformation mechanisms and can offer predictive capabilities on the macroscopic mechanical behavior. Although potential deformation mechanisms are already listed in the literature, these phenomena should be experimentally investigated to evaluate their relevance in simulation at the scale of fibers. This study focuses on the inter-stitch interaction of Non-Crimp Fabric (NCF) and aims at quantifying the relative motion of the stitching yarns. To this end, controlled shear deformation was introduced on +/-45° biaxial tricot stitched NCF. The stitching yarns have been colored on the backside of the sample while the front face remained uncolored. Therefore, an inter-stitch relative motion can be observed if an uncolored portion of the stitching yarn appears on the back face of the sample. The samples were observed during the experiments with a digital microscope in order to measure the uncolored portion of the yarns on the back face. Thus, the stitching yarn movement can be quantified for various shear angles. A significant relative motion was observed compared to the original stitching length. Based on this study, the authors argue that the inter-stitch sliding is a relevant deformation mechanism for biaxial tricot stitched NCF at the scale of fibers.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA640860','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA640860"><span>Are Hydrostatic Models Still Capable of Simulating Oceanic Fronts</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2016-11-10</p> <p>Coriolis effect is added to the model momentum equations...nonhydrostatic (NH) models to address the relevance of NH effects on the evolution of density fronts and the development of meso- and submeso-scale vertical...nonhydrostatic (NH) models to address the relevance of NH effects on the evolution of density fronts and the development of meso- and submeso-scale vertical</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA597939','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA597939"><span>Defense Acquisition Review Journal. Volume 16, Number 3, Issue 52</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2009-10-01</p> <p>This is also theorized to lead to increased ability for a student to transfer that learning experience into their everyday workplace experiences. In...hands-on, apprenticeship -type learning environment, increased motivation, and increased relevance for students through interactivity and...vation to learn and increasing perceived relevance of the instruction . This article covers the use of games and simulations in three different</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012cosp...39.1240M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012cosp...39.1240M"><span>Charging and performance of the CubeSTAR satellite studied by numerical simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Miloch, Wojciech; Bekkeng, Tore André; Lindem, Torfinn</p> <p>2012-07-01</p> <p>A good understanding of spacecraft-plasma interaction is important for all space missions and experiments. The spacecraft potential is determined by the plasma, photoemission and other currents [1]. A charged object can significantly disturb the surrounding plasma, and lead to wake formation. The wake features, such as ion focusing, can influence the measurements of the plasma by the instruments onboard. A study of this problem using analytical models is difficult and can not account for all phenomena. This has encouraged use of numerical models for self-consistent studies of the plasma-object interactions on a detailed kinetic level [2][3]. With three-dimensional particle-in-cell (PIC) simulations [3][4], we address the spacecraft-plasma interaction in various plasma environments, and account for the self-consistent charging of the spacecraft by plasma and photoemission currents. As a specific case, we consider the interactions between plasma and a CubeSTAR satellite. CubeSTAR is a nano-satellite for the space weather studies being constructed in Norway, with the launch scheduled for year 2013. With a novel Langmuir probe system [5], it will measure the absolute electron densities with a high spatial resolution, allowing for studies of small scale plasma irregularities. We perform a systematic study of the role of the wakefield on the measurements with the Langmuir probes onboard the CubeSTAR for the plasma conditions relevant for the planned polar orbit. The simulation results are of relevance also for other spacecraft missions. [1] Whipple E C, Rep. Prog. Phys. 44, 1197 (1981). [2] Roussel J F and Berthelier J J, J. Geophys. Res. 109, A01104 (2004). [3] Yaroshenko V V et al., J. Geophys. Res. 116, A12218 (2011). [4] Miloch W J Kroll M and Block D 2010 Phys. Plasmas 17, 103703 (2010). [5] Bekkeng T A et al. Meas. Sci. Technol. 21, 085903 (2010).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28516933','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28516933"><span>Experimental characterization of a quantum many-body system via higher-order correlations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Schweigler, Thomas; Kasper, Valentin; Erne, Sebastian; Mazets, Igor; Rauer, Bernhard; Cataldini, Federica; Langen, Tim; Gasenzer, Thomas; Berges, Jürgen; Schmiedmayer, Jörg</p> <p>2017-05-17</p> <p>Quantum systems can be characterized by their correlations. Higher-order (larger than second order) correlations, and the ways in which they can be decomposed into correlations of lower order, provide important information about the system, its structure, its interactions and its complexity. The measurement of such correlation functions is therefore an essential tool for reading, verifying and characterizing quantum simulations. Although higher-order correlation functions are frequently used in theoretical calculations, so far mainly correlations up to second order have been studied experimentally. Here we study a pair of tunnel-coupled one-dimensional atomic superfluids and characterize the corresponding quantum many-body problem by measuring correlation functions. We extract phase correlation functions up to tenth order from interference patterns and analyse whether, and under what conditions, these functions factorize into correlations of lower order. This analysis characterizes the essential features of our system, the relevant quasiparticles, their interactions and topologically distinct vacua. From our data we conclude that in thermal equilibrium our system can be seen as a quantum simulator of the sine-Gordon model, relevant for diverse disciplines ranging from particle physics to condensed matter. The measurement and evaluation of higher-order correlation functions can easily be generalized to other systems and to study correlations of any other observable such as density, spin and magnetization. It therefore represents a general method for analysing quantum many-body systems from experimental data.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017SPIE10137E..17C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017SPIE10137E..17C"><span>A simulation study of spectral Čerenkov luminescence imaging for tumour margin estimation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Calvert, Nick; Helo, Yusef; Mertzanidou, Thomy; Tuch, David S.; Arridge, Simon R.; Stoyanov, Danail</p> <p>2017-03-01</p> <p>Breast cancer is the most common cancer in women in the world. Breast-conserving surgery (BCS) is a standard surgical treatment for breast cancer with the key objective of removing breast tissue, maintaining a negative surgical margin and providing a good cosmetic outcome. A positive surgical margin, meaning the presence of cancerous tissues on the surface of the breast specimen after surgery, is associated with local recurrence after therapy. In this study, we investigate a new imaging modality based on Cerenkov luminescence imaging (CLI) for the purpose of detecting positive surgical margins during BCS. We develop Monte Carlo (MC) simulations using the Geant4 nuclear physics simulation toolbox to study the spectrum of photons emitted given 18F-FDG and breast tissue properties. The resulting simulation spectra show that the CLI signal contains information that may be used to estimate whether the cancerous cells are at a depth of less than 1 mm or greater than 1 mm given appropriate imaging system design and sensitivity. The simulation spectra also show that when the source is located within 1 mm of the surface, the tissue parameters are not relevant to the model as the spectra do not vary significantly. At larger depths, however, the spectral information varies significantly with breast optical parameters, having implications for further studies and system design. While promising, further studies are needed to quantify the CLI response to more accurately incorporate tissue specific parameters and patient specific anatomical details.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li class="active"><span>18</span></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_18 --> <div id="page_19" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li class="active"><span>19</span></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="361"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/9826587','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/9826587"><span>Local rules simulation of the kinetics of virus capsid self-assembly.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Schwartz, R; Shor, P W; Prevelige, P E; Berger, B</p> <p>1998-12-01</p> <p>A computer model is described for studying the kinetics of the self-assembly of icosahedral viral capsids. Solution of this problem is crucial to an understanding of the viral life cycle, which currently cannot be adequately addressed through laboratory techniques. The abstract simulation model employed to address this is based on the local rules theory of. Proc. Natl. Acad. Sci. USA. 91:7732-7736). It is shown that the principle of local rules, generalized with a model of kinetics and other extensions, can be used to simulate complicated problems in self-assembly. This approach allows for a computationally tractable molecular dynamics-like simulation of coat protein interactions while retaining many relevant features of capsid self-assembly. Three simple simulation experiments are presented to illustrate the use of this model. These show the dependence of growth and malformation rates on the energetics of binding interactions, the tolerance of errors in binding positions, and the concentration of subunits in the examples. These experiments demonstrate a tradeoff within the model between growth rate and fidelity of assembly for the three parameters. A detailed discussion of the computational model is also provided.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20020011014&hterms=sonic+temperature&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D20%26Ntt%3Dsonic%2Btemperature','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20020011014&hterms=sonic+temperature&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D20%26Ntt%3Dsonic%2Btemperature"><span>Sonic and Supersonic Jet Plumes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Venkatapathy, E.; Naughton, J. W.; Flethcher, D. G.; Edwards, Thomas A. (Technical Monitor)</p> <p>1994-01-01</p> <p>Study of sonic and supersonic jet plumes are relevant to understanding such phenomenon as jet-noise, plume signatures, and rocket base-heating and radiation. Jet plumes are simple to simulate and yet, have complex flow structures such as Mach disks, triple points, shear-layers, barrel shocks, shock- shear- layer interaction, etc. Experimental and computational simulation of sonic and supersonic jet plumes have been performed for under- and over-expanded, axisymmetric plume conditions. The computational simulation compare very well with the experimental observations of schlieren pictures. Experimental data such as temperature measurements with hot-wire probes are yet to be measured and will be compared with computed values. Extensive analysis of the computational simulations presents a clear picture of how the complex flow structure develops and the conditions under which self-similar flow structures evolve. From the computations, the plume structure can be further classified into many sub-groups. In the proposed paper, detail results from the experimental and computational simulations for single, axisymmetric, under- and over-expanded, sonic and supersonic plumes will be compared and the fluid dynamic aspects of flow structures will be discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1198063-assessing-effects-data-compression-simulations-using-physically-motivated-metrics','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1198063-assessing-effects-data-compression-simulations-using-physically-motivated-metrics"><span>Assessing the Effects of Data Compression in Simulations Using Physically Motivated Metrics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Laney, Daniel; Langer, Steven; Weber, Christopher; ...</p> <p>2014-01-01</p> <p>This paper examines whether lossy compression can be used effectively in physics simulations as a possible strategy to combat the expected data-movement bottleneck in future high performance computing architectures. We show that, for the codes and simulations we tested, compression levels of 3–5X can be applied without causing significant changes to important physical quantities. Rather than applying signal processing error metrics, we utilize physics-based metrics appropriate for each code to assess the impact of compression. We evaluate three different simulation codes: a Lagrangian shock-hydrodynamics code, an Eulerian higher-order hydrodynamics turbulence modeling code, and an Eulerian coupled laser-plasma interaction code. Wemore » compress relevant quantities after each time-step to approximate the effects of tightly coupled compression and study the compression rates to estimate memory and disk-bandwidth reduction. We find that the error characteristics of compression algorithms must be carefully considered in the context of the underlying physics being modeled.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015APS..DPPNO4004S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015APS..DPPNO4004S"><span>Simulation of Plasma Jet Merger and Liner Formation within the PLX- α Project</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Samulyak, Roman; Chen, Hsin-Chiang; Shih, Wen; Hsu, Scott</p> <p>2015-11-01</p> <p>Detailed numerical studies of the propagation and merger of high Mach number argon plasma jets and the formation of plasma liners have been performed using the newly developed method of Lagrangian particles (LP). The LP method significantly improves accuracy and mathematical rigor of common particle-based numerical methods such as smooth particle hydrodynamics while preserving their main advantages compared to grid-based methods. A brief overview of the LP method will be presented. The Lagrangian particle code implements main relevant physics models such as an equation of state for argon undergoing atomic physics transformation, radiation losses in thin optical limit, and heat conduction. Simulations of the merger of two plasma jets are compared with experimental data from past PLX experiments. Simulations quantify the effect of oblique shock waves, ionization, and radiation processes on the jet merger process. Results of preliminary simulations of future PLX- alpha experiments involving the ~ π / 2 -solid-angle plasma-liner configuration with 9 guns will also be presented. Partially supported by ARPA-E's ALPHA program.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015AGUFMSH11E2417R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015AGUFMSH11E2417R"><span>Turbulence dissipation challenge: particle-in-cell simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Roytershteyn, V.; Karimabadi, H.; Omelchenko, Y.; Germaschewski, K.</p> <p>2015-12-01</p> <p>We discuss application of three particle in cell (PIC) codes to the problems relevant to turbulence dissipation challenge. VPIC is a fully kinetic code extensively used to study a variety of diverse problems ranging from laboratory plasmas to astrophysics. PSC is a flexible fully kinetic code offering a variety of algorithms that can be advantageous to turbulence simulations, including high order particle shapes, dynamic load balancing, and ability to efficiently run on Graphics Processing Units (GPUs). Finally, HYPERS is a novel hybrid (kinetic ions+fluid electrons) code, which utilizes asynchronous time advance and a number of other advanced algorithms. We present examples drawn both from large-scale turbulence simulations and from the test problems outlined by the turbulence dissipation challenge. Special attention is paid to such issues as the small-scale intermittency of inertial range turbulence, mode content of the sub-proton range of scales, the formation of electron-scale current sheets and the role of magnetic reconnection, as well as numerical challenges of applying PIC codes to simulations of astrophysical turbulence.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015EGUGA..17.4938H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015EGUGA..17.4938H"><span>Convective aggregation in idealised models and realistic equatorial cases</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Holloway, Chris</p> <p>2015-04-01</p> <p>Idealised explicit convection simulations of the Met Office Unified Model are shown to exhibit spontaneous self-aggregation in radiative-convective equilibrium, as seen previously in other models in several recent studies. This self-aggregation is linked to feedbacks between radiation, surface fluxes, and convection, and the organization is intimately related to the evolution of the column water vapour (CWV) field. To investigate the relevance of this behaviour to the real world, these idealized simulations are compared with five 15-day cases of real organized convection in the tropics, including multiple simulations of each case testing sensitivities of the convective organization and mean states to interactive radiation, interactive surface fluxes, and evaporation of rain. Despite similar large-scale forcing via lateral boundary conditions, systematic differences in mean CWV, CWV distribution shape, and the length scale of CWV features are found between the different sensitivity runs, showing that there are at least some similarities in sensitivities to these feedbacks in both idealized and realistic simulations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014AGUFM.A54D..02H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014AGUFM.A54D..02H"><span>Convective aggregation in idealised models and realistic equatorial cases</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Holloway, C. E.</p> <p>2014-12-01</p> <p>Idealised explicit convection simulations of the Met Office Unified Model are shown to exhibit spontaneous self-aggregation in radiative-convective equilibrium, as seen previously in other models in several recent studies. This self-aggregation is linked to feedbacks between radiation, surface fluxes, and convection, and the organization is intimately related to the evolution of the column water vapor (CWV) field. To investigate the relevance of this behavior to the real world, these idealized simulations are compared with five 15-day cases of real organized convection in the tropics, including multiple simulations of each case testing sensitivities of the convective organization and mean states to interactive radiation, interactive surface fluxes, and evaporation of rain. Despite similar large-scale forcing via lateral boundary conditions, systematic differences in mean CWV, CWV distribution shape, and the length scale of CWV features are found between the different sensitivity runs, showing that there are at least some similarities in sensitivities to these feedbacks in both idealized and realistic simulations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015GMD.....8.3681F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015GMD.....8.3681F"><span>GO2OGS 1.0: a versatile workflow to integrate complex geological information with fault data into numerical simulation models</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Fischer, T.; Naumov, D.; Sattler, S.; Kolditz, O.; Walther, M.</p> <p>2015-11-01</p> <p>We offer a versatile workflow to convert geological models built with the ParadigmTM GOCAD© (Geological Object Computer Aided Design) software into the open-source VTU (Visualization Toolkit unstructured grid) format for usage in numerical simulation models. Tackling relevant scientific questions or engineering tasks often involves multidisciplinary approaches. Conversion workflows are needed as a way of communication between the diverse tools of the various disciplines. Our approach offers an open-source, platform-independent, robust, and comprehensible method that is potentially useful for a multitude of environmental studies. With two application examples in the Thuringian Syncline, we show how a heterogeneous geological GOCAD model including multiple layers and faults can be used for numerical groundwater flow modeling, in our case employing the OpenGeoSys open-source numerical toolbox for groundwater flow simulations. The presented workflow offers the chance to incorporate increasingly detailed data, utilizing the growing availability of computational power to simulate numerical models.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006APS..DPPNP1163P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006APS..DPPNP1163P"><span>Simulations of Foils Irradiated by Finite Laser Spots</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Phillips, Lee</p> <p>2006-10-01</p> <p>Recent proposed designs (Obenchain et al., Phys. Plasmas 13 056320 (2006)) for direct-drive ICF targets for energy applications involve high implosion velocities with lower laser energies combined with higher irradiances. The use of high irradiances increases the likelihood of deleterious laser plasma instabilities (LPI) that may lead, for example, to the generation of fast electrons. The proposed use of a 248 nm KrF laser is expected to minimize LPI, and this is being studied by experiments on NRL's NIKE laser. Here we report on simulations aimed at designing and interpreting these experiments. The 2d simulations employ a modification of the FAST code to ablate plasma from CH and DT foils using laser pulses with arbitrary spatial and temporal profiles. These include the customary hypergaussian NIKE profile, gaussian profiles, and combinations of these. The simulations model the structure of the ablating plasma and the absorption of the laser light, providing parameters for design of the experiment and indicating where the relevant LPI (two-plasmon, Raman) may be observed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20140005334','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20140005334"><span>UAS-Systems Integration, Validation, and Diagnostics Simulation Capability</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Buttrill, Catherine W.; Verstynen, Harry A.</p> <p>2014-01-01</p> <p>As part of the Phase 1 efforts of NASA's UAS-in-the-NAS Project a task was initiated to explore the merits of developing a system simulation capability for UAS to address airworthiness certification requirements. The core of the capability would be a software representation of an unmanned vehicle, including all of the relevant avionics and flight control system components. The specific system elements could be replaced with hardware representations to provide Hardware-in-the-Loop (HWITL) test and evaluation capability. The UAS Systems Integration and Validation Laboratory (UAS-SIVL) was created to provide a UAS-systems integration, validation, and diagnostics hardware-in-the-loop simulation capability. This paper discusses how SIVL provides a robust and flexible simulation framework that permits the study of failure modes, effects, propagation paths, criticality, and mitigation strategies to help develop safety, reliability, and design data that can assist with the development of certification standards, means of compliance, and design best practices for civil UAS.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4367305','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4367305"><span>A Multi-Stage Method for Connecting Participatory Sensing and Noise Simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Hu, Mingyuan; Che, Weitao; Zhang, Qiuju; Luo, Qingli; Lin, Hui</p> <p>2015-01-01</p> <p>Most simulation-based noise maps are important for official noise assessment but lack local noise characteristics. The main reasons for this lack of information are that official noise simulations only provide information about expected noise levels, which is limited by the use of large-scale monitoring of noise sources, and are updated infrequently. With the emergence of smart cities and ubiquitous sensing, the possible improvements enabled by sensing technologies provide the possibility to resolve this problem. This study proposed an integrated methodology to propel participatory sensing from its current random and distributed sampling origins to professional noise simulation. The aims of this study were to effectively organize the participatory noise data, to dynamically refine the granularity of the noise features on road segments (e.g., different portions of a road segment), and then to provide a reasonable spatio-temporal data foundation to support noise simulations, which can be of help to researchers in understanding how participatory sensing can play a role in smart cities. This study first discusses the potential limitations of the current participatory sensing and simulation-based official noise maps. Next, we explain how participatory noise data can contribute to a simulation-based noise map by providing (1) spatial matching of the participatory noise data to the virtual partitions at a more microscopic level of road networks; (2) multi-temporal scale noise estimations at the spatial level of virtual partitions; and (3) dynamic aggregation of virtual partitions by comparing the noise values at the relevant temporal scale to form a dynamic segmentation of each road segment to support multiple spatio-temporal noise simulations. In this case study, we demonstrate how this method could play a significant role in a simulation-based noise map. Together, these results demonstrate the potential benefits of participatory noise data as dynamic input sources for noise simulations on multiple spatio-temporal scales. PMID:25621604</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25621604','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25621604"><span>A multi-stage method for connecting participatory sensing and noise simulations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hu, Mingyuan; Che, Weitao; Zhang, Qiuju; Luo, Qingli; Lin, Hui</p> <p>2015-01-22</p> <p>Most simulation-based noise maps are important for official noise assessment but lack local noise characteristics. The main reasons for this lack of information are that official noise simulations only provide information about expected noise levels, which is limited by the use of large-scale monitoring of noise sources, and are updated infrequently. With the emergence of smart cities and ubiquitous sensing, the possible improvements enabled by sensing technologies provide the possibility to resolve this problem. This study proposed an integrated methodology to propel participatory sensing from its current random and distributed sampling origins to professional noise simulation. The aims of this study were to effectively organize the participatory noise data, to dynamically refine the granularity of the noise features on road segments (e.g., different portions of a road segment), and then to provide a reasonable spatio-temporal data foundation to support noise simulations, which can be of help to researchers in understanding how participatory sensing can play a role in smart cities. This study first discusses the potential limitations of the current participatory sensing and simulation-based official noise maps. Next, we explain how participatory noise data can contribute to a simulation-based noise map by providing (1) spatial matching of the participatory noise data to the virtual partitions at a more microscopic level of road networks; (2) multi-temporal scale noise estimations at the spatial level of virtual partitions; and (3) dynamic aggregation of virtual partitions by comparing the noise values at the relevant temporal scale to form a dynamic segmentation of each road segment to support multiple spatio-temporal noise simulations. In this case study, we demonstrate how this method could play a significant role in a simulation-based noise map. Together, these results demonstrate the potential benefits of participatory noise data as dynamic input sources for noise simulations on multiple spatio-temporal scales.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/12423602','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/12423602"><span>Comparison of the cytotoxicity of clinically relevant cobalt-chromium and alumina ceramic wear particles in vitro.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Germain, M A; Hatton, A; Williams, S; Matthews, J B; Stone, M H; Fisher, J; Ingham, E</p> <p>2003-02-01</p> <p>Concern over polyethylene wear particle induced aseptic loosening of metal-on-polyethylene hip prostheses has led to renewed interest in alternative materials such as metal-on-metal and alumina ceramic-on-alumina ceramic for total hip replacement. This study compared the effects of clinically relevant cobalt-chromium and alumina ceramic wear particles on the viability of U937 histiocytes and L929 fibroblasts in vitro. Clinically relevant cobalt-chromium wear particles were generated using a flat pin-on-plate tribometer. The mean size of the clinically relevant metal particles was 29.5+/-6.3 nm (range 5-200 nm). Clinically relevant alumina ceramic particles were generated in the Leeds MkII anatomical hip simulator from a Mittelmieier prosthesis using micro-separation motion. This produced particles with a bimodal size distribution. The majority (98%) of the clinically relevant alumina ceramic wear debris was 5-20 nm in size. The cytotoxicity of the clinically relevant wear particles was compared to commercially available cobalt-chromium (9.87 microm+/-5.67) and alumina ceramic (0.503+/-0.19 microm) particles. The effects of the particles on the cells over a 5 day period at different particle volume (microm(3)) to cell number ratios were tested and viability determined using ATP-Lite(TM). Clinically relevant cobalt-chromium particles 50 and 5 microm(3) per cell reduced the viability of U937 cells by 97% and 42% and reduced the viability of L929 cells by 95% and 73%, respectively. At 50 microm(3) per cell, the clinically relevant ceramic particles reduced U937 cell viability by 18%. None of the other concentrations of the clinically relevant particles were toxic. The commercial cobalt-chromium and alumina particles did not affect the viability of either the U937 histiocytes or the L929 fibroblasts.Thus at equivalent particle volumes the clinically relevant cobalt-chromium particles were more toxic then the alumina ceramic particles. This study has emphasised the fact that the nature, size and volume of particles are important in assessing biological effects of wear debris on cells in vitro.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19960016569','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19960016569"><span>High performance computing applications in neurobiological research</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Ross, Muriel D.; Cheng, Rei; Doshay, David G.; Linton, Samuel W.; Montgomery, Kevin; Parnas, Bruce R.</p> <p>1994-01-01</p> <p>The human nervous system is a massively parallel processor of information. The vast numbers of neurons, synapses and circuits is daunting to those seeking to understand the neural basis of consciousness and intellect. Pervading obstacles are lack of knowledge of the detailed, three-dimensional (3-D) organization of even a simple neural system and the paucity of large scale, biologically relevant computer simulations. We use high performance graphics workstations and supercomputers to study the 3-D organization of gravity sensors as a prototype architecture foreshadowing more complex systems. Scaled-down simulations run on a Silicon Graphics workstation and scale-up, three-dimensional versions run on the Cray Y-MP and CM5 supercomputers.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013EPJWC..5905007R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013EPJWC..5905007R"><span>Multi-dimensional PIC-simulations of parametric instabilities for shock-ignition conditions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Riconda, C.; Weber, S.; Klimo, O.; Héron, A.; Tikhonchuk, V. T.</p> <p>2013-11-01</p> <p>Laser-plasma interaction is investigated for conditions relevant for the shock-ignition (SI) scheme of inertial confinement fusion using two-dimensional particle-in-cell (PIC) simulations of an intense laser beam propagating in a hot, large-scale, non-uniform plasma. The temporal evolution and interdependence of Raman- (SRS), and Brillouin- (SBS), side/backscattering as well as Two-Plasmon-Decay (TPD) are studied. TPD is developing in concomitance with SRS creating a broad spectrum of plasma waves near the quarter-critical density. They are rapidly saturated due to plasma cavitation within a few picoseconds. The hot electron spectrum created by SRS and TPD is relatively soft, limited to energies below one hundred keV.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23013066','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23013066"><span>Using a human patient simulator to study the relationship between communication and nursing students' team performance.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hirokawa, Randy Y; Daub, Katharyn; Lovell, Eileen; Smith, Sarah; Davis, Alice; Beck, Christine</p> <p>2012-11-01</p> <p>This study examined the relationship between communication and nursing students' team performance by determining whether variations in team performance are related to differences in communication regarding five task-relevant functions: assessment, diagnosis, planning, implementation, and evaluation. The study results indicate a positive relationship between nursing students' team performance and comments focused on the implementation of treatment(s) and the evaluation of treatment options. A negative relationship between nursing students' team performance and miscellaneous comments made by team members was also observed. Copyright 2012, SLACK Incorporated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA198667','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA198667"><span>Boundary Layer Simulation and Control in Wind Tunnels</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>1988-04-01</p> <p>de l’art dans le domaine de la simulation de la couche limite, ou le nombre de Reynolds n’est pas ou ne peut pas etre simule, examine les effets ...pour la definition de certains essais en soufflerie oil les effets visqueux sont d’une importance particuliere. CONTENTS Page PREFACE iii 1...transition associated with cylindrical bodies at high incidence in subsonic flow. Other relevant references are given therein. Figures 11 a-b, from Ref</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27781970','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27781970"><span>SGEM Hot Off the Press: ultrasound during critical care simulation: a randomized crossover study.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>McKenna, Paul; Thoma, Brent; Milne, Ken; Bond, Chris</p> <p>2017-01-01</p> <p>As part of the Canadian Journal of Emergency Medicine's (CJEM) developing social media strategy, 1 we are collaborating with the Skeptics' Guide to Emergency Medicine (SGEM) to summarize and critically appraise the current emergency medicine (EM) literature using evidence-based medicine principles. In the "Hot Off the Press" series, we select original research manuscripts published in CJEM to be featured on the SGEM website/podcast 2 and discussed by the study authors and the online EM community. A similar collaboration is underway between the SGEM and Academic Emergency Medicine. What follows is a summary of the selected article the immediate post-publication synthesis from the SGEM podcast, commentary by the first author, and the subsequent discussion from the SGEM blog and other social media. Through this series, we hope to enhance the value, accessibility, and application of important, clinically relevant EM research. In this, the third SGEM HOP hosted collaboratively with CJEM, we discuss Olszynski et al.'s randomized crossover study evaluating the use of ultrasound simulator devices during critical care simulation. 3.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/18004836','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/18004836"><span>Effect of the barometric phase transition of a DMPA bilayer on the lipid/water interface. An atomistic description by molecular dynamics simulation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Casares, J J Giner; Camacho, L; Romero, M T Martín; Cascales, J J López</p> <p>2007-12-13</p> <p>Understanding the structure and dynamics of phospholipid bilayers is of fundamental relevance in biophysics, biochemistry, and chemical physics. Lipid Langmuir monolayers are used as a model of lipid bilayers, because they are much more easily studied experimentally, although some authors question the validity of this model. With the aim of throwing light on this debate, we used molecular dynamics simulations to obtain an atomistic description of a membrane of dimyristoylphosphatidic acid under different surface pressures. Our results show that at low surface pressure the interdigitation between opposite lipids (that is, back-to-back interactions) controls the system structure. In this setting and due to the absence of this effect in the Langmuir monolayers, the behavior between these two systems differs considerably. However, when the surface pressure increases the lipid interdigitation diminishes and so monolayer and bilayer behavior converges. In this work, four computer simulations were carried out, subjecting the phospholipids to lateral pressures ranging from 0.17 to 40 mN/m. The phospholipids were studied in their charged state because this approach is closer to the experimental situation. Special attention was paid to validating our simulation results by comparison with available experimental data, therebeing in general excellent agreement between experimental and simulation data. In addition, the properties of the lipid/solution interface associated with the lipid barometric phase transition were studied.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27386401','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27386401"><span>A simulation study of the impact of the public-private partnership strategy on the performance of transport infrastructure.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Huang, Zhengfeng; Zheng, Pengjun; Ma, Yanqiang; Li, Xuan; Xu, Wenjun; Zhu, Wanlu</p> <p>2016-01-01</p> <p>The choice of investment strategy has a great impact on the performance of transport infrastructure. Positive projects such as the "Subway plus Property" model in Hong Kong have created sustainable financial profits for the public transport projects. Owing to a series of public debt and other constraints, public-private partnership (PPP) was introduced as an innovative investment model to address this issue and help develop transport infrastructure. Yet, few studies provide a deeper understanding of relationships between PPP strategy and the performance of such transport projects (particularly the whole transport system). This paper defines the research scope as a regional network of freeway. With a popular PPP model, travel demand prediction method, and relevant parameters as input, agents in a simulation framework can simulate the choice of PPP freeway over time. The simulation framework can be used to analyze the relationship between the PPP strategy and performance of the regional freeway network. This study uses the Freeway Network of Yangtze River Delta (FN-YRD) in China as the context. The results demonstrate the value of using simulation models of complex transportation systems to help decision makers choose the right PPP projects. Such a tool is viewed as particularly important given the ongoing transformation of functions of the Chinese transportation sector, including franchise rights of transport projects, and freeway charging mechanism.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li class="active"><span>19</span></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_19 --> <div id="page_20" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li class="active"><span>20</span></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="381"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://files.eric.ed.gov/fulltext/ED428124.pdf','ERIC'); return false;" href="http://files.eric.ed.gov/fulltext/ED428124.pdf"><span>A Cognitive Task Analysis, with Implications for Designing a Simulation-Based Performance Assessment.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Mislevy, Robert J.; Steinberg, Linda S.; Breyer, F. Jay; Almond, Russell G.; Johnson, Lynn</p> <p></p> <p>To function effectively as a learning environment, a simulation system must present learners with situations in which they use relevant knowledge, skills, and abilities. To function effectively as an assessment, such a system must additionally be able to evoke and interpret observable evidence about targeted knowledge in a manner that is…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA567579','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA567579"><span>Advanced Chemical Modeling for Turbulent Combustion Simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2012-05-03</p> <p>premixed combustion. The chemistry work proposes a method for defining jet fuel surrogates, describes how different sub- mechanisms can be incorporated...Chemical Modeling For Turbulent Combustion Simulations Final Report submitted by: Heinz Pitsch (PI) Stanford University Mechanical Engineering Flow Physics...predict the combustion characteristics of fuel oxidation and pollutant emissions from engines . The relevant fuel chemistry must be accurately modeled</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA045224','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA045224"><span>Human Factors Topics in Flight Simulation: An Annotated Bibliography</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>1976-01-01</p> <p>and technical information; - Continuously stimulating advances in the aerospace sciences relevant to strengthening the common defence posture...Topics treated under cost effectiveness are effectiveness as a function of training procedures, physical stimulation versus psychological stimulation ...fidelity of physical stimulation . HUDDLESTON. H.F. and ROLFE, J.M. Behaviouralfactors influencing aircrew response in training and research simulators</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=clinical+AND+reasoning&pg=7&id=EJ1047136','ERIC'); return false;" href="https://eric.ed.gov/?q=clinical+AND+reasoning&pg=7&id=EJ1047136"><span>High-Fidelity Patient Simulators to Expose Undergraduate Students to the Clinical Relevance of Physiology Concepts</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Harris, David M.; Bellew, Christine; Cheng, Zixi J.; Cendán, Juan C.; Kibble, Jonathan D.</p> <p>2014-01-01</p> <p>The use of high-fidelity patient simulators (HFPSs) has expanded throughout medical, nursing, and allied health professions education in the last decades. These manikins can be programmed to represent pathological states and are used to teach clinical skills as well as clinical reasoning. First, the students are typically oriented either to the…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22722339','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22722339"><span>Virtual reality simulator: demonstrated use in neurosurgical oncology.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Clarke, David B; D'Arcy, Ryan C N; Delorme, Sebastien; Laroche, Denis; Godin, Guy; Hajra, Sujoy Ghosh; Brooks, Rupert; DiRaddo, Robert</p> <p>2013-04-01</p> <p>The overriding importance of patient safety, the complexity of surgical techniques, and the challenges associated with teaching surgical trainees in the operating room are all factors driving the need for innovative surgical simulation technologies. Despite these issues, widespread use of virtual reality simulation technology in surgery has not been fully implemented, largely because of the technical complexities in developing clinically relevant and useful models. This article describes the successful use of the NeuroTouch neurosurgical simulator in the resection of a left frontal meningioma. The widespread application of surgical simulation technology has the potential to decrease surgical risk, improve operating room efficiency, and fundamentally change surgical training.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AGUFM.H43H1748C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AGUFM.H43H1748C"><span>Simulation of Urban Rainfall-Runoff in Piedmont Cities: A Case Study in Jinan City, China</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chang, X.; Xu, Z.; Zhao, G.; Li, H.</p> <p>2017-12-01</p> <p>During the past decades, frequent flooding disasters in urban areas resulted in catastrophic impacts such as human life casualties and property damages especially in piedmont cities due to its specific topography. In this study, a piedmont urban flooding model was developed in the Huangtaiqiao catchment based on SWMM. The sub-catchments in this piedmont area were divided into mountainous area, plain area and main urban area according to the variations of underlying surface topography. The impact of different routing mode and channel roughness on simulation results was quantitatively analyzed under different types of scenarios, and genetic algorithm was used to optimize model parameters. Results show that the simulation is poor (with a mean Nash coefficient of 0.61) when using the traditional routing mode in SWMM model, which usually ignores terrain variance in piedmont area. However, when the difference of routing mode, percent routed and channel roughness are considered, the prediction precision of model were significantly increased (with a mean Nash coefficient of 0.86), indicating that the difference of surface topography significantly affects the simulation results in piedmont cities. The relevant results would provide the scientific basis and technical support for rainfall-runoff simulation, flood control and disaster alleviation in piedmont cities.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1243064-mean-state-acceleration-cloud-resolving-models-large-eddy-simulations','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1243064-mean-state-acceleration-cloud-resolving-models-large-eddy-simulations"><span>Mean-state acceleration of cloud-resolving models and large eddy simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Jones, C. R.; Bretherton, C. S.; Pritchard, M. S.</p> <p>2015-10-29</p> <p>In this study, large eddy simulations and cloud-resolving models (CRMs) are routinely used to simulate boundary layer and deep convective cloud processes, aid in the development of moist physical parameterization for global models, study cloud-climate feedbacks and cloud-aerosol interaction, and as the heart of superparameterized climate models. These models are computationally demanding, placing practical constraints on their use in these applications, especially for long, climate-relevant simulations. In many situations, the horizontal-mean atmospheric structure evolves slowly compared to the turnover time of the most energetic turbulent eddies. We develop a simple scheme to reduce this time scale separation to accelerate themore » evolution of the mean state. Using this approach we are able to accelerate the model evolution by a factor of 2–16 or more in idealized stratocumulus, shallow and deep cumulus convection without substantial loss of accuracy in simulating mean cloud statistics and their sensitivity to climate change perturbations. As a culminating test, we apply this technique to accelerate the embedded CRMs in the Superparameterized Community Atmosphere Model by a factor of 2, thereby showing that the method is robust and stable to realistic perturbations across spatial and temporal scales typical in a GCM.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22525800-relativistic-mhd-simulations-collision-induced-magnetic-dissipation-poynting-flux-dominated-jets-outflows','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22525800-relativistic-mhd-simulations-collision-induced-magnetic-dissipation-poynting-flux-dominated-jets-outflows"><span>RELATIVISTIC MHD SIMULATIONS OF COLLISION-INDUCED MAGNETIC DISSIPATION IN POYNTING-FLUX-DOMINATED JETS/OUTFLOWS</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Deng, Wei; Zhang, Bing; Li, Hui</p> <p></p> <p>We perform 3D relativistic ideal magnetohydrodynamics (MHD) simulations to study the collisions between high-σ (Poynting-flux-dominated (PFD)) blobs which contain both poloidal and toroidal magnetic field components. This is meant to mimic the interactions inside a highly variable PFD jet. We discover a significant electromagnetic field (EMF) energy dissipation with an Alfvénic rate with the efficiency around 35%. Detailed analyses show that this dissipation is mostly facilitated by the collision-induced magnetic reconnection. Additional resolution and parameter studies show a robust result that the relative EMF energy dissipation efficiency is nearly independent of the numerical resolution or most physical parameters in themore » relevant parameter range. The reconnection outflows in our simulation can potentially form the multi-orientation relativistic mini jets as needed for several analytical models. We also find a linear relationship between the σ values before and after the major EMF energy dissipation process. Our results give support to the proposed astrophysical models that invoke significant magnetic energy dissipation in PFD jets, such as the internal collision-induced magnetic reconnection and turbulence model for gamma-ray bursts, and reconnection triggered mini jets model for active galactic nuclei. The simulation movies are shown in http://www.physics.unlv.edu/∼deng/simulation1.html.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1209165-molecular-dynamics-simulation-study-early-stages-nucleation-iron-oxyhydroxide-nanoparticles-aqueous-solutions','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1209165-molecular-dynamics-simulation-study-early-stages-nucleation-iron-oxyhydroxide-nanoparticles-aqueous-solutions"><span>Molecular dynamics simulation study of the early stages of nucleation of iron oxyhydroxide nanoparticles in aqueous solutions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Zhang, Hengzhong; Waychunas, Glenn A.; Banfield, Jillian F.</p> <p>2015-07-29</p> <p>Nucleation is a fundamental step in crystal growth. Of environmental and materials relevance are reactions that lead to nucleation of iron oxyhydroxides in aqueous solutions. These reactions are difficult to study experimentally due to their rapid kinetics. Here, we used classical molecular dynamics simulations to investigate nucleation of iron hydroxide/oxyhydroxide nanoparticles in aqueous solutions. Results show that in a solution containing ferric ions and hydroxyl groups, iron–hydroxyl molecular clusters form by merging ferric monomers, dimers, and other oligomers, driven by strong affinity of ferric ions to hydroxyls. When deprotonation reactions are not considered in the simulations, these clusters aggregate tomore » form small iron hydroxide nanocrystals with a six-membered ring-like layered structure allomeric to gibbsite. By comparison, in a solution containing iron chloride and sodium hydroxide, the presence of chlorine drives cluster assembly along a different direction to form long molecular chains (rather than rings) composed of Fe–O octahedra linked by edge sharing. Further, in chlorine-free solutions, when deprotonation reactions are considered, the simulations predict ultimate formation of amorphous iron oxyhydroxide nanoparticles with local atomic structure similar to that of ferrihydrite nanoparticles. Overall, our simulation results reveal that nucleation of iron oxyhydroxide nanoparticles proceeds via a cluster aggregation-based nonclassical pathway.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20080044858&hterms=3d+formation&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D20%26Ntt%3D3d%2Bformation','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20080044858&hterms=3d+formation&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D20%26Ntt%3D3d%2Bformation"><span>Modeling the Impact of Drizzle and 3D Cloud Structure on Remote Sensing of Effective Radius</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Platnick, Steven; Zinner, Tobias; Ackerman, S.</p> <p>2008-01-01</p> <p>Remote sensing of cloud particle size with passive sensors like MODIS is an important tool for cloud microphysical studies. As a measure of the radiatively relevant droplet size, effective radius can be retrieved with different combinations of visible through shortwave infrared channels. MODIS observations sometimes show significantly larger effective radii in marine boundary layer cloud fields derived from the 1.6 and 2.1 pm channel observations than for 3.7 pm retrievals. Possible explanations range from 3D radiative transport effects and sub-pixel cloud inhomogeneity to the impact of drizzle formation on the droplet distribution. To investigate the potential influence of these factors, we use LES boundary layer cloud simulations in combination with 3D Monte Carlo simulations of MODIS observations. LES simulations of warm cloud spectral microphysics for cases of marine stratus and broken stratocumulus, each for two different values of cloud condensation nuclei density, produce cloud structures comprising droplet size distributions with and without drizzle size drops. In this study, synthetic MODIS observations generated from 3D radiative transport simulations that consider the full droplet size distribution will be generated for each scene. The operational MODIS effective radius retrievals will then be applied to the simulated reflectances and the results compared with the LES microphysics.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20010064576&hterms=permeability+distribution&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D70%26Ntt%3Dpermeability%2Bdistribution','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20010064576&hterms=permeability+distribution&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D70%26Ntt%3Dpermeability%2Bdistribution"><span>Computer Simulations of Small Molecules in Membranes: Insights from Computer Simulations into the Interactions of Small Molecules with Lipid Bilayers</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Pohorille, Andrew; New, Michael H.; Schweighofer, Karl; Wilson, Michael A.; DeVincenzi, Donald L. (Technical Monitor)</p> <p>2000-01-01</p> <p>Two of Ernest Overton's lasting contributions to biology are the Meyer-Overton relationship between the potency of an anesthetic and its solubility in oil, and the Overton rule which relates the permeability of a membrane to the oil-water partition coefficient of the permeating molecule. A growing body of experimental evidence, however, cannot be reconciled with these theories. In particular, the molecular nature of membranes, unknown to Overton, needs to be included in any description of these phenomena. Computer simulations are ideally suited for providing atomic-level information about the behavior of small molecules in membranes. The authors discuss simulation studies relevant to Overton's ideas. Through simulations it was found that anesthetics tend to concentrate at interfaces and their anesthetic potency correlates better with solubility at the water-membrane interface than with solubility in oil. Simulation studies of membrane permeation revealed the anisotropic nature of the membranes, as evidenced, for example, by the highly nonuniform distribution of free volume in the bilayer. This, in turn, influences the diffusion rates of solutes, which increase with the depth in the membrane. Small solutes tend to move by hopping between voids in the bilayer, and this hopping motion may be responsible for the deviation from the Overton rule of the permeation rates of these molecules.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27517641','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27517641"><span>Colony impact of pesticide-induced sublethal effects on honeybee workers: A simulation study using BEEHAVE.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Thorbek, Pernille; Campbell, Peter J; Thompson, Helen M</p> <p>2017-03-01</p> <p>Research on neonicotinoids and honeybees have changed focus from direct mortality to sublethal effects. In the present study, a published honeybee model, BEEHAVE, is used to compare induced colony level impact of pesticides including direct mortality, poor brood care, disorientation, and increased handling time in oilseed rape and sunflower crops. Actual effects on individual bees will depend on exposure concentrations, but in the present study large effects were enforced. In oilseed rape, poor brood care had the largest colony impact, because it created a bottleneck for spring build-up of the workforce, and colony impact for all effect types peaked 1 mo after exposure ceased. In sunflower, the later exposure changed the response so colony impact peaked during exposure, and the bottleneck was honey store build-up. In all scenarios, good forage mitigated effects substantially. It is concluded that field studies should continue at least 1 mo after exposure to ensure detection of ecologically relevant sublethal effects. The results indicated that even if a sublethal effect is difficult to detect in the field, subsequent ecologically relevant colony level impacts would be clear if studies are continued for 1 mo after exposure. Guidance for regulatory studies recommends extended observation periods, and published field studies already use extended observation periods, so it is concluded that current methods are adequate for detecting ecologically relevant sublethal effects. Although published laboratory and semifield studies conducted under controlled exposure conditions suggest that sublethal effects may occur, published field studies with neonicotinoid seed treatments, naturally foraging bees, and extended observation periods do not report colony-level effects, suggesting that in these studies no ecologically relevant sublethal effects occurred. Environ Toxicol Chem 2017;36:831-840. © 2016 SETAC. © 2016 SETAC.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25374041','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25374041"><span>Linking simulation-based educational assessments and patient-related outcomes: a systematic review and meta-analysis.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Brydges, Ryan; Hatala, Rose; Zendejas, Benjamin; Erwin, Patricia J; Cook, David A</p> <p>2015-02-01</p> <p>To examine the evidence supporting the use of simulation-based assessments as surrogates for patient-related outcomes assessed in the workplace. The authors systematically searched MEDLINE, EMBASE, Scopus, and key journals through February 26, 2013. They included original studies that assessed health professionals and trainees using simulation and then linked those scores with patient-related outcomes assessed in the workplace. Two reviewers independently extracted information on participants, tasks, validity evidence, study quality, patient-related and simulation-based outcomes, and magnitude of correlation. All correlations were pooled using random-effects meta-analysis. Of 11,628 potentially relevant articles, the 33 included studies enrolled 1,203 participants, including postgraduate physicians (n = 24 studies), practicing physicians (n = 8), medical students (n = 6), dentists (n = 2), and nurses (n = 1). The pooled correlation for provider behaviors was 0.51 (95% confidence interval [CI], 0.38 to 0.62; n = 27 studies); for time behaviors, 0.44 (95% CI, 0.15 to 0.66; n = 7); and for patient outcomes, 0.24 (95% CI, -0.02 to 0.47; n = 5). Most reported validity evidence was favorable, though studies often included only correlational evidence. Validity evidence of internal structure (n = 13 studies), content (n = 12), response process (n = 2), and consequences (n = 1) were reported less often. Three tools showed large pooled correlations and favorable (albeit incomplete) validity evidence. Simulation-based assessments often correlate positively with patient-related outcomes. Although these surrogates are imperfect, tools with established validity evidence may replace workplace-based assessments for evaluating select procedural skills.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015MNRAS.454.2381G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015MNRAS.454.2381G"><span>Biases and systematics in the observational derivation of galaxy properties: comparing different techniques on synthetic observations of simulated galaxies</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Guidi, Giovanni; Scannapieco, Cecilia; Walcher, C. Jakob</p> <p>2015-12-01</p> <p>We study the sources of biases and systematics in the derivation of galaxy properties from observational studies, focusing on stellar masses, star formation rates, gas and stellar metallicities, stellar ages, magnitudes and colours. We use hydrodynamical cosmological simulations of galaxy formation, for which the real quantities are known, and apply observational techniques to derive the observables. We also analyse biases that are relevant for a proper comparison between simulations and observations. For our study, we post-process the simulation outputs to calculate the galaxies' spectral energy distributions (SEDs) using stellar population synthesis models and also generate the fully consistent far-UV-submillimetre wavelength SEDs with the radiative transfer code SUNRISE. We compared the direct results of simulations with the observationally derived quantities obtained in various ways, and found that systematic differences in all studied galaxy properties appear, which are caused by: (1) purely observational biases, (2) the use of mass-weighted and luminosity-weighted quantities, with preferential sampling of more massive and luminous regions, (3) the different ways of constructing the template of models when a fit to the spectra is performed, and (4) variations due to different calibrations, most notably for gas metallicities and star formation rates. Our results show that large differences can appear depending on the technique used to derive galaxy properties. Understanding these differences is of primary importance both for simulators, to allow a better judgement of similarities and differences with observations, and for observers, to allow a proper interpretation of the data.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27063730','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27063730"><span>Multi-Conformation Monte Carlo: A Method for Introducing Flexibility in Efficient Simulations of Many-Protein Systems.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Prytkova, Vera; Heyden, Matthias; Khago, Domarin; Freites, J Alfredo; Butts, Carter T; Martin, Rachel W; Tobias, Douglas J</p> <p>2016-08-25</p> <p>We present a novel multi-conformation Monte Carlo simulation method that enables the modeling of protein-protein interactions and aggregation in crowded protein solutions. This approach is relevant to a molecular-scale description of realistic biological environments, including the cytoplasm and the extracellular matrix, which are characterized by high concentrations of biomolecular solutes (e.g., 300-400 mg/mL for proteins and nucleic acids in the cytoplasm of Escherichia coli). Simulation of such environments necessitates the inclusion of a large number of protein molecules. Therefore, computationally inexpensive methods, such as rigid-body Brownian dynamics (BD) or Monte Carlo simulations, can be particularly useful. However, as we demonstrate herein, the rigid-body representation typically employed in simulations of many-protein systems gives rise to certain artifacts in protein-protein interactions. Our approach allows us to incorporate molecular flexibility in Monte Carlo simulations at low computational cost, thereby eliminating ambiguities arising from structure selection in rigid-body simulations. We benchmark and validate the methodology using simulations of hen egg white lysozyme in solution, a well-studied system for which extensive experimental data, including osmotic second virial coefficients, small-angle scattering structure factors, and multiple structures determined by X-ray and neutron crystallography and solution NMR, as well as rigid-body BD simulation results, are available for comparison.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AAS...23123722W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AAS...23123722W"><span>Arcus end-to-end simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wilms, Joern; Guenther, H. Moritz; Dauser, Thomas; Huenemoerder, David P.; Ptak, Andrew; Smith, Randall; Arcus Team</p> <p>2018-01-01</p> <p>We present an overview of the end-to-end simulation environment that we are implementing as part of the Arcus phase A Study. With the rcus simulator, we aim to to model the imaging, detection, and event reconstruction properties of the spectrometer. The simulator uses a Monte Carlo ray-trace approach, projecting photons onto the Arcus focal plane from the silicon pore optic mirrors and critical-angle transmission gratings. We simulate the detection and read-out of the photons in the focal plane CCDs with software originally written for the eROSITA and Athena-WFI detectors; we include all relevant detector physics, such as charge splitting, and effects of the detector read-out, such as out of time events. The output of the simulation chain is an event list that closely resembles the data expected during flight. This event list is processed using a prototype event reconstruction chain for the order separation, wavelength calibration, and effective area calibration. The output is compatible with standard X-ray astronomical analysis software.During phase A, the end-to-end simulation approach is used to demonstrate the overall performance of the mission, including a full simulation of the calibration effort. Continued development during later phases of the mission will ensure that the simulator remains a faithful representation of the true mission capabilities, and will ultimately be used as the Arcus calibration model.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AIPC.1896c0003D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AIPC.1896c0003D"><span>On the relevance of modeling viscoelastic bending behavior in finite element forming simulation of continuously fiber reinforced thermoplastics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Dörr, Dominik; Schirmaier, Fabian J.; Henning, Frank; Kärger, Luise</p> <p>2017-10-01</p> <p>Finite Element (FE) forming simulation offers the possibility of a detailed analysis of the deformation behavior of multilayered thermoplastic blanks during forming, considering material behavior and process conditions. Rate-dependent bending behavior is a material characteristic, which is so far not considered in FE forming simulation of pre-impregnated, continuously fiber reinforced polymers (CFRPs). Therefore, an approach for modeling viscoelastic bending behavior in FE composite forming simulation is presented in this work. The presented approach accounts for the distinct rate-dependent bending behavior of e.g. thermoplastic CFRPs at process conditions. The approach is based on a Voigt-Kelvin (VK) and a generalized Maxwell (GM) approach, implemented within a FE forming simulation framework implemented in several user-subroutines of the commercially available FE solver Abaqus. The VK, GM, as well as purely elastic bending modeling approaches are parameterized according to dynamic bending characterization results for a PA6-CF UD-tape. It is found that only the GM approach is capable to represent the bending deformation characteristic for all of the considered bending deformation rates. The parameterized bending modeling approaches are applied to a hemisphere test and to a generic geometry. A comparison of the forming simulation results of the generic geometry to experimental tests show a good agreement between simulation and experiments. Furthermore, the simulation results reveal that especially a correct modeling of the initial bending stiffness is relevant for the prediction of wrinkling behavior, as a similar onset of wrinkles is observed for the GM, the VK and an elastic approach, fitted to the stiffness observed in the dynamic rheometer test for low curvatures. Hence, characterization and modeling of rate-dependent bending behavior is crucial for FE forming simulation of thermoplastic CFRPs.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20120002766','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20120002766"><span>ISRU Soil Mechanics Vacuum Facility: Soil Bin Preparation and Simulant Strength Characterization</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Kleinhenz, Julie; Wilkinson, Allen</p> <p>2012-01-01</p> <p>Testing in relevant environments is key to exploration mission hardware development. This is true on both the component level (in early development) and system level (in late development stages). During ISRU missions the hardware will interface with the soil (digging, roving, etc) in a vacuum environment. A relevant test environment will therefore involve a vacuum chamber with a controlled, conditioned simulant bed. However, in earth-based granular media, such as lunar soil simulant, gases trapped within the material pore structures and water adsorbed to all particle surfaces will release when exposed to vacuum. Early vacuum testing has shown that this gas release can occur violently, which loosens and weakens the simulant, altering the consolidation state. The Vacuum Facility #13, a mid-size chamber (3.66m tall, 1.5m inner diameter) at the NASA Glenn Research Center has been modified to create a soil mechanics test facility. A 0.64m deep by 0.914m square metric ton bed of lunar simulant was placed under vacuum using a variety of pumping techniques. Both GRC-3 and LHT-3M simulant types have been used. An electric cone penetrometer was used to measure simulant strength properties at vacuum including: cohesion, friction angle, bulk density and shear modulus. Simulant disruptions, caused by off gassing, affected the strength properties, but could be mitigated by reducing pump rate. No disruptions were observed at pressures below 2.5Torr, regardless of the pump rate. However, slow off gassing of the soil lead to long test times, a full week, to reach 10-5Torr. This work highlights the need for robotic machine-simulant hardware and operations in vacuum to expeditiously perform (sub-)systems tests.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21642906','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21642906"><span>Design and evaluation of simulation scenarios for a program introducing patient safety, teamwork, safety leadership, and simulation to healthcare leaders and managers.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cooper, Jeffrey B; Singer, Sara J; Hayes, Jennifer; Sales, Michael; Vogt, Jay W; Raemer, Daniel; Meyer, Gregg S</p> <p>2011-08-01</p> <p>We developed a training program to introduce managers and informal leaders of healthcare organizations to key concepts of teamwork, safety leadership, and simulation to motivate them to act as leaders to improve safety within their sphere of influence. This report describes the simulation scenario and debriefing that are core elements of that program. Twelve teams of clinician and nonclinician managers were selected from a larger set of volunteers to participate in a 1-day, multielement training program. Two simulation exercises were developed: one for teams of nonclinicians and the other for clinicians or mixed groups. The scenarios represented two different clinical situations, each designed to engage participants in discussions of their safety leadership and teamwork issues immediately after the experience. In the scenarios for nonclinicians, participants conducted an anesthetic induction and then managed an ethical situation. The scenario for clinicians simulated a consulting visit to an emergency room that evolved into a problem-solving challenge. Participants in this scenario had a limited time to prepare advice for hospital leadership on how to improve observed safety and cultural deficiencies. Debriefings after both types of scenarios were conducted using principles of "debriefing with good judgment." We assessed the relevance and impact of the program by analyzing participant reactions to the simulation through transcript data and facilitator observations as well as a postcourse questionnaire. The teams generally reported positive perceptions of the relevance and quality of the simulation with varying types and degrees of impact on their leadership and teamwork behaviors. These kinds of clinical simulation exercises can be used to teach healthcare leaders and managers safety leadership and teamwork skills and behaviors.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25515222','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25515222"><span>In vitro method for assessing the biomechanics of the patellofemoral joint following total knee arthroplasty.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Coles, L G; Gheduzzi, S; Miles, A W</p> <p>2014-12-01</p> <p>The patellofemoral joint is a common site of pain and failure following total knee arthroplasty. A contributory factor may be adverse patellofemoral biomechanics. Cadaveric investigations are commonly used to assess the biomechanics of the joint, but are associated with high inter-specimen variability and often cannot be carried out at physiological levels of loading. This study aimed to evaluate the suitability of a novel knee simulator for investigating patellofemoral joint biomechanics. This simulator specifically facilitated the extended assessment of patellofemoral joint biomechanics under physiological levels of loading. The simulator allowed the knee to move in 6 degrees of freedom under quadriceps actuation and included a simulation of the action of the hamstrings. Prostheses were implanted on synthetic bones and key soft tissues were modelled with a synthetic analogue. In order to evaluate the physiological relevance and repeatability of the simulator, measurements were made of the quadriceps force and the force, contact area and pressure within the patellofemoral joint using load cells, pressure-sensitive film, and a flexible pressure sensor. The results were in agreement with those previously reported in the literature, confirming that the simulator is able to provide a realistic physiological loading situation. Under physiological loading, average standard deviations of force and area measurements were substantially lower and comparable to those reported in previous cadaveric studies, respectively. The simulator replicates the physiological environment and has been demonstrated to allow the initial investigation of factors affecting patellofemoral biomechanics following total knee arthroplasty. © IMechE 2014.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li class="active"><span>20</span></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_20 --> <div id="page_21" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li class="active"><span>21</span></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="401"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27429411','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27429411"><span>The evaluation of a framework for measuring the non-technical ward round skills of final year nursing students: An observational study.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Murray, Kara; McKenzie, Karen; Kelleher, Michael</p> <p>2016-10-01</p> <p>The importance of non-technical skills (NTS) to patient outcomes is increasingly being recognised, however, there is limited research into how such skills can be taught and evaluated in student nurses in relation toward rounds. This pilot study describes an evaluation of a NTS framework that could potentially be used to measure ward round skills of student nurses. The study used an observational design. Potential key NTS were identified from existing literature and NTS taxonomies. The proposed framework was then used to evaluate whether the identified NTS were evident in a series of ward round simulations that final year general nursing students undertook as part of their training. Finally, the views of a small group of qualified nurse educators, qualified nurses and general nursing students were sought about whether the identified NTS were important and relevant to practice. The proposed NTS framework included seven categories: Communication, Decision Making, Situational Awareness, Teamwork and Task Management, Student Initiative and Responsiveness to Patient. All were rated as important and relevant to practice. The pilot study suggests that the proposed NTS framework could be used as a means of evaluating student nurse competencies in respect of many non-technical skills required for a successful ward round. Further work is required to establish the validity of the framework in educational settings and to determine the extent to which it is of use in a non-simulated ward round setting. Copyright © 2016 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28358489','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28358489"><span>Facet-Specific Adsorption of Tripeptides at Aqueous Au Interfaces: Open Questions in Reconciling Experiment and Simulation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hughes, Zak E; Kochandra, Raji; Walsh, Tiffany R</p> <p>2017-04-18</p> <p>The adsorption of three homo-tripeptides, HHH, YYY, and SSS, at the aqueous Au interface is investigated, using molecular dynamics simulations. We find that consideration of surface facet effects, relevant to experimental conditions, opens up new questions regarding interpretations of current experimental findings. Our well-tempered metadynamics simulations predict the rank ordering of the tripeptide binding affinities at aqueous Au(111) to be YYY > HHH > SSS. This ranking differs with that obtained from existing experimental data which used surface-immobilized Au nanoparticles as the target substrate. The influence of Au facet on these experimental findings is then considered, via our binding strength predictions of the relevant amino acids at aqueous Au(111) and Au(100)(1 × 1). The Au(111) interface supports an amino acid ranking of Tyr > HisA ≃ HisH > Ser, matching that of the tripeptides on Au(111), while the ranking on Au(100) is HisA > Ser ≃ Tyr ≃ HisH, with only HisA showing non-negligible binding. The substantial reduction in Tyr amino acid affinity for Au(100) vs Au(111) offers one possible explanation for the experimentally observed weaker adsorption of YYY on the nanoparticle-immobilized substrate compared with HHH. In a separate set of simulations, we predict the structures of the adsorbed tripeptides at the two aqueous Au facets, revealing facet-dependent differences in the adsorbed conformations. Our findings suggest that Au facet effects, where relevant, may influence the adsorption structures and energetics of biomolecules, highlighting the possible influence of the structural model used to interpret experimental binding data.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4469198','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4469198"><span>Experimental and Computational Studies of Sound Transmission in a Branching Airway Network Embedded in a Compliant Viscoelastic Medium</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Dai, Zoujun; Peng, Ying; Mansy, Hansen A.; Sandler, Richard H.; Royston, Thomas J.</p> <p>2015-01-01</p> <p>Breath sounds are often used to aid in the diagnosis of pulmonary disease. Mechanical and numerical models could be used to enhance our understanding of relevant sound transmission phenomena. Sound transmission in an airway mimicking phantom was investigated using a mechanical model with a branching airway network embedded in a compliant viscoelastic medium. The Horsfield self-consistent model for the bronchial tree was adopted to topologically couple the individual airway segments into the branching airway network. The acoustics of the bifurcating airway segments were measured by microphones and calculated analytically. Airway phantom surface motion was measured using scanning laser Doppler vibrometry. Finite element simulations of sound transmission in the airway phantom were performed. Good agreement was achieved between experiments and simulations. The validated computational approach can provide insight into sound transmission simulations in real lungs. PMID:26097256</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JSV...339..215D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JSV...339..215D"><span>Experimental and computational studies of sound transmission in a branching airway network embedded in a compliant viscoelastic medium</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Dai, Zoujun; Peng, Ying; Mansy, Hansen A.; Sandler, Richard H.; Royston, Thomas J.</p> <p>2015-03-01</p> <p>Breath sounds are often used to aid in the diagnosis of pulmonary disease. Mechanical and numerical models could be used to enhance our understanding of relevant sound transmission phenomena. Sound transmission in an airway mimicking phantom was investigated using a mechanical model with a branching airway network embedded in a compliant viscoelastic medium. The Horsfield self-consistent model for the bronchial tree was adopted to topologically couple the individual airway segments into the branching airway network. The acoustics of the bifurcating airway segments were measured by microphones and calculated analytically. Airway phantom surface motion was measured using scanning laser Doppler vibrometry. Finite element simulations of sound transmission in the airway phantom were performed. Good agreement was achieved between experiments and simulations. The validated computational approach can provide insight into sound transmission simulations in real lungs.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016GMS...216...31S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016GMS...216...31S"><span>Low-Frequency Waves in HF Heating of the Ionosphere</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sharma, A. S.; Eliasson, B.; Milikh, G. M.; Najmi, A.; Papadopoulos, K.; Shao, X.; Vartanyan, A.</p> <p>2016-02-01</p> <p>Ionospheric heating experiments have enabled an exploration of the ionosphere as a large-scale natural laboratory for the study of many plasma processes. These experiments inject high-frequency (HF) radio waves using high-power transmitters and an array of ground- and space-based diagnostics. This chapter discusses the excitation and propagation of low-frequency waves in HF heating of the ionosphere. The theoretical aspects and the associated models and simulations, and the results from experiments, mostly from the HAARP facility, are presented together to provide a comprehensive interpretation of the relevant plasma processes. The chapter presents the plasma model of the ionosphere for describing the physical processes during HF heating, the numerical code, and the simulations of the excitation of low-frequency waves by HF heating. It then gives the simulations of the high-latitude ionosphere and mid-latitude ionosphere. The chapter also briefly discusses the role of kinetic processes associated with wave generation.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017NucFu..57k6020I','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017NucFu..57k6020I"><span>Active stabilization of error field penetration via control field and bifurcation of its stable frequency range</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Inoue, S.; Shiraishi, J.; Takechi, M.; Matsunaga, G.; Isayama, A.; Hayashi, N.; Ide, S.</p> <p>2017-11-01</p> <p>An active stabilization effect of a rotating control field against an error field penetration is numerically studied. We have developed a resistive magnetohydrodynamic code ‘AEOLUS-IT’, which can simulate plasma responses to rotating/static external magnetic field. Adopting non-uniform flux coordinates system, the AEOLUS-IT simulation can employ high magnetic Reynolds number condition relevant to present tokamaks. By AEOLUS-IT, we successfully clarified the stabilization mechanism of the control field against the error field penetration. Physical processes of a plasma rotation drive via the control field are demonstrated by the nonlinear simulation, which reveals that the rotation amplitude at a resonant surface is not a monotonic function of the control field frequency, but has an extremum. Consequently, two ‘bifurcated’ frequency ranges of the control field are found for the stabilization of the error field penetration.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JChPh.145o4113D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JChPh.145o4113D"><span>A fast, open source implementation of adaptive biasing potentials uncovers a ligand design strategy for the chromatin regulator BRD4</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Dickson, Bradley M.; de Waal, Parker W.; Ramjan, Zachary H.; Xu, H. Eric; Rothbart, Scott B.</p> <p>2016-10-01</p> <p>In this communication we introduce an efficient implementation of adaptive biasing that greatly improves the speed of free energy computation in molecular dynamics simulations. We investigated the use of accelerated simulations to inform on compound design using a recently reported and clinically relevant inhibitor of the chromatin regulator BRD4 (bromodomain-containing protein 4). Benchmarking on our local compute cluster, our implementation achieves up to 2.5 times more force calls per day than plumed2. Results of five 1 μs-long simulations are presented, which reveal a conformational switch in the BRD4 inhibitor between a binding competent and incompetent state. Stabilization of the switch led to a -3 kcal/mol improvement of absolute binding free energy. These studies suggest an unexplored ligand design principle and offer new actionable hypotheses for medicinal chemistry efforts against this druggable epigenetic target class.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JPhCS.753h2025R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JPhCS.753h2025R"><span>Reliability of numerical wind tunnels for VAWT simulation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Raciti Castelli, M.; Masi, M.; Battisti, L.; Benini, E.; Brighenti, A.; Dossena, V.; Persico, G.</p> <p>2016-09-01</p> <p>Computational Fluid Dynamics (CFD) based on the Unsteady Reynolds Averaged Navier Stokes (URANS) equations have long been widely used to study vertical axis wind turbines (VAWTs). Following a comprehensive experimental survey on the wakes downwind of a troposkien-shaped rotor, a campaign of bi-dimensional simulations is presented here, with the aim of assessing its reliability in reproducing the main features of the flow, also identifying areas needing additional research. Starting from both a well consolidated turbulence model (k-ω SST) and an unstructured grid typology, the main simulation settings are here manipulated in a convenient form to tackle rotating grids reproducing a VAWT operating in an open jet wind tunnel. The dependence of the numerical predictions from the selected grid spacing is investigated, thus establishing the less refined grid size that is still capable of capturing some relevant flow features such as integral quantities (rotor torque) and local ones (wake velocities).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22493384-systematic-coarse-grained-modeling-complexation-between-small-interfering-rna-polycations','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22493384-systematic-coarse-grained-modeling-complexation-between-small-interfering-rna-polycations"><span>Systematic coarse-grained modeling of complexation between small interfering RNA and polycations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Wei, Zonghui; Luijten, Erik, E-mail: luijten@northwestern.edu; Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208</p> <p></p> <p>All-atom molecular dynamics simulations can provide insight into the properties of polymeric gene-delivery carriers by elucidating their interactions and detailed binding patterns with nucleic acids. However, to explore nanoparticle formation through complexation of these polymers and nucleic acids and study their behavior at experimentally relevant time and length scales, a reliable coarse-grained model is needed. Here, we systematically develop such a model for the complexation of small interfering RNA (siRNA) and grafted polyethyleneimine copolymers, a promising candidate for siRNA delivery. We compare the predictions of this model with all-atom simulations and demonstrate that it is capable of reproducing detailed bindingmore » patterns, charge characteristics, and water release kinetics. Since the coarse-grained model accelerates the simulations by one to two orders of magnitude, it will make it possible to quantitatively investigate nanoparticle formation involving multiple siRNA molecules and cationic copolymers.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28731736','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28731736"><span>Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Piaggi, Pablo M; Valsson, Omar; Parrinello, Michele</p> <p>2017-07-07</p> <p>Crystallization is a process of great practical relevance in which rare but crucial fluctuations lead to the formation of a solid phase starting from the liquid. As in all first order first transitions, there is an interplay between enthalpy and entropy. Based on this idea, in order to drive crystallization in molecular simulations, we introduce two collective variables, one enthalpic and the other entropic. Defined in this way, these collective variables do not prejudge the structure into which the system is going to crystallize. We show the usefulness of this approach by studying the cases of sodium and aluminum that crystallize in the bcc and fcc crystalline structures, respectively. Using these two generic collective variables, we perform variationally enhanced sampling and well tempered metadynamics simulations and find that the systems transform spontaneously and reversibly between the liquid and the solid phases.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2001APS..MARZ27010P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2001APS..MARZ27010P"><span>Worm Algorithm simulations of the hole dynamics in the t-J model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Prokof'ev, Nikolai; Ruebenacker, Oliver</p> <p>2001-03-01</p> <p>In the limit of small J << t, relevant for HTSC materials and Mott-Hubbard systems, computer simulations have to be performed for large systems and at low temperatures. Despite convincing evidence against spin-charge separation obtained by various methods for J > 0.4t there is an ongoing argument that at smaller J spin-charge separation is still possible. Worm algorithm Monte Carlo simulations of the hole Green function for 0.1 < J/t < 0.4 were performed on lattices with up to 32x32 sites, and at temperature J/T = 40 (for the largest size). Spectral analysis reveals a single, delta-function sharp quasiparticle peak at the lowest edge of the spectrum and two distinct peaks above it at all studied J. We rule out the possibility of spin-charge separation in this parameter range, and present, apparently, the hole spectral function in the thermodynamic limit.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009cct2.book..927L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009cct2.book..927L"><span>Design of Measure and Control System for Precision Pesticide Deploying Dynamic Simulating Device</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Liang, Yong; Liu, Pingzeng; Wang, Lu; Liu, Jiping; Wang, Lang; Han, Lei; Yang, Xinxin</p> <p></p> <p>A measure and control system for precision deploying pesticide simulating equipment is designed in order to study pesticide deployment technology. The system can simulate every state of practical pesticide deployment, and carry through precise, simultaneous measure to every factor affecting pesticide deployment effects. The hardware and software incorporates a structural design of modularization. The system is divided into many different function modules of hardware and software, and exploder corresponding modules. The modules’ interfaces are uniformly defined, which is convenient for module connection, enhancement of system’s universality, explodes efficiency and systemic reliability, and make the program’s characteristics easily extended and easy maintained. Some relevant hardware and software modules can be adapted to other measures and control systems easily. The paper introduces the design of special numeric control system, the main module of information acquisition system and the speed acquisition module in order to explain the design process of the module.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5074994','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5074994"><span>A fast, open source implementation of adaptive biasing potentials uncovers a ligand design strategy for the chromatin regulator BRD4</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Dickson, Bradley M.; Ramjan, Zachary H.; Xu, H. Eric</p> <p>2016-01-01</p> <p>In this communication we introduce an efficient implementation of adaptive biasing that greatly improves the speed of free energy computation in molecular dynamics simulations. We investigated the use of accelerated simulations to inform on compound design using a recently reported and clinically relevant inhibitor of the chromatin regulator BRD4 (bromodomain-containing protein 4). Benchmarking on our local compute cluster, our implementation achieves up to 2.5 times more force calls per day than plumed2. Results of five 1 μs-long simulations are presented, which reveal a conformational switch in the BRD4 inhibitor between a binding competent and incompetent state. Stabilization of the switch led to a −3 kcal/mol improvement of absolute binding free energy. These studies suggest an unexplored ligand design principle and offer new actionable hypotheses for medicinal chemistry efforts against this druggable epigenetic target class. PMID:27782467</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22802035','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22802035"><span>Enhanced embodied response following ambiguous emotional processing.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Beffara, Brice; Ouellet, Marc; Vermeulen, Nicolas; Basu, Anamitra; Morisseau, Tiffany; Mermillod, Martial</p> <p>2012-08-01</p> <p>It has generally been assumed that high-level cognitive and emotional processes are based on amodal conceptual information. In contrast, however, "embodied simulation" theory states that the perception of an emotional signal can trigger a simulation of the related state in the motor, somatosensory, and affective systems. To study the effect of social context on the mimicry effect predicted by the "embodied simulation" theory, we recorded the electromyographic (EMG) activity of participants when looking at emotional facial expressions. We observed an increase in embodied responses when the participants were exposed to a context involving social valence before seeing the emotional facial expressions. An examination of the dynamic EMG activity induced by two socially relevant emotional expressions (namely joy and anger) revealed enhanced EMG responses of the facial muscles associated with the related social prime (either positive or negative). These results are discussed within the general framework of embodiment theory.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29414513','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29414513"><span>Exploring RNA structure and dynamics through enhanced sampling simulations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Mlýnský, Vojtěch; Bussi, Giovanni</p> <p>2018-04-01</p> <p>RNA function is intimately related to its structural dynamics. Molecular dynamics simulations are useful for exploring biomolecular flexibility but are severely limited by the accessible timescale. Enhanced sampling methods allow this timescale to be effectively extended in order to probe biologically relevant conformational changes and chemical reactions. Here, we review the role of enhanced sampling techniques in the study of RNA systems. We discuss the challenges and promises associated with the application of these methods to force-field validation, exploration of conformational landscapes and ion/ligand-RNA interactions, as well as catalytic pathways. Important technical aspects of these methods, such as the choice of the biased collective variables and the analysis of multi-replica simulations, are examined in detail. Finally, a perspective on the role of these methods in the characterization of RNA dynamics is provided. Copyright © 2018 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24313865','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24313865"><span>Molecular simulation study of the competitive adsorption of H2O and CO2 in zeolite 13X.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Joos, Lennart; Swisher, Joseph A; Smit, Berend</p> <p>2013-12-23</p> <p>The presence of H2O in postcombustion gas streams is an important technical issue for deploying CO2-selective adsorbents. Because of its permanent dipole, H2O can interact strongly with materials where the selectivity for CO2 is a consequence of its quadrupole interacting with charges in the material. We performed molecular simulations to model the adsorption of pure H2O and CO2 as well as H2O/CO2 mixtures in 13X, a popular zeolite for CO2 capture processes that is commercially available. The simulations show that H2O reduces the capacity of these materials for adsorbing CO2 by an order of magnitude and that at the partial pressures of H2O relevant for postcombustion capture, 13X will be essentially saturated with H2O .</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1996PhRvE..53.1923D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1996PhRvE..53.1923D"><span>Discontinuous decompaction of a falling sandpile</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Duran, J.; Mazozi, T.; Luding, S.; Clément, E.; Rajchenbach, J.</p> <p>1996-02-01</p> <p>We investigate experimentally and via computer simulations the fall of a two dimensional granular material in a rectangular container with friction only at lateral walls. We study the decompaction modes of the granular assembly, which is a basic question relevant to the general dynamics of a noncohesive powder. We observe during the fall the possible occurrence of successive cracks splitting the initial pile into smaller blocks as time passes. These cracks preferentially occur in the lower part of the array, resulting in an ascending decompaction wave in the bulk. We show experimentally how this effect is related to the surface roughness of the boundaries. A heuristic continuum theory is proposed that rationalizes the experimental results. Furthermore, event driven simulations, including particle rotations and friction, parallel nicely the experimental observations. In the simulations, we find strong pressure fluctuations at the boundaries correlated to the occurrence of arches.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017SPIE10388E..0MF','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017SPIE10388E..0MF"><span>Simulations of single-particle imaging of hydrated proteins with x-ray free-electron lasers</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Fortmann-Grote, C.; Bielecki, J.; Jurek, Z.; Santra, R.; Ziaja-Motyka, B.; Mancuso, A. P.</p> <p>2017-08-01</p> <p>We employ start-to-end simulations to model coherent diffractive imaging of single biomolecules using x-ray free electron lasers. This technique is expected to yield new structural information about biologically relevant macromolecules thanks to the ability to study the isolated sample in its natural environment as opposed to crystallized or cryogenic samples. The effect of the solvent on the diffraction pattern and interpretability of the data is an open question. We present first results of calculations where the solvent is taken into account explicitly. They were performed with a molecular dynamics scheme for a sample consisting of a protein and a hydration layer of varying thickness. Through R-factor analysis of the simulated diffraction patterns from hydrated samples, we show that the scattering background from realistic hydration layers of up to 3 Å thickness presents no obstacle for the resolution of molecular structures at the sub-nm level.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/15690343','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/15690343"><span>MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Fogolari, Federico; Moroni, Elisabetta; Wojciechowski, Marcin; Baginski, Maciej; Ragona, Laura; Molinari, Henriette</p> <p>2005-04-01</p> <p>The pH-driven opening and closure of beta-lactoglobulin EF loop, acting as a lid and closing the internal cavity of the protein, has been studied by molecular dynamics (MD) simulations and free energy calculations based on molecular mechanics/Poisson-Boltzmann (PB) solvent-accessible surface area (MM/PBSA) methodology. The forms above and below the transition pH differ presumably only in the protonation state of residue Glu89. MM/PBSA calculations are able to reproduce qualitatively the thermodynamics of the transition. The analysis of MD simulations using a combination of MM/PBSA methodology and the colony energy approach is able to highlight the driving forces implied in the transition. The analysis suggests that global rearrangements take place before the equilibrium local conformation is reached. This conclusion may bear general relevance to conformational transitions in all lipocalins and proteins in general. (c) 2005 Wiley-Liss, Inc.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23238421','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23238421"><span>Monte Carlo modeling of light-tissue interactions in narrow band imaging.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Le, Du V N; Wang, Quanzeng; Ramella-Roman, Jessica C; Pfefer, T Joshua</p> <p>2013-01-01</p> <p>Light-tissue interactions that influence vascular contrast enhancement in narrow band imaging (NBI) have not been the subject of extensive theoretical study. In order to elucidate relevant mechanisms in a systematic and quantitative manner we have developed and validated a Monte Carlo model of NBI and used it to study the effect of device and tissue parameters, specifically, imaging wavelength (415 versus 540 nm) and vessel diameter and depth. Simulations provided quantitative predictions of contrast-including up to 125% improvement in small, superficial vessel contrast for 415 over 540 nm. Our findings indicated that absorption rather than scattering-the mechanism often cited in prior studies-was the dominant factor behind spectral variations in vessel depth-selectivity. Narrow-band images of a tissue-simulating phantom showed good agreement in terms of trends and quantitative values. Numerical modeling represents a powerful tool for elucidating the factors that affect the performance of spectral imaging approaches such as NBI.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li class="active"><span>21</span></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_21 --> <div id="page_22" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li class="active"><span>22</span></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="421"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007AcAau..60..336R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007AcAau..60..336R"><span>Psychological adaptation and salutogenesis in space: Lessons from a series of studies</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ritsher, J. B.; Kanas, N. A.; Ihle, E. C.; Saylor, S. A.</p> <p>2007-02-01</p> <p>Individuals who adapt positively to an inhospitable or extreme environment can derive benefit from their experiences. This positive effect may include an initial improvement in mental health as someone adjusts to the environment (adaptation) as well as more sustained personal growth during the mission (salutogenesis). We review relevant findings from our prior work, including two post-mission surveys of astronauts and cosmonauts, and three studies of crewmembers during missions in a space station simulator, the Mir space station, and the International Space Station (ISS). We also present new analyses showing evidence for adaptation to ISS missions. This finding replicates our previous results from the simulation study, but this effect was not found on the Mir. A better understanding of psychological adaptation and salutogenesis during space flight should help us develop strategies to enhance crewmembers' in-flight stress tolerance and post-flight adjustment.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006SPIE.6066E..0MK','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006SPIE.6066E..0MK"><span>Reconstruction of quadratic curves in 3D using two or more perspective views: simulation studies</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kumar, Sanjeev; Sukavanam, N.; Balasubramanian, R.</p> <p>2006-01-01</p> <p>The shapes of many natural and man-made objects have planar and curvilinear surfaces. The images of such curves usually do not have sufficient distinctive features to apply conventional feature-based reconstruction algorithms. In this paper, we describe a method of reconstruction of a quadratic curve in 3-D space as an intersection of two cones containing the respective projected curve images. The correspondence between this pair of projections of the curve is assumed to be established in this work. Using least-square curve fitting, the parameters of a curve in 2-D space are found. From this we are reconstructing the 3-D quadratic curve. Relevant mathematical formulations and analytical solutions for obtaining the equation of reconstructed curve are given. The result of the described reconstruction methodology are studied by simulation studies. This reconstruction methodology is applicable to LBW decision in cricket, path of the missile, Robotic Vision, path lanning etc.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22056010','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22056010"><span>Natural gas operations: considerations on process transients, design, and control.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Manenti, Flavio</p> <p>2012-03-01</p> <p>This manuscript highlights tangible benefits deriving from the dynamic simulation and control of operational transients of natural gas processing plants. Relevant improvements in safety, controllability, operability, and flexibility are obtained not only within the traditional applications, i.e. plant start-up and shutdown, but also in certain fields apparently time-independent such as the feasibility studies of gas processing plant layout and the process design of processes. Specifically, this paper enhances the myopic steady-state approach and its main shortcomings with respect to the more detailed studies that take into consideration the non-steady state behaviors. A portion of a gas processing facility is considered as case study. Process transients, design, and control solutions apparently more appealing from a steady-state approach are compared to the corresponding dynamic simulation solutions. Copyright © 2011 ISA. Published by Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015ITNS...62.2216L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015ITNS...62.2216L"><span>Large-Angle Scattering of Multi-GeV Muons on Thin Lead Targets</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Longhin, A.; Paoloni, A.; Pupilli, F.</p> <p>2015-10-01</p> <p>The probability of large-angle scattering for multi-GeV muons in lead targets with a thickness of O(10 - 1) radiation lengths is studied. The new estimates presented here are based both on simulation programs (GEANT4 libraries) and theoretical calculations. In order to validate the results provided by simulation, a comparison is drawn with experimental data from the literature. This study is particularly relevant when applied to muons originating from νμ CC interactions of CNGS beam neutrinos. In that circumstance the process under study represents the dominant background for the νμ → ντ search in the τ→ μ channel for the OPERA experiment at LNGS. Finally we also investigate, in the CNGS context, possible contributions from the muon photo-nuclear process which might in principle also produce a large-angle muon scattering signature in the detector.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/6511289-thermal-hydraulic-simulation-natural-convection-decay-heat-removal-high-flux-isotope-reactor-using-relap5-tempest-part-models-simulation-results','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/6511289-thermal-hydraulic-simulation-natural-convection-decay-heat-removal-high-flux-isotope-reactor-using-relap5-tempest-part-models-simulation-results"><span>Thermal-hydraulic simulation of natural convection decay heat removal in the High Flux Isotope Reactor using RELAP5 and TEMPEST: Part 1, Models and simulation results</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Morris, D.G.; Wendel, M.W.; Chen, N.C.J.</p> <p></p> <p>A study was conducted to examine decay heat removal requirements in the High Flux Isotope Reactor (HFIR) following shutdown from 85 MW. The objective of the study was to determine when forced flow through the core could be terminated without causing the fuel to melt. This question is particularly relevant when a station blackout caused by an external event is considered. Analysis of natural circulation in the core, vessel upper plenum, and reactor pool indicates that 12 h of forced flow will permit a safe shutdown with some margin. However, uncertainties in the analysis preclude conclusive proof that 12 hmore » is sufficient. As a result of the study, two seismically qualified diesel generators were installed in HFIR. 9 refs., 4 figs.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2003EAEJA.....5373G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2003EAEJA.....5373G"><span>Numerical simulation of a mistral wind event occuring</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Guenard, V.; Caccia, J. L.; Tedeschi, G.</p> <p>2003-04-01</p> <p>The experimental network of the ESCOMPTE field experiment (june-july 2001) is turned into account to investigate the Mistral wind affecting the Marseille area (South of France). Mistral wind is a northerly flow blowing across the Rhône valley and toward the Mediterranean sea resulting from the dynamical low pressure generated in the wake of the Alps ridge. It brings cold, dry air masses and clear sky conditions over the south-eastern part of France. Up to now, few scientific studies have been carried out on the Mistral wind especially the evolution of its 3-D structure so that its mesoscale numerical simulation is still relevant. Non-hydrostatic RAMS model is performed to better investigate this mesoscale phenomena. Simulations at a 12 km horizontal resolution are compared to boundary layer wind profilers and ground measurements. Preliminary results suit quite well with the Mistral statistical studies carried out by the operational service of Météo-France and observed wind profiles are correctly reproduced by the numerical model RAMS which appears to be an efficient tool for its understanding of Mistral. Owing to the absence of diabatic effect in Mistral events which complicates numerical simulations, the present work is the first step for the validation of RAMS model in that area. Further works will consist on the study of the interaction of Mistral wind with land-sea breeze. Also, RAMS simulations will be combined with aerosol production and ocean circulation models to supply chemists and oceanographers with some answers for their studies.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25816182','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25816182"><span>Informing Hospital Change Processes through Visualization and Simulation: A Case Study at a Children's Emergency Clinic.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Persson, Johanna; Dalholm, Elisabeth Hornyánszky; Johansson, Gerd</p> <p>2014-01-01</p> <p>To demonstrate the use of visualization and simulation tools in order to involve stakeholders and inform the process in hospital change processes, illustrated by an empirical study from a children's emergency clinic. Reorganization and redevelopment of a hospital is a complex activity that involves many stakeholders and demands. Visualization and simulation tools have proven useful for involving practitioners and eliciting relevant knowledge. More knowledge is desired about how these tools can be implemented in practice for hospital planning processes. A participatory planning process including practitioners and researchers was executed over a 3-year period to evaluate a combination of visualization and simulation tools to involve stakeholders in the planning process and to elicit knowledge about needs and requirements. The initial clinic proposal from the architect was discarded as a result of the empirical study. Much general knowledge about the needs of the organization was extracted by means of the adopted tools. Some of the tools proved to be more accessible than others for the practitioners participating in the study. The combination of tools added value to the process by presenting information in alternative ways and eliciting questions from different angles. Visualization and simulation tools inform a planning process (or other types of change processes) by providing the means to see beyond present demands and current work structures. Long-term involvement in combination with accessible tools is central for creating a participatory setting where the practitioners' knowledge guides the process. © 2014 Vendome Group, LLC.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AGUFMSM31C..05B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AGUFMSM31C..05B"><span>Simulating Extraterrestrial Ices in the Laboratory</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Berisford, D. F.; Carey, E. M.; Hand, K. P.; Choukroun, M.</p> <p>2017-12-01</p> <p>Several ongoing experiments at JPL attempt to simulate the ice environment for various regimes associated with icy moons. The Europa Penitent Ice Experiment (EPIX) simulates the surface environment of an icy moon, to investigate the physics of ice surface morphology growth. This experiment features half-meter-scale cryogenic ice samples, cryogenic radiative sink environment, vacuum conditions, and diurnal cycling solar simulation. The experiment also includes several smaller fixed-geometry vacuum chambers for ice simulation at Earth-like and intermediate temperature and vacuum conditions for development of surface morphology growth scaling relations. Additionally, an ice cutting facility built on a similar platform provides qualitative data on the mechanical behavior of cryogenic ice with impurities under vacuum, and allows testing of ice cutting/sampling tools relevant for landing spacecraft. A larger cutting facility is under construction at JPL, which will provide more quantitative data and allow full-scale sampling tool tests. Another facility, the JPL Ice Physics Laboratory, features icy analog simulant preparation abilities that range icy solar system objects such as Mars, Ceres and the icy satellites of Saturn and Jupiter. In addition, the Ice Physics Lab has unique facilities for Icy Analog Tidal Simulation and Rheological Studies of Cryogenic Icy Slurries, as well as equipment to perform thermal and mechanical properties testing on icy analog materials and their response to sinusoidal tidal stresses.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26783498','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26783498"><span>Agent-Based Modeling in Systems Pharmacology.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cosgrove, J; Butler, J; Alden, K; Read, M; Kumar, V; Cucurull-Sanchez, L; Timmis, J; Coles, M</p> <p>2015-11-01</p> <p>Modeling and simulation (M&S) techniques provide a platform for knowledge integration and hypothesis testing to gain insights into biological systems that would not be possible a priori. Agent-based modeling (ABM) is an M&S technique that focuses on describing individual components rather than homogenous populations. This tutorial introduces ABM to systems pharmacologists, using relevant case studies to highlight how ABM-specific strengths have yielded success in the area of preclinical mechanistic modeling.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017APS..MARP37011W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017APS..MARP37011W"><span>Exploration of the Structure of the High Temperature Phase of the Hexagonal RMnO3 System</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wu, T.; Tyson, T. A.; Zhang, H.; Yu, T.; Page, K.; Ghose, S.</p> <p></p> <p>Temperature dependent structural studies of the high temperature phase of hexagonal RMnO3 systems have been conducted. Both long range and local structural probes have been utilized. Discussions of the appropriate space groups and local distortions relevant to length scale will be given. Ab initio MD simulations are used to interpret the observations. This work is supported by DOE Grant DE-FG02-07ER46402.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3385674','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3385674"><span>Coherent nonlinear optical studies of elementary processes in biological complexes: diagrammatic techniques based on the wave function versus the density matrix</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Biggs, Jason D.; Voll, Judith A.; Mukamel, Shaul</p> <p>2012-01-01</p> <p>Two types of diagrammatic approaches for the design and simulation of nonlinear optical experiments (closed-time path loops based on the wave function and double-sided Feynman diagrams for the density matrix) are presented and compared. We give guidelines for the assignment of relevant pathways and provide rules for the interpretation of existing nonlinear experiments in carotenoids. PMID:22753822</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA609692','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA609692"><span>Modeling of Fuel Film Cooling on Chamber Hot Wall</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2013-12-01</p> <p>flow at supercritical pressure. The fuel jet and the cross-flow interact. Some part of the jet is stripped off and entrained by the hot gas...modelers. The supercritical pressure makes information on equation of state and transport properties hard to come by. The large temperature range...the modeling of hydrocarbon fuel film cooling at supercritical pressures. A relevant recent simulation study by Yang and Sun [1] used a finite-rate</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19499661','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19499661"><span>Objective evaluation of minimally invasive surgical skills for transplantation. Surgeons using a virtual reality simulator.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Dănilă, R; Gerdes, B; Ulrike, H; Domínguez Fernández, E; Hassan, I</p> <p>2009-01-01</p> <p>The learning curve in laparoscopic surgery may be associated with higher patient risk, which is unacceptable in the setting of kidney donation. Virtual reality simulators may increase the safety and efficiency of training in laparoscopic surgery. The aim of this study was to investigate if the results of a training session reflect the actual skill level of transplantation surgeons and whether the simulator could differentiate laparoscopic experienced transplantation surgeon from advanced trainees. 16 subjects were assigned to one of two groups: 5 experienced transplantation surgeon and 11 advanced residents, with only assistant role during transplantation. The level of performance was measured by a relative scoring system that combines single parameters assessed by the computer. The higher the level of transplantation experience of a participant, the higher the laparoscopic performance. Experienced transplantation surgeons showed statistically significant better scores than the advanced group for time and precision parameters. Our results show that performance of the various tasks on the simulator corresponds to the respective level of experience in transplantation surgery in our research groups. This study confirms construct validity for the LapSim. It thus measures relevant skills and can be integrated in an endoscopic training and assessment curriculum for transplantations surgeons.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29450017','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29450017"><span>Distributed Simulation as a modelling tool for the development of a simulation-based training programme for cardiovascular specialties.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kelay, Tanika; Chan, Kah Leong; Ako, Emmanuel; Yasin, Mohammad; Costopoulos, Charis; Gold, Matthew; Kneebone, Roger K; Malik, Iqbal S; Bello, Fernando</p> <p>2017-01-01</p> <p>Distributed Simulation is the concept of portable, high-fidelity immersive simulation. Here, it is used for the development of a simulation-based training programme for cardiovascular specialities. We present an evidence base for how accessible, portable and self-contained simulated environments can be effectively utilised for the modelling, development and testing of a complex training framework and assessment methodology. Iterative user feedback through mixed-methods evaluation techniques resulted in the implementation of the training programme. Four phases were involved in the development of our immersive simulation-based training programme: ( 1) initial conceptual stage for mapping structural criteria and parameters of the simulation training framework and scenario development ( n  = 16), (2) training facility design using Distributed Simulation , (3) test cases with clinicians ( n  = 8) and collaborative design, where evaluation and user feedback involved a mixed-methods approach featuring (a) quantitative surveys to evaluate the realism and perceived educational relevance of the simulation format and framework for training and (b) qualitative semi-structured interviews to capture detailed feedback including changes and scope for development. Refinements were made iteratively to the simulation framework based on user feedback, resulting in (4) transition towards implementation of the simulation training framework, involving consistent quantitative evaluation techniques for clinicians ( n  = 62). For comparative purposes, clinicians' initial quantitative mean evaluation scores for realism of the simulation training framework, realism of the training facility and relevance for training ( n  = 8) are presented longitudinally, alongside feedback throughout the development stages from concept to delivery, including the implementation stage ( n  = 62). Initially, mean evaluation scores fluctuated from low to average, rising incrementally. This corresponded with the qualitative component, which augmented the quantitative findings; trainees' user feedback was used to perform iterative refinements to the simulation design and components (collaborative design), resulting in higher mean evaluation scores leading up to the implementation phase. Through application of innovative Distributed Simulation techniques, collaborative design, and consistent evaluation techniques from conceptual, development, and implementation stages, fully immersive simulation techniques for cardiovascular specialities are achievable and have the potential to be implemented more broadly.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24219816','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24219816"><span>Methodology for the in vitro evaluation of the delivery efficiency from valved holding chambers with facemasks.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Xu, Zhen; Hsu, Wenchi; von Hollen, Dirk; Viswanath, Ashwin; Nikander, Kurt; Dalby, Richard</p> <p>2014-08-01</p> <p>In vitro performance studies of valved holding chamber (VHC)-facemask systems are a cost-effective means of circumventing potentially confounding clinical variables. This article reports results of an in vitro investigation into VHC-facemask performance, using three age-specific soft anatomical model (SAM) faces, under clinically relevant conditions. A potentially standardized method was developed to assess VHC-facemask seal leakage, and evaluate the in vitro delivery efficiency of conventional and antistatic VHC-facemask systems. A custom-built test rig and VHC cradles were used to position the VHC-facemask systems against the SAM faces, with a constant, reproducible force. A standardized simulated pediatric breathing pattern (tidal volume = 155 mL; inhalation:exhalation ratio = 40:60; 25 breaths/min) was utilized. Percent facemask seal leakage, percent delivered dose, and the effect of different numbers of simulated breaths (2 to 8) were investigated. Of the VHC-facemask systems tested, the OptiChamber Diamond VHC with LiteTouch facemask (Diamond) system had the lowest percent seal leakage with each SAM face. Percent seal leakage from the other VHC-facemask systems was similar with SAM0 and SAM2 faces; the AeroChamber Plus Z-Stat VHC with ComfortSeal facemask (AC Z-Stat) system had a substantially greater percent seal leakage with the SAM1 face. Regardless of the number of simulated breaths, the Diamond system delivered the greatest mean percent delivered dose, with the lowest coefficient of variation, with each SAM face. Percent delivered dose did not correlate well with seal leakage, particularly for VHC-facemask systems with high seal leakage. The electrostatic properties of the VHCs appeared to influence drug delivery. This study describes a potentially standardized method for the evaluation of VHC-facemask systems. Use of this method enabled a comprehensive investigation into the influence of clinically relevant variables, including age-specific facial anatomy, number of simulated breaths, and seal leakage, on the delivery efficiency of several commercially available VHC-facemask systems.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1391904-scalable-methodology-large-scale-building-energy-improvement-relevance-calibration-model-based-retrofit-analysis','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1391904-scalable-methodology-large-scale-building-energy-improvement-relevance-calibration-model-based-retrofit-analysis"><span>Scalable methodology for large scale building energy improvement: Relevance of calibration in model-based retrofit analysis</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Heo, Yeonsook; Augenbroe, Godfried; Graziano, Diane</p> <p>2015-05-01</p> <p>The increasing interest in retrofitting of existing buildings is motivated by the need to make a major contribution to enhancing building energy efficiency and reducing energy consumption and CO2 emission by the built environment. This paper examines the relevance of calibration in model-based analysis to support decision-making for energy and carbon efficiency retrofits of individual buildings and portfolios of buildings. The authors formulate a set of real retrofit decision-making situations and evaluate the role of calibration by using a case study that compares predictions and decisions from an uncalibrated model with those of a calibrated model. The case study illustratesmore » both the mechanics and outcomes of a practical alternative to the expert- and time-intense application of dynamic energy simulation models for large-scale retrofit decision-making under uncertainty.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1177296-impacts-climate-change-energy-consumption-peak-demand-buildings-detailed-regional-approach','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1177296-impacts-climate-change-energy-consumption-peak-demand-buildings-detailed-regional-approach"><span>Impacts of Climate Change on Energy Consumption and Peak Demand in Buildings: A Detailed Regional Approach</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Dirks, James A.; Gorrissen, Willy J.; Hathaway, John E.</p> <p>2015-01-01</p> <p>This paper presents the results of numerous commercial and residential building simulations, with the purpose of examining the impact of climate change on peak and annual building energy consumption over the portion of the Eastern Interconnection (EIC) located in the United States. The climate change scenario considered (IPCC A2 scenario as downscaled from the CASCaDE data set) has changes in mean climate characteristics as well as changes in the frequency and duration of intense weather events. This investigation examines building energy demand for three annual periods representative of climate trends in the CASCaDE data set at the beginning, middle, andmore » end of the century--2004, 2052, and 2089. Simulations were performed using the Building ENergy Demand (BEND) model which is a detailed simulation platform built around EnergyPlus. BEND was developed in collaboration with the Platform for Regional Integrated Modeling and Analysis (PRIMA), a modeling framework designed to simulate the complex interactions among climate, energy, water, and land at decision-relevant spatial scales. Over 26,000 building configurations of different types, sizes, vintages, and, characteristics which represent the population of buildings within the EIC, are modeled across the 3 EIC time zones using the future climate from 100 locations within the target region, resulting in nearly 180,000 spatially relevant simulated demand profiles for each of the 3 years. In this study, the building stock characteristics are held constant based on the 2005 building stock in order to isolate and present results that highlight the impact of the climate signal on commercial and residential energy demand. Results of this analysis compare well with other analyses at their finest level of specificity. This approach, however, provides a heretofore unprecedented level of specificity across multiple spectrums including spatial, temporal, and building characteristics. This capability enables the ability to perform detailed hourly impact studies of building adaptation and mitigation strategies on energy use and electricity peak demand within the context of the entire grid and economy.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19970027379','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19970027379"><span>Understanding Skill in EVA Mass Handling. Volume 2; Empirical Investigation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Riccio, Gary; McDonald, Vernon; Peters, Brian; Layne, Charles; Bloomberg, Jacob</p> <p>1997-01-01</p> <p>In this report we describe the details of our empirical protocol effort investigating skill in extravehicular mass handling using NASA's principal mass handling simulator, the precision air bearing floor. Contents of this report include a description of the necessary modifications to the mass handling simulator; choice of task, and the description of an operationally relevant protocol. Our independent variables are presented in the context of the specific operational issues they were designed to simulate. The explanation of our dependent variables focuses on the specific data processing procedures used to transform data from common laboratory instruments into measures that are relevant to a special class of nested control systems (discussed in Volume 1): manual interactions between an individual and the substantial environment. The data reduction is explained in the context of the theoretical foundation described in Volume 1. Finally as a preface to the presentation of the empirical data in Volume 3 of this report series, a set of detailed hypotheses is presented.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22622217-virtual-environment-reactor-applications-vera-design-architecture','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22622217-virtual-environment-reactor-applications-vera-design-architecture"><span>The Virtual Environment for Reactor Applications (VERA): Design and architecture</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Turner, John A., E-mail: turnerja@ornl.gov; Clarno, Kevin; Sieger, Matt</p> <p></p> <p>VERA, the Virtual Environment for Reactor Applications, is the system of physics capabilities being developed and deployed by the Consortium for Advanced Simulation of Light Water Reactors (CASL). CASL was established for the modeling and simulation of commercial nuclear reactors. VERA consists of integrating and interfacing software together with a suite of physics components adapted and/or refactored to simulate relevant physical phenomena in a coupled manner. VERA also includes the software development environment and computational infrastructure needed for these components to be effectively used. We describe the architecture of VERA from both software and numerical perspectives, along with the goalsmore » and constraints that drove major design decisions, and their implications. We explain why VERA is an environment rather than a framework or toolkit, why these distinctions are relevant (particularly for coupled physics applications), and provide an overview of results that demonstrate the use of VERA tools for a variety of challenging applications within the nuclear industry.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017APS..MAR.K2003W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017APS..MAR.K2003W"><span>Classical and quantum simulations of warm dense carbon</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Whitley, Heather; Sanchez, David; Hamel, Sebastien; Correa, Alfredo; Benedict, Lorin</p> <p></p> <p>We have applied classical and DFT-based molecular dynamics (MD) simulations to study the equation of state of carbon in the warm dense matter regime (ρ = 3.7 g/cc, 0.86 eV <T <100 eV). We utilize two different classical inter-atomic potentials: 1. LCBOP, designed to simulate solid phases of C, and 2. linearly screened Coulomb (Yukawa) potentials. We observe that LCBOP over-predicts the pair correlations in liquid-C in this regime when compared to the DFT-MD results. Conversely, the Yukawa model seems to produce the correct qualitative features in the static ionic pair distributions at the highest-T, but does not capture the correct correlations at lower T. However, both interaction potentials predict that the decay in the ionic contribution of the specific heat as T approaches infinity is much slower than that predicted by a model based on DFT-MD. These differences in the MD-derived equations of state in warm dense regimes could have important consequences when using classical inter-ionic forces such as these in large-scale MD simulations aimed at studying processes of relevance to inertial confinement fusion. This study points to a need for better interatomic potentials to describe warm dense matter. Prepared by LLNL under Contract DE-AC52-07NA27344.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li class="active"><span>22</span></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_22 --> <div id="page_23" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li class="active"><span>23</span></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="441"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=1692591','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=1692591"><span>Simulations of neuromuscular control in lamprey swimming.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Ekeberg, O; Grillner, S</p> <p>1999-01-01</p> <p>The neuronal generation of vertebrate locomotion has been extensively studied in the lamprey. Models at different levels of abstraction are being used to describe this system, from abstract nonlinear oscillators to interconnected model neurons comprising multiple compartments and a Hodgkin-Huxley representation of the most relevant ion channels. To study the role of sensory feedback by simulation, it eventually also becomes necessary to incorporate the mechanical movements in the models. By using simplifying models of muscle activation, body mechanics, counteracting water forces, and sensory feedback through stretch receptors and vestibular organs, we have been able to close the feedback loop to enable studies of the interaction between the neuronal and the mechanical systems. The neuromechanical simulations reveal that the currently known network is sufficient for generating a whole repertoire of swimming patterns. Swimming at different speeds and with different wavelengths, together with the performance of lateral turns can all be achieved by simply varying the brainstem input. The neuronal mechanisms behind pitch and roll manoeuvres are less clear. We have put forward a 'crossed-oscillators' hypothesis where partly separate dorsal and ventral circuits are postulated. Neuromechanical simulations of this system show that it is also capable of generating realistic pitch turns and rolls, and that vestibular signals can stabilize the posture during swimming. PMID:10382223</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2002PhRvE..65c1910H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2002PhRvE..65c1910H"><span>Convergence of sampling in protein simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hess, Berk</p> <p>2002-03-01</p> <p>With molecular dynamics protein dynamics can be simulated in atomic detail. Current computers are not fast enough to probe all available conformations, but fluctuations around one conformation can be sampled to a reasonable extent. The motions with the largest fluctuations can be filtered out of a simulation using covariance or principal component analysis. A problem with this analysis is that random diffusion can appear as correlated motion. An analysis is presented of how long a simulation should be to obtain relevant results for global motions. The analysis reveals that the cosine content of the principal components is a good indicator for bad sampling.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JPhB...51h2001H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JPhB...51h2001H"><span>Quantum simulation of strongly correlated condensed matter systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hofstetter, W.; Qin, T.</p> <p>2018-04-01</p> <p>We review recent experimental and theoretical progress in realizing and simulating many-body phases of ultracold atoms in optical lattices, which gives access to analog quantum simulations of fundamental model Hamiltonians for strongly correlated condensed matter systems, such as the Hubbard model. After a general introduction to quantum gases in optical lattices, their preparation and cooling, and measurement techniques for relevant observables, we focus on several examples, where quantum simulations of this type have been performed successfully during the past years: Mott-insulator states, itinerant quantum magnetism, disorder-induced localization and its interplay with interactions, and topological quantum states in synthetic gauge fields.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JPS...326..680P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JPS...326..680P"><span>Multi-scale modelling of supercapacitors: From molecular simulations to a transmission line model</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pean, C.; Rotenberg, B.; Simon, P.; Salanne, M.</p> <p>2016-09-01</p> <p>We perform molecular dynamics simulations of a typical nanoporous-carbon based supercapacitor. The organic electrolyte consists in 1-ethyl-3-methylimidazolium and hexafluorophosphate ions dissolved in acetonitrile. We simulate systems at equilibrium, for various applied voltages. This allows us to determine the relevant thermodynamic (capacitance) and transport (in-pore resistivities) properties. These quantities are then injected in a transmission line model for testing its ability to predict the charging properties of the device. The results from this macroscopic model are in good agreement with non-equilibrium molecular dynamics simulations, which validates its use for interpreting electrochemical impedance experiments.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27471835','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27471835"><span>Molecular simulation of the thermophysical properties and phase behaviour of impure CO2 relevant to CCS.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cresswell, Alexander J; Wheatley, Richard J; Wilkinson, Richard D; Graham, Richard S</p> <p>2016-10-20</p> <p>Impurities from the CCS chain can greatly influence the physical properties of CO 2 . This has important design, safety and cost implications for the compression, transport and storage of CO 2 . There is an urgent need to understand and predict the properties of impure CO 2 to assist with CCS implementation. However, CCS presents demanding modelling requirements. A suitable model must both accurately and robustly predict CO 2 phase behaviour over a wide range of temperatures and pressures, and maintain that predictive power for CO 2 mixtures with numerous, mutually interacting chemical species. A promising technique to address this task is molecular simulation. It offers a molecular approach, with foundations in firmly established physical principles, along with the potential to predict the wide range of physical properties required for CCS. The quality of predictions from molecular simulation depends on accurate force-fields to describe the interactions between CO 2 and other molecules. Unfortunately, there is currently no universally applicable method to obtain force-fields suitable for molecular simulation. In this paper we present two methods of obtaining force-fields: the first being semi-empirical and the second using ab initio quantum-chemical calculations. In the first approach we optimise the impurity force-field against measurements of the phase and pressure-volume behaviour of CO 2 binary mixtures with N 2 , O 2 , Ar and H 2 . A gradient-free optimiser allows us to use the simulation itself as the underlying model. This leads to accurate and robust predictions under conditions relevant to CCS. In the second approach we use quantum-chemical calculations to produce ab initio evaluations of the interactions between CO 2 and relevant impurities, taking N 2 as an exemplar. We use a modest number of these calculations to train a machine-learning algorithm, known as a Gaussian process, to describe these data. The resulting model is then able to accurately predict a much broader set of ab initio force-field calculations at comparatively low numerical cost. Although our method is not yet ready to be implemented in a molecular simulation, we outline the necessary steps here. Such simulations have the potential to deliver first-principles simulation of the thermodynamic properties of impure CO 2 , without fitting to experimental data.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008JPSJ...77g4601Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008JPSJ...77g4601Z"><span>Glass Forming Ability in the Equilibrium Immiscible Ag-Ta System Studied by Molecular Dynamics Simulation and Ion Beam Mixing</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhao, Man; Dai, Xiaodong; Shen, Yixiong; Liu, Baixin</p> <p>2008-07-01</p> <p>For the equilibrium immiscible Ag-Ta system characterized by a positive heat of formation of +23 kJ/mol, a proved realistic extended Finnis-Sinclair potential is applied to study the crystal-to-amorphous transition through molecular dynamics simulations and a glass-forming range (GFR) of the Ag-Ta system is determined to be from 10 to 80 at. % of Ta, within which a disordered state is energetically favored than its crystalline counterpart of solid solution. In experiment, the uniform amorphous phases are indeed obtained, by ion beam mixing of far-from-equilibrium, in the Ag38Ta62, Ag30Ta70 and Ag20Ta80 Ag-Ta multilayered films, which fall within the GFR and thus confirm the relevance of the calculated GFR of the system.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017NucFu..57i2013S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017NucFu..57i2013S"><span>Towards a programme of testing and qualification for structural and plasma-facing materials in ‘fusion neutron’ environments</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Stork, D.; Heidinger, R.; Muroga, T.; Zinkle, S. J.; Moeslang, A.; Porton, M.; Boutard, J.-L.; Gonzalez, S.; Ibarra, A.</p> <p>2017-09-01</p> <p>Materials damage by 14.1MeV neutrons from deuterium-tritium (D-T) fusion reactions can only be characterised definitively by subjecting a relevant configuration of test materials to high-intensity ‘fusion-neutron spectrum sources’, i.e. those simulating closely D-T fusion-neutron spectra. This provides major challenges to programmes to design and construct a demonstration fusion reactor prior to having a large-scale, high-intensity source of such neutrons. In this paper, we discuss the different aspects related to these ‘relevant configuration’ tests, including: • generic issues in materials qualification/validation, comparing safety requirements against those of investment protection; • lessons learned from the fission programme, enabling a reduced fusion materials testing programme; • the use and limitations of presently available possible irradiation sources to optimise a fusion neutron testing program including fission-neutron irradiation of isotopically and chemically tailored steels, ion damage by high-energy helium ions and self-ion beams, or irradiation studies with neutron sources of non-fusion spectra; and • the different potential sources of simulated fusion neutron spectra and the choice using stripping reactions from deuterium-beam ions incident on light-element targets.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1165605','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1165605"><span>POLICY ISSUES ASSOCIATED WITH USING SIMULATION TO ASSESS ENVIRONMENTAL IMPACTS</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Uchitel, Kirsten; Tanana, Heather</p> <p></p> <p>This report examines the relationship between simulation-based science and judicial assessments of simulations or models supporting evaluations of environmental harms or risks, considering both how it exists currently and how it might be shaped in the future. This report considers the legal standards relevant to judicial assessments of simulation-based science and provides examples of the judicial application of those legal standards. Next, this report discusses the factors that inform whether there is a correlation between the sophistication of a challenged simulation and judicial support for that simulation. Finally, this report examines legal analysis of the broader issues that must bemore » addressed for simulation-based science to be better understood and utilized in the context of judicial challenge and evaluation. !« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1376419-unbiased-simulation-near-clifford-quantum-circuits','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1376419-unbiased-simulation-near-clifford-quantum-circuits"><span>Unbiased simulation of near-Clifford quantum circuits</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Bennink, Ryan S.; Ferragut, Erik M.; Humble, Travis S.; ...</p> <p>2017-06-28</p> <p>Modeling and simulation are essential for predicting and verifying the behavior of fabricated quantum circuits, but existing simulation methods are either impractically costly or require an unrealistic simplification of error processes. In this paper, we present a method of simulating noisy Clifford circuits that is both accurate and practical in experimentally relevant regimes. In particular, the cost is weakly exponential in the size and the degree of non-Cliffordness of the circuit. Our approach is based on the construction of exact representations of quantum channels as quasiprobability distributions over stabilizer operations, which are then sampled, simulated, and weighted to yield unbiasedmore » statistical estimates of circuit outputs and other observables. As a demonstration of these techniques, we simulate a Steane [[7,1,3</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27497168','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27497168"><span>How to Run FAST Simulations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zimmerman, M I; Bowman, G R</p> <p>2016-01-01</p> <p>Molecular dynamics (MD) simulations are a powerful tool for understanding enzymes' structures and functions with full atomistic detail. These physics-based simulations model the dynamics of a protein in solution and store snapshots of its atomic coordinates at discrete time intervals. Analysis of the snapshots from these trajectories provides thermodynamic and kinetic properties such as conformational free energies, binding free energies, and transition times. Unfortunately, simulating biologically relevant timescales with brute force MD simulations requires enormous computing resources. In this chapter we detail a goal-oriented sampling algorithm, called fluctuation amplification of specific traits, that quickly generates pertinent thermodynamic and kinetic information by using an iterative series of short MD simulations to explore the vast depths of conformational space. © 2016 Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://eric.ed.gov/?q=business+AND+management&pg=5&id=EJ880167','ERIC'); return false;" href="https://eric.ed.gov/?q=business+AND+management&pg=5&id=EJ880167"><span>Business Simulation Exercises in Small Business Management Education: Using Principles and Ideas from Action Learning</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.eric.ed.gov/ERICWebPortal/search/extended.jsp?_pageLabel=advanced">ERIC Educational Resources Information Center</a></p> <p>Gabrielsson, Jonas; Tell, Joakim; Politis, Diamanto</p> <p>2010-01-01</p> <p>Recent calls to close the rigour-relevance gap in business school education have suggested incorporating principles and ideas from action learning in small business management education. In this paper we discuss how business simulation exercises can be used as a platform to trigger students' learning by providing them with a platform where they…</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA101877','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA101877"><span>The Contribution of Human Factors in Military System Development: Methodological Considerations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>1980-07-01</p> <p>Risk/Uncertainty Analysis - Project Scoring - Utility Scales - Relevance Tree Techniques (Reverse Factor Analysis) 2. Computer Simulation Simulation...effectiveness of mathematical models for R&D project selection. Management Science, April 1973, 18. 6-43 .1~ *.-. Souder, W.E. h scoring methodology for...per some interval PROFICIENCY test scores (written) RADIATION radiation effects aircrew performance on radiation environments REACTION TIME 1) (time</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1389985','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1389985"><span>LLNL Mercury Project Trinity Open Science Final Report</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Dawson, Shawn A.</p> <p></p> <p>The Mercury Monte Carlo particle transport code is used to simulate the transport of radiation through urban environments. These challenging calculations include complicated geometries and require significant computational resources to complete. In the proposed Trinity Open Science calculations, I will investigate computer science aspects of the code which are relevant to convergence of the simulation quantities with increasing Monte Carlo particle counts.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008AdWR...31..132G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008AdWR...31..132G"><span>Statistical downscaling of GCM simulations to streamflow using relevance vector machine</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ghosh, Subimal; Mujumdar, P. P.</p> <p>2008-01-01</p> <p>General circulation models (GCMs), the climate models often used in assessing the impact of climate change, operate on a coarse scale and thus the simulation results obtained from GCMs are not particularly useful in a comparatively smaller river basin scale hydrology. The article presents a methodology of statistical downscaling based on sparse Bayesian learning and Relevance Vector Machine (RVM) to model streamflow at river basin scale for monsoon period (June, July, August, September) using GCM simulated climatic variables. NCEP/NCAR reanalysis data have been used for training the model to establish a statistical relationship between streamflow and climatic variables. The relationship thus obtained is used to project the future streamflow from GCM simulations. The statistical methodology involves principal component analysis, fuzzy clustering and RVM. Different kernel functions are used for comparison purpose. The model is applied to Mahanadi river basin in India. The results obtained using RVM are compared with those of state-of-the-art Support Vector Machine (SVM) to present the advantages of RVMs over SVMs. A decreasing trend is observed for monsoon streamflow of Mahanadi due to high surface warming in future, with the CCSR/NIES GCM and B2 scenario.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013APS..MARZ44003M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013APS..MARZ44003M"><span>Cellular Particle Dynamics simulation of biomechanical relaxation processes of multi-cellular systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>McCune, Matthew; Kosztin, Ioan</p> <p>2013-03-01</p> <p>Cellular Particle Dynamics (CPD) is a theoretical-computational-experimental framework for describing and predicting the time evolution of biomechanical relaxation processes of multi-cellular systems, such as fusion, sorting and compression. In CPD, cells are modeled as an ensemble of cellular particles (CPs) that interact via short range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through numerical integration of their equations of motion. Here we present CPD simulation results for the fusion of both spherical and cylindrical multi-cellular aggregates. First, we calibrate the relevant CPD model parameters for a given cell type by comparing the CPD simulation results for the fusion of two spherical aggregates to the corresponding experimental results. Next, CPD simulations are used to predict the time evolution of the fusion of cylindrical aggregates. The latter is relevant for the formation of tubular multi-cellular structures (i.e., primitive blood vessels) created by the novel bioprinting technology. Work supported by NSF [PHY-0957914]. Computer time provided by the University of Missouri Bioinformatics Consortium.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19940009311','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19940009311"><span>Event-driven simulation in SELMON: An overview of EDSE</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Rouquette, Nicolas F.; Chien, Steve A.; Charest, Leonard, Jr.</p> <p>1992-01-01</p> <p>EDSE (event-driven simulation engine), a model-based event-driven simulator implemented for SELMON, a tool for sensor selection and anomaly detection in real-time monitoring is described. The simulator is used in conjunction with a causal model to predict future behavior of the model from observed data. The behavior of the causal model is interpreted as equivalent to the behavior of the physical system being modeled. An overview of the functionality of the simulator and the model-based event-driven simulation paradigm on which it is based is provided. Included are high-level descriptions of the following key properties: event consumption and event creation, iterative simulation, synchronization and filtering of monitoring data from the physical system. Finally, how EDSE stands with respect to the relevant open issues of discrete-event and model-based simulation is discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29459192','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29459192"><span>Investigating the impact of moulage on simulation engagement - A systematic review.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Stokes-Parish, Jessica B; Duvivier, Robbert; Jolly, Brian</p> <p>2018-05-01</p> <p>Simulation Based Education (SBE) is used as a primer for clinical education in nursing and other health professions. Participant engagement strategies and good debriefing have been identified as key for effective simulations. The environment in which the simulation is situated also plays a large role in the degree of participant engagement. Various cues are staged within simulations to enhance this engagement process. Moulage techniques are used in current-day simulation to mimic illnesses and wounds, acting as visual and tactile cues for the learner. To effectively utilise moulage in simulation, significant expense is required to train simulation staff and to purchase relevant equipment. Explore the use of moulage in simulation practice today and its influence on participant engagement. Using a systematic process to extract papers, we reviewed the literature with a critical-realist lens. CINAHL Complete, ERIC, Embase, Medline, PsycINFO, SCOPUS, Web of Science, Proquest, Science Direct and SAGE. 10 databases were systematically reviewed using the keyword "moulage" to answer the question "How does the authenticity of moulage impact on participant engagement?". 1318 records were identified prior to exclusion criterion were applied. 10 articles were targeted for review, following exclusion for English language and publication between 2005 and 2015. The resulting 10 papers were assessed for quality using the Medical Education Research Study Quality Instrument (MERSQI). The majority of papers were situated in dermatology teaching, with only one nursing paper. Study participants were both undergraduate and postgraduate. Most of the studies were undertaken at a university setting. No papers comprehensively addressed whether the authenticity of moulage influences learner engagement. Results were limited, yet clearly outline a widely held assumption that moulage is essential in simulation-based education for improved realism and subsequent learner engagement. Despite this, there is no clear evidence from the literature that this is the case, suggesting that further research to explore the impact of moulage on participant engagement is warranted. A number of recommendations are made for future research. Copyright © 2018 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010AGUFMGC43C0987V','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010AGUFMGC43C0987V"><span>Ontological and Epistemological Issues Regarding Climate Models and Computer Experiments</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Vezer, M. A.</p> <p>2010-12-01</p> <p>Recent philosophical discussions (Parker 2009; Frigg and Reiss 2009; Winsberg, 2009; Morgon 2002, 2003, 2005; Gula 2002) about the ontology of computer simulation experiments and the epistemology of inferences drawn from them are of particular relevance to climate science as computer modeling and analysis are instrumental in understanding climatic systems. How do computer simulation experiments compare with traditional experiments? Is there an ontological difference between these two methods of inquiry? Are there epistemological considerations that result in one type of inference being more reliable than the other? What are the implications of these questions with respect to climate studies that rely on computer simulation analysis? In this paper, I examine these philosophical questions within the context of climate science, instantiating concerns in the philosophical literature with examples found in analysis of global climate change. I concentrate on Wendy Parker’s (2009) account of computer simulation studies, which offers a treatment of these and other questions relevant to investigations of climate change involving such modelling. Two theses at the center of Parker’s account will be the focus of this paper. The first is that computer simulation experiments ought to be regarded as straightforward material experiments; which is to say, there is no significant ontological difference between computer and traditional experimentation. Parker’s second thesis is that some of the emphasis on the epistemological importance of materiality has been misplaced. I examine both of these claims. First, I inquire as to whether viewing computer and traditional experiments as ontologically similar in the way she does implies that there is no proper distinction between abstract experiments (such as ‘thought experiments’ as well as computer experiments) and traditional ‘concrete’ ones. Second, I examine the notion of materiality (i.e., the material commonality between object and target systems) and some arguments for the claim that materiality entails some inferential advantage to traditional experimentation. I maintain that Parker’s account of the ontology of computer simulations has some interesting though potentially problematic implications regarding conventional distinctions between abstract and concrete methods of inquiry. With respect to her account of materiality, I outline and defend an alternative account, posited by Mary Morgan (2002, 2003, 2005), which holds that ontological similarity between target and object systems confers some epistemological advantage to traditional forms of experimental inquiry.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApNan.tmp..206A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApNan.tmp..206A"><span>Size-dependent disproportionation (in 2-20 nm regime) and hybrid Bond Valence derived interatomic potentials for BaTaO2N</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Anbalagan, Kousika; Thomas, Tiju</p> <p>2018-05-01</p> <p>Interatomic potentials for complex materials (like ceramic systems) are important for realistic molecular dynamics (MD) simulations. Such simulations are relevant for understanding equilibrium, transport and dynamical properties of materials, especially in the nanoregime. Here we derive a hybrid interatomic potential (based on bond valence (BV) derived Morse and Coulomb terms), for modeling a complex ceramic, barium tantalum oxynitride (BaTaO2N). This material has been chosen due to its relevance for capacitive and photoactive applications. However, the material presents processing challenges such as the emergence of non-stoichiometric phases during processing, demonstrating complex processing-property correlations. This makes MD investigations of this material both scientifically and technologically relevant. The BV based hybrid potential presented here has been used for simulating sintering of BaTaO2N nanoparticles ( 2-20 nm) under different conditions (using the relevant canonical ensemble). Notably, we show that sintering of particles of diameter < 10 nm requires no external sintering aids such as the addition of barium sources (since stoichiometry is preserved during heat treatment in this size regime). Also, we observe that sintering of particles > 10 nm in size results in the formation of a cluster of tantalum and oxygen atoms at the interface of the BaTaO2N particles. This is in agreement with the experimental reports. The results presented here suggest that the potential proposed can be used to explore dynamical properties of BaTaO2N and related systems. This work will also open avenues for development of nanoscience-enabled aid-free sintering approaches to this and related materials.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014AGUFMGC32A..06C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014AGUFMGC32A..06C"><span>A Harder Rain is Going to Fall: Challenges for Actionable Projections of Extremes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Collins, W.</p> <p>2014-12-01</p> <p>Hydrometeorological extremes are projected to increase in both severity and frequency as the Earth's surface continues to warm in response to anthropogenic emissions of greenhouse gases. These extremes will directly affect the availability and reliability of water and other critical resources. The most comprehensive suite of multi-model projections has been assembled under the Coupled Model Intercomparison Project version 5 (CMIP5) and assessed in the Fifth Assessment (AR5) of the Intergovernmental Panel on Climate Change (IPCC). In order for these projections to be actionable, the projections should exhibit consistency and fidelity down to the local length and timescales required for operational resource planning, for example the scales relevant for water allocations from a major watershed. In this presentation, we summarize the length and timescales relevant for resource planning and then use downscaled versions of the IPCC simulations over the contiguous United States to address three questions. First, over what range of scales is there quantitative agreement between the simulated historical extremes and in situ measurements? Second, does this range of scales in the historical and future simulations overlap with the scales relevant for resource management and adaptation? Third, does downscaling enhance the degree of multi-model consistency at scales smaller than the typical global model resolution? We conclude by using these results to highlight requirements for further model development to make the next generation of models more useful for planning purposes.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li class="active"><span>23</span></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_23 --> <div id="page_24" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li class="active"><span>24</span></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="461"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017APS..MAR.B7001C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017APS..MAR.B7001C"><span>Adaptive sampling strategies with high-throughput molecular dynamics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Clementi, Cecilia</p> <p></p> <p>Despite recent significant hardware and software developments, the complete thermodynamic and kinetic characterization of large macromolecular complexes by molecular simulations still presents significant challenges. The high dimensionality of these systems and the complexity of the associated potential energy surfaces (creating multiple metastable regions connected by high free energy barriers) does not usually allow to adequately sample the relevant regions of their configurational space by means of a single, long Molecular Dynamics (MD) trajectory. Several different approaches have been proposed to tackle this sampling problem. We focus on the development of ensemble simulation strategies, where data from a large number of weakly coupled simulations are integrated to explore the configurational landscape of a complex system more efficiently. Ensemble methods are of increasing interest as the hardware roadmap is now mostly based on increasing core counts, rather than clock speeds. The main challenge in the development of an ensemble approach for efficient sampling is in the design of strategies to adaptively distribute the trajectories over the relevant regions of the systems' configurational space, without using any a priori information on the system global properties. We will discuss the definition of smart adaptive sampling approaches that can redirect computational resources towards unexplored yet relevant regions. Our approaches are based on new developments in dimensionality reduction for high dimensional dynamical systems, and optimal redistribution of resources. NSF CHE-1152344, NSF CHE-1265929, Welch Foundation C-1570.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22299831-analysis-stimulated-raman-backscatter-stimulated-brillouin-backscatter-experiments-performed-sg-iii-prototype-facility-spectral-analysis-code','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22299831-analysis-stimulated-raman-backscatter-stimulated-brillouin-backscatter-experiments-performed-sg-iii-prototype-facility-spectral-analysis-code"><span>Analysis of stimulated Raman backscatter and stimulated Brillouin backscatter in experiments performed on SG-III prototype facility with a spectral analysis code</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Hao, Liang; Zhao, Yiqing; Hu, Xiaoyan</p> <p>2014-07-15</p> <p>Experiments about the observations of stimulated Raman backscatter (SRS) and stimulated Brillouin backscatter (SBS) in Hohlraum were performed on Shenguang-III (SG-III) prototype facility for the first time in 2011. In this paper, relevant experimental results are analyzed for the first time with a one-dimension spectral analysis code, which is developed to study the coexistent process of SRS and SBS in Hohlraum plasma condition. Spectral features of the backscattered light are discussed with different plasma parameters. In the case of empty Hohlraum experiments, simulation results indicate that SBS, which grows fast at the energy deposition region near the Hohlraum wall, ismore » the dominant instability process. The time resolved spectra of SRS and SBS are numerically obtained, which agree with the experimental observations. For the gas-filled Hohlraum experiments, simulation results show that SBS grows fastest in Au plasma and amplifies convectively in C{sub 5}H{sub 12} gas, whereas SRS mainly grows in the high density region of the C{sub 5}H{sub 12} gas. Gain spectra and the spectra of backscattered light are simulated along the ray path, which clearly show the location where the intensity of scattered light with a certain wavelength increases. This work is helpful to comprehend the observed spectral features of SRS and SBS. The experiments and relevant analysis provide references for the ignition target design in future.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26905385','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26905385"><span>Hydrogen Recombination and Dimer Formation on Graphite from Ab Initio Molecular Dynamics Simulations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Casolo, S; Tantardini, G F; Martinazzo, R</p> <p>2016-07-14</p> <p>We studied Eley-Rideal molecular hydrogen formation on graphite using ab initio molecular dynamics, in the energy range relevant for the chemistry of the interstellar medium and for terrestrial experiments employing cold plasma (0.02-1 eV). We found substantial projectile steering effects that prevent dimer formation at low energies, thereby ruling out any catalytic synthetic pathways that form hydrogen molecules. Ortho and para dimers do form efficiently thanks to preferential sticking, but only at energies that are too high to be relevant for the chemistry of the interstellar medium. Computed reaction cross sections and ro-vibrational product populations are in good agreement with available experimental data and capable of generating adsorbate configurations similar to those observed with scanning tunneling microscopy techniques.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1399949','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1399949"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Bennink, Ryan S.; Ferragut, Erik M.; Humble, Travis S.</p> <p></p> <p>Modeling and simulation are essential for predicting and verifying the behavior of fabricated quantum circuits, but existing simulation methods are either impractically costly or require an unrealistic simplification of error processes. In this paper, we present a method of simulating noisy Clifford circuits that is both accurate and practical in experimentally relevant regimes. In particular, the cost is weakly exponential in the size and the degree of non-Cliffordness of the circuit. Our approach is based on the construction of exact representations of quantum channels as quasiprobability distributions over stabilizer operations, which are then sampled, simulated, and weighted to yield unbiasedmore » statistical estimates of circuit outputs and other observables. As a demonstration of these techniques, we simulate a Steane [[7,1,3</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/17496048','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/17496048"><span>A molecular dynamics study of slow base flipping in DNA using conformational flooding.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Bouvier, Benjamin; Grubmüller, Helmut</p> <p>2007-08-01</p> <p>Individual DNA bases are known to be able to flip out of the helical stack, providing enzymes with access to the genetic information otherwise hidden inside the helix. Consequently, base flipping is a necessary first step to many more complex biological processes such as DNA transcription or replication. Much remains unknown about this elementary step, despite a wealth of experimental and theoretical studies. From the theoretical point of view, the involved timescale of milliseconds or longer requires the use of enhanced sampling techniques. In contrast to previous theoretical studies employing umbrella sampling along a predefined flipping coordinate, this study attempts to induce flipping without prior knowledge of the pathway, using information from a molecular dynamics simulation of a B-DNA fragment and the conformational flooding method. The relevance to base flipping of the principal components of the simulation is assayed, and a combination of modes optimally related to the flipping of the base through either helical groove is derived for each of the two bases of the central guanine-cytosine basepair. By applying an artificial flooding potential along these collective coordinates, the flipping mechanism is accelerated to within the scope of molecular dynamics simulations. The associated free energy surface is found to feature local minima corresponding to partially flipped states, particularly relevant to flipping in isolated DNA; further transitions from these minima to the fully flipped conformation are accelerated by additional flooding potentials. The associated free energy profiles feature similar barrier heights for both bases and pathways; the flipped state beyond is a broad and rugged attraction basin, only a few kcal/mol higher in energy than the closed conformation. This result diverges from previous works but echoes some aspects of recent experimental findings, justifying the need for novel approaches to this difficult problem: this contribution represents a first step in this direction. Important structural factors involved in flipping, both local (sugar-phosphate backbone dihedral angles) and global (helical axis bend), are also identified.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22341953-simulating-compton-getting-effect-hydrogen-flux-measurements-implications-ibex-hi-lo-observations','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22341953-simulating-compton-getting-effect-hydrogen-flux-measurements-implications-ibex-hi-lo-observations"><span>Simulating the Compton-Getting effect for hydrogen flux measurements: Implications for IBEX-Hi and -Lo observations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Zirnstein, E. J.; Heerikhuisen, J.; McComas, D. J.</p> <p></p> <p>The Interstellar Boundary EXplorer (IBEX), launched in 2008 October, has improved our understanding of the solar wind-local interstellar medium interaction through its detection of neutral atoms, particularly that of hydrogen (H). IBEX is able to create full maps of the sky in six-month intervals as the Earth orbits the Sun, detecting H with energies between ∼0.01 and 6 keV. Due to the relative motion of IBEX to the solar inertial frame, measurements made in the spacecraft frame introduce a Compton-Getting (CG) effect, complicating measurements at the lowest energies. In this paper we provide results from a numerical simulation that calculatesmore » fluxes of H atoms at 1 AU in the inertial and spacecraft frames (both ram and anti-ram), at energies relevant to IBEX-Hi and -Lo. We show theory behind the numerical simulations, applying a simple frame transformation to derived flux equations that provides a straightforward way to simulate fluxes in the spacecraft frame. We then show results of H energetic neutral atom fluxes simulated at IBEX-Hi energy passbands 2-6 in all frames, comparing with IBEX-Hi data along selected directions, and also show results simulated at energies relevant to IBEX-Lo. Although simulations at IBEX-Hi energies agree reasonably well with the CG correction method used for IBEX-Hi data, we demonstrate the importance of properly modeling low energy H fluxes due to inherent complexities involved with measurements made in moving frames, as well as dynamic radiation pressure effects close to the Sun.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26241964','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26241964"><span>Structure and Function in Homodimeric Enzymes: Simulations of Cooperative and Independent Functional Motions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wells, Stephen A; van der Kamp, Marc W; McGeagh, John D; Mulholland, Adrian J</p> <p>2015-01-01</p> <p>Large-scale conformational change is a common feature in the catalytic cycles of enzymes. Many enzymes function as homodimers with active sites that contain elements from both chains. Symmetric and anti-symmetric cooperative motions in homodimers can potentially lead to correlated active site opening and/or closure, likely to be important for ligand binding and release. Here, we examine such motions in two different domain-swapped homodimeric enzymes: the DcpS scavenger decapping enzyme and citrate synthase. We use and compare two types of all-atom simulations: conventional molecular dynamics simulations to identify physically meaningful conformational ensembles, and rapid geometric simulations of flexible motion, biased along normal mode directions, to identify relevant motions encoded in the protein structure. The results indicate that the opening/closure motions are intrinsic features of both unliganded enzymes. In DcpS, conformational change is dominated by an anti-symmetric cooperative motion, causing one active site to close as the other opens; however a symmetric motion is also significant. In CS, we identify that both symmetric (suggested by crystallography) and asymmetric motions are features of the protein structure, and as a result the behaviour in solution is largely non-cooperative. The agreement between two modelling approaches using very different levels of theory indicates that the behaviours are indeed intrinsic to the protein structures. Geometric simulations correctly identify and explore large amplitudes of motion, while molecular dynamics simulations indicate the ranges of motion that are energetically feasible. Together, the simulation approaches are able to reveal unexpected functionally relevant motions, and highlight differences between enzymes.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4524684','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4524684"><span>Structure and Function in Homodimeric Enzymes: Simulations of Cooperative and Independent Functional Motions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>McGeagh, John D.; Mulholland, Adrian J.</p> <p>2015-01-01</p> <p>Large-scale conformational change is a common feature in the catalytic cycles of enzymes. Many enzymes function as homodimers with active sites that contain elements from both chains. Symmetric and anti-symmetric cooperative motions in homodimers can potentially lead to correlated active site opening and/or closure, likely to be important for ligand binding and release. Here, we examine such motions in two different domain-swapped homodimeric enzymes: the DcpS scavenger decapping enzyme and citrate synthase. We use and compare two types of all-atom simulations: conventional molecular dynamics simulations to identify physically meaningful conformational ensembles, and rapid geometric simulations of flexible motion, biased along normal mode directions, to identify relevant motions encoded in the protein structure. The results indicate that the opening/closure motions are intrinsic features of both unliganded enzymes. In DcpS, conformational change is dominated by an anti-symmetric cooperative motion, causing one active site to close as the other opens; however a symmetric motion is also significant. In CS, we identify that both symmetric (suggested by crystallography) and asymmetric motions are features of the protein structure, and as a result the behaviour in solution is largely non-cooperative. The agreement between two modelling approaches using very different levels of theory indicates that the behaviours are indeed intrinsic to the protein structures. Geometric simulations correctly identify and explore large amplitudes of motion, while molecular dynamics simulations indicate the ranges of motion that are energetically feasible. Together, the simulation approaches are able to reveal unexpected functionally relevant motions, and highlight differences between enzymes. PMID:26241964</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24992942','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24992942"><span>Agent-based modeling of malaria vectors: the importance of spatial simulation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Bomblies, Arne</p> <p>2014-07-03</p> <p>The modeling of malaria vector mosquito populations yields great insight into drivers of malaria transmission at the village scale. Simulation of individual mosquitoes as "agents" in a distributed, dynamic model domain may be greatly beneficial for simulation of spatial relationships of vectors and hosts. In this study, an agent-based model is used to simulate the life cycle and movement of individual malaria vector mosquitoes in a Niger Sahel village, with individual simulated mosquitoes interacting with their physical environment as well as humans. Various processes that are known to be epidemiologically important, such as the dependence of parity on flight distance between developmental habitat and blood meal hosts and therefore spatial relationships of pools and houses, are readily simulated using this modeling paradigm. Impacts of perturbations can be evaluated on the basis of vectorial capacity, because the interactions between individuals that make up the population- scale metric vectorial capacity can be easily tracked for simulated mosquitoes and human blood meal hosts, without the need to estimate vectorial capacity parameters. As expected, model results show pronounced impacts of pool source reduction from larvicide application and draining, but with varying degrees of impact depending on the spatial relationship between pools and human habitation. Results highlight the importance of spatially-explicit simulation that can model individuals such as in an agent-based model. The impacts of perturbations on village scale malaria transmission depend on spatial locations of individual mosquitoes, as well as the tracking of relevant life cycle events and characteristics of individual mosquitoes. This study demonstrates advantages of using an agent-based approach for village-scale mosquito simulation to address questions in which spatial relationships are known to be important.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28355594','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28355594"><span>Does teaching non-technical skills to medical students improve those skills and simulated patient outcome?</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hagemann, Vera; Herbstreit, Frank; Kehren, Clemens; Chittamadathil, Jilson; Wolfertz, Sandra; Dirkmann, Daniel; Kluge, Annette; Peters, Jürgen</p> <p>2017-03-29</p> <p>The purpose of this study is to evaluate the effects of a tailor-made, non-technical skills seminar on medical student's behaviour, attitudes, and performance during simulated patient treatment. Seventy-seven students were randomized to either a non-technical skills seminar (NTS group, n=43) or a medical seminar (control group, n=34). The human patient simulation was used as an evaluation tool. Before the seminars, all students performed the same simulated emergency scenario to provide baseline measurements. After the seminars, all students were exposed to a second scenario, and behavioural markers for evaluating their non-technical skills were rated. Furthermore, teamwork-relevant attitudes were measured before and after the scenarios, and perceived stress was measured following each simulation. All simulations were also evaluated for various medical endpoints. Non-technical skills concerning situation awareness (p<.01, r=0.5) and teamwork (p<.01, r=0.45) improved from simulation I to II in the NTS group. Decision making improved in both groups (NTS: p<.01, r=0.39; control: p<.01, r=0.46). The attitude 'handling errors' improved significantly in the NTS group (p<.05, r=0.34). Perceived stress decreased from simulation I to II in both groups. Medical endpoints and patients´ outcome did not differ significantly between the groups in simulation II. This study highlights the effectiveness of a single brief seminar on non-technical skills to improve student's non-technical skills. In a next step, to improve student's handling of emergencies and patient outcomes, non-technical skills seminars should be accompanied by exercises and more broadly embedded in the medical school curriculum.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PMB....62.7379M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PMB....62.7379M"><span>A method to incorporate the effect of beam quality on image noise in a digitally reconstructed radiograph (DRR) based computer simulation for optimisation of digital radiography</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Moore, Craig S.; Wood, Tim J.; Saunderson, John R.; Beavis, Andrew W.</p> <p>2017-09-01</p> <p>The use of computer simulated digital x-radiographs for optimisation purposes has become widespread in recent years. To make these optimisation investigations effective, it is vital simulated radiographs contain accurate anatomical and system noise. Computer algorithms that simulate radiographs based solely on the incident detector x-ray intensity (‘dose’) have been reported extensively in the literature. However, while it has been established for digital mammography that x-ray beam quality is an important factor when modelling noise in simulated images there are no such studies for diagnostic imaging of the chest, abdomen and pelvis. This study investigates the influence of beam quality on image noise in a digital radiography (DR) imaging system, and incorporates these effects into a digitally reconstructed radiograph (DRR) computer simulator. Image noise was measured on a real DR imaging system as a function of dose (absorbed energy) over a range of clinically relevant beam qualities. Simulated ‘absorbed energy’ and ‘beam quality’ DRRs were then created for each patient and tube voltage under investigation. Simulated noise images, corrected for dose and beam quality, were subsequently produced from the absorbed energy and beam quality DRRs, using the measured noise, absorbed energy and beam quality relationships. The noise images were superimposed onto the noiseless absorbed energy DRRs to create the final images. Signal-to-noise measurements in simulated chest, abdomen and spine images were within 10% of the corresponding measurements in real images. This compares favourably to our previous algorithm where images corrected for dose only were all within 20%.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29048214','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29048214"><span>Validation of a Full-Immersion Simulation Platform for Percutaneous Nephrolithotomy Using Three-Dimensional Printing Technology.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ghazi, Ahmed; Campbell, Timothy; Melnyk, Rachel; Feng, Changyong; Andrusco, Alex; Stone, Jonathan; Erturk, Erdal</p> <p>2017-12-01</p> <p>The restriction of resident hours with an increasing focus on patient safety and a reduced caseload has impacted surgical training. A complex and complication prone procedure such as percutaneous nephrolithotomy (PCNL) with a steep learning curve may create an unsafe environment for hands-on resident training. In this study, we validate a high fidelity, inanimate PCNL model within a full-immersion simulation environment. Anatomically correct models of the human pelvicaliceal system, kidney, and relevant adjacent structures were created using polyvinyl alcohol hydrogels and three-dimensional-printed injection molds. All steps of a PCNL were simulated including percutaneous renal access, nephroscopy, and lithotripsy. Five experts (>100 caseload) and 10 novices (<20 caseload) from both urology (full procedure) and interventional radiology (access only) departments completed the simulation. Face and content validity were calculated using model ratings for similarity to the real procedure and usefulness as a training tool. Differences in performance among groups with various levels of experience using clinically relevant procedural metrics were used to calculate construct validity. The model was determined to have an excellent face and content validity with an average score of 4.5/5.0 and 4.6/5.0, respectively. There were significant differences between novice and expert operative metrics including mean fluoroscopy time, the number of percutaneous access attempts, and number of times the needle was repositioned. Experts achieved better stone clearance with fewer procedural complications. We demonstrated the face, content, and construct validity of an inanimate, full task trainer for PCNL. Construct validity between experts and novices was demonstrated using incorporated procedural metrics, which permitted the accurate assessment of performance. While hands-on training under supervision remains an integral part of any residency, this full-immersion simulation provides a comprehensive tool for surgical skills development and evaluation before hands-on exposure.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MRE.....5a5044R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MRE.....5a5044R"><span>About the relevance of waviness, agglomeration, and strain on the electrical behavior of polymer composites filled with carbon nanotubes evaluated by a Monte-Carlo simulation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Román, Sebastián; Lund, Fernando; Bustos, Javier; Palza, Humberto</p> <p>2018-01-01</p> <p>In several technological applications, carbon nanotubes (CNT) are added to a polymer matrix in order to develop electrically conductive composite materials upon percolation of the CNT network. This percolation state depends on several parameters such as particle characteristics, degree of dispersion, and filler orientation. For instance, CNT aggregation is currently avoided because it is thought that it will have a negative effect on the electrical behavior despite some experimental evidence showing the contrary. In this study, the effect of CNT waviness, degree of agglomeration, and external strain, on the electrical percolation of polymer composites is studied by a three dimensional Monte-Carlo simulation. The simulation shows that the percolation threshold of CNT depends on the particle waviness, with rigid particles displaying the lowest values. Regarding the effect of CNT dispersion, our numerical results confirm that low levels of agglomeration reduce the percolation threshold of the composite. However, the threshold is shifted to larger values at high agglomeration states because of the appearance of isolated areas of high CNT concentrations. These results imply, therefore, an optimum of agglomeration that further depends on the waviness and concentration of CNT. Significantly, CNT agglomeration can further explain the broad percolation transition found in these systems. When an external strain is applied to the composites, the percolation concentration shifts to higher values because CNT alignment increases the inter-particle distances. The strain sensitivity of the composites is affected by the percolation state of CNT showing a maximum value at certain filler concentration. These results open up the discussion about the relevance in polymer composites of the dispersion state of CNT and filler flexibility towards electrically conductive composites.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015AGUFM.B12B..03D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015AGUFM.B12B..03D"><span>Hydro-geomechanical behaviour of gas-hydrate bearing soils during gas production through depressurization and CO2 injection</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Deusner, C.; Gupta, S.; Kossel, E.; Bigalke, N.; Haeckel, M.</p> <p>2015-12-01</p> <p>Results from recent field trials suggest that natural gas could be produced from marine gas hydrate reservoirs at compatible yields and rates. It appears, from a current perspective, that gas production would essentially be based on depressurization and, when facing suitable conditions, be assisted by local thermal stimulation or gas hydrate conversion after injection of CO2-rich fluids. Both field trials, onshore in the Alaska permafrost and in the Nankai Trough offshore Japan, were accompanied by different technical issues, the most striking problems resulting from un-predicted geomechanical behaviour, sediment destabilization and catastrophic sand production. So far, there is a lack of experimental data which could help to understand relevant mechanisms and triggers for potential soil failure in gas hydrate production, to guide model development for simulation of soil behaviour in large-scale production, and to identify processes which drive or, further, mitigate sand production. We use high-pressure flow-through systems in combination with different online and in situ monitoring tools (e.g. Raman microscopy, MRI) to simulate relevant gas hydrate production scenarios. Key components for soil mechanical studies are triaxial systems with ERT (Electric resistivity tomography) and high-resolution local strain analysis. Sand production control and management is studied in a novel hollow-cylinder-type triaxial setup with a miniaturized borehole which allows fluid and particle transport at different fluid injection and flow conditions. Further, the development of a large-scale high-pressure flow-through triaxial test system equipped with μ-CT is ongoing. We will present results from high-pressure flow-through experiments on gas production through depressurization and injection of CO2-rich fluids. Experimental data are used to develop and parametrize numerical models which can simulate coupled process dynamics during gas-hydrate formation and gas production.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2002cosp...34E..54K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2002cosp...34E..54K"><span>Simulation of physical and chemical processes in support of space missions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kochan, H.; Sears, D.; Colangeli, L.; Ehrenfreund, P.</p> <p></p> <p>For many years, phenomena on planetary surfaces have been simulated under space conditions on Earth-bound laboratories. In a six-year program at the German Aerospace Center, Cologne, phenomena on cometary surfaces were studied and provided new insights that enhanced the data from space missions. Similar simulation techniques are being applied in a new research program at DLR in preparation for the rendezvous of the Rosetta space craft with comet Wirtanen at 3 A.U and for the Mars Express mission with the British Beagle 2 lander which will search for traces of life. The Arkansas-Oklahoma Center for Space and Planetary Sciences is preparing to conduct experiments that will aid in the interpretation of images from Mars orbiters in terms of fluid and dust storm processes and help design instrumentation for deployment on Mars. Of particular interest is the question of the present location of the water that was apparently once abundant on Mars. Additional experiments at the new U.S. facility will help interpret images of Eros obtained by the NEAR spacecraft and to prepare for future sample return missions to near-Earth asteroids while providing fundamental insights into regolith mechanics and regolith- atmosphere interactions. The activities in the Cosmic Physics Laboratory of Naples are focused on the simulation of materials and processes active in space in the perspective of studying how physical and chemical properties of cosmic relevant species evolve depending on environmental conditions. This approach is complemented by investigation on actual extraterrestrial samples, such as meteorites and interplanetary dust particles. The approach is useful to characterize the performances of space instruments for remote and/or in -situ exploration of Solar System bodies, also in the view of searching features of exobiological relevance. One of the key objectives of the Soft matter/Astrobiology laboratory at Leiden University is to study the formation, evolution and survival of organic molecules in space and their delivery to the early planets via comets and meteorites in support of current and future space missions. For this purpose a simulation chamber has been recently equipped at the European Space Agency which is testing the behaviour or organics on the Martian surface and their implications for extinct and extant life on Mars.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5785007','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5785007"><span>The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Condic-Jurkic, Karmen; Subramanian, Nandhitha; Mark, Alan E.</p> <p>2018-01-01</p> <p>Despite decades of research, the mechanism of action of the ABC multidrug transporter P-glycoprotein (P-gp) remains elusive. Due to experimental limitations, many researchers have turned to molecular dynamics simulation studies in order to investigate different aspects of P-gp function. However, such studies are challenging and caution is required when interpreting the results. P-gp is highly flexible and the time scale on which it can be simulated is limited. There is also uncertainty regarding the accuracy of the various crystal structures available, let alone the structure of the protein in a physiologically relevant environment. In this study, three alternative structural models of mouse P-gp (3G5U, 4KSB, 4M1M), all resolved to 3.8 Å, were used to initiate sets of simulations of P-gp in a membrane environment in order to determine: a) the sensitivity of the results to differences in the starting configuration; and b) the extent to which converged results could be expected on the times scales commonly simulated for this system. The simulations suggest that the arrangement of the nucleotide binding domains (NBDs) observed in the crystal structures is not stable in a membrane environment. In all simulations, the NBDs rapidly associated (within 10 ns) and changes within the transmembrane helices were observed. The secondary structure within the transmembrane domain was best preserved in the 4M1M model under the simulation conditions used. However, the extent to which replicate simulations diverged on a 100 to 200 ns timescale meant that it was not possible to draw definitive conclusions as to which structure overall was most stable, or to obtain converged and reliable results for any of the properties examined. The work brings into question the reliability of conclusions made in regard to the nature of specific interactions inferred from previous simulation studies on this system involving similar sampling times. It also highlights the need to demonstrate the statistical significance of any results obtained in simulations of large flexible proteins, especially where the initial structure is uncertain. PMID:29370310</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29370310','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29370310"><span>The reliability of molecular dynamics simulations of the multidrug transporter P-glycoprotein in a membrane environment.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Condic-Jurkic, Karmen; Subramanian, Nandhitha; Mark, Alan E; O'Mara, Megan L</p> <p>2018-01-01</p> <p>Despite decades of research, the mechanism of action of the ABC multidrug transporter P-glycoprotein (P-gp) remains elusive. Due to experimental limitations, many researchers have turned to molecular dynamics simulation studies in order to investigate different aspects of P-gp function. However, such studies are challenging and caution is required when interpreting the results. P-gp is highly flexible and the time scale on which it can be simulated is limited. There is also uncertainty regarding the accuracy of the various crystal structures available, let alone the structure of the protein in a physiologically relevant environment. In this study, three alternative structural models of mouse P-gp (3G5U, 4KSB, 4M1M), all resolved to 3.8 Å, were used to initiate sets of simulations of P-gp in a membrane environment in order to determine: a) the sensitivity of the results to differences in the starting configuration; and b) the extent to which converged results could be expected on the times scales commonly simulated for this system. The simulations suggest that the arrangement of the nucleotide binding domains (NBDs) observed in the crystal structures is not stable in a membrane environment. In all simulations, the NBDs rapidly associated (within 10 ns) and changes within the transmembrane helices were observed. The secondary structure within the transmembrane domain was best preserved in the 4M1M model under the simulation conditions used. However, the extent to which replicate simulations diverged on a 100 to 200 ns timescale meant that it was not possible to draw definitive conclusions as to which structure overall was most stable, or to obtain converged and reliable results for any of the properties examined. The work brings into question the reliability of conclusions made in regard to the nature of specific interactions inferred from previous simulation studies on this system involving similar sampling times. It also highlights the need to demonstrate the statistical significance of any results obtained in simulations of large flexible proteins, especially where the initial structure is uncertain.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012AGUFMGC43G..04S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012AGUFMGC43G..04S"><span>Increasing the relevance of GCM simulations for Climate Services</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Smith, L. A.; Suckling, E.</p> <p>2012-12-01</p> <p>The design and interpretation of model simulations for climate services differ significantly from experimental design for the advancement of the fundamental research on predictability that underpins it. Climate services consider the sources of best information available today; this calls for a frank evaluation of model skill in the face of statistical benchmarks defined by empirical models. The fact that Physical simulation models are thought to provide the only reliable method for extrapolating into conditions not previously observed has no bearing on whether or not today's simulation models outperform empirical models. Evidence on the length scales on which today's simulation models fail to outperform empirical benchmarks is presented; it is illustrated that this occurs even on global scales in decadal prediction. At all timescales considered thus far (as of July 2012), predictions based on simulation models are improved by blending with the output of statistical models. Blending is shown to be more interesting in the climate context than it is in the weather context, where blending with a history-based climatology is straightforward. As GCMs improve and as the Earth's climate moves further from that of the last century, the skill from simulation models and their relevance to climate services is expected to increase. Examples from both seasonal and decadal forecasting will be used to discuss a third approach that may increase the role of current GCMs more quickly. Specifically, aspects of the experimental design in previous hind cast experiments are shown to hinder the use of GCM simulations for climate services. Alternative designs are proposed. The value in revisiting Thompson's classic approach to improving weather forecasting in the fifties in the context of climate services is discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24116601','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24116601"><span>Enhanced conformational sampling using enveloping distribution sampling.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Lin, Zhixiong; van Gunsteren, Wilfred F</p> <p>2013-10-14</p> <p>To lessen the problem of insufficient conformational sampling in biomolecular simulations is still a major challenge in computational biochemistry. In this article, an application of the method of enveloping distribution sampling (EDS) is proposed that addresses this challenge and its sampling efficiency is demonstrated in simulations of a hexa-β-peptide whose conformational equilibrium encompasses two different helical folds, i.e., a right-handed 2.7(10∕12)-helix and a left-handed 3(14)-helix, separated by a high energy barrier. Standard MD simulations of this peptide using the GROMOS 53A6 force field did not reach convergence of the free enthalpy difference between the two helices even after 500 ns of simulation time. The use of soft-core non-bonded interactions in the centre of the peptide did enhance the number of transitions between the helices, but at the same time led to neglect of relevant helical configurations. In the simulations of a two-state EDS reference Hamiltonian that envelops both the physical peptide and the soft-core peptide, sampling of the conformational space of the physical peptide ensures that physically relevant conformations can be visited, and sampling of the conformational space of the soft-core peptide helps to enhance the transitions between the two helices. The EDS simulations sampled many more transitions between the two helices and showed much faster convergence of the relative free enthalpy of the two helices compared with the standard MD simulations with only a slightly larger computational effort to determine optimized EDS parameters. Combined with various methods to smoothen the potential energy surface, the proposed EDS application will be a powerful technique to enhance the sampling efficiency in biomolecular simulations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/21251516-full-scale-numerical-modeling-turbulent-processes-earth-ionosphere','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/21251516-full-scale-numerical-modeling-turbulent-processes-earth-ionosphere"><span>Full-Scale Numerical Modeling of Turbulent Processes in the Earth's Ionosphere</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Eliasson, B.; Stenflo, L.; Department of Physics, Linkoeping University, SE-581 83 Linkoeping</p> <p>2008-10-15</p> <p>We present a full-scale simulation study of ionospheric turbulence by means of a generalized Zakharov model based on the separation of variables into high-frequency and slow time scales. The model includes realistic length scales of the ionospheric profile and of the electromagnetic and electrostatic fields, and uses ionospheric plasma parameters relevant for high-latitude radio facilities such as Eiscat and HAARP. A nested grid numerical method has been developed to resolve the different length-scales, while avoiding severe restrictions on the time step. The simulation demonstrates the parametric decay of the ordinary mode into Langmuir and ion-acoustic waves, followed by a Langmuirmore » wave collapse and short-scale caviton formation, as observed in ionospheric heating experiments.« less</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li class="active"><span>24</span></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_24 --> <div id="page_25" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li class="active"><span>25</span></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="481"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19760029858&hterms=papers+scientists&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D40%26Ntt%3Dpapers%2Bscientists','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19760029858&hterms=papers+scientists&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D40%26Ntt%3Dpapers%2Bscientists"><span>NASA/ESA CV-990 airborne simulation of Spacelab</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Mulholland, D.; Neel, C.; De Waard, J.; Lovelett, R.; Weaver, L.; Parker, R.</p> <p>1975-01-01</p> <p>The paper describes the joint NASA/ESA extensive Spacelab simulation using the NASA CV-990 airborne laboratory. The scientific payload was selected to conduct studies in upper atmospheric physics and infrared astronomy. Two experiment operators from Europe and two from the U.S. were selected to live aboard the aircraft along with a mission manager for a six-day period and operate the experiments in behalf of the principal scientists. The mission was successful and provided extensive data relevant to Spacelab objectives on overall management of a complex international payload; experiment preparation, testing, and integration; training for proxy operation in space; data handling; multiexperimenter use of common experimenter facilities (telescopes); and schedule requirements to prepare for such a Spacelab mission.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19980218977&hterms=organic+chemistry&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D10%26Ntt%3Dorganic%2Bchemistry','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19980218977&hterms=organic+chemistry&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D10%26Ntt%3Dorganic%2Bchemistry"><span>Organic Chemistry in Interstellar Ices: Connection to the Comet Halley Results</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Schutte, W. A.; Agarwal, V. K.; deGroot, M. S.; Greenberg, J. M.; McCain, P.; Ferris, J. P.; Briggs, R.</p> <p>1997-01-01</p> <p>Mass spectroscopic measurements on the gas and dust in the coma of Comet Halley revealed the presence of considerable amounts of organic species. Greenberg (1973) proposed that prior to the formation of the comet UV processing of the ice mantles on grains in dense clouds could lead to the formation of complex organic molecules. Theoretical predictions of the internal UV field in dense clouds as well as the discovery in interstellar ices of species like OCS and OCN- which have been formed in simulation experiments by photoprocessing of interstellar ice analogues point to the importance of such processing. We undertook a laboratory simulation study of the formation of organic molecules in interstellar ices and their possible relevance to the Comet Halley results.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MsT.........22T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MsT.........22T"><span>Numerical Study of Current Driven Instabilities and Anomalous Electron Transport in Hall-effect Thrusters</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tran, Jonathan</p> <p></p> <p>Plasma turbulence and the resulting anomalous electron transport due to azimuthal current driven instabilities in Hall-effect thrusters is a promising candidate for developing predictive models for the observed anomalous transport. A theory for anomalous electron transport and current driven instabilities has been recently studied by [Lafluer et al., 2016a]. Due to the extreme cost of fully resolving the Debye length and plasma frequency, hybrid plasma simulations utilizing kinetic ions and quasi-steady state fluid electrons have long been the principle workhorse methodology for Hall-effect thruster modeling. Using a reduced dimension particle in cell simulation implemented in the Thermophysics Universal Research Framework developed by the Air Force Research Lab, we show collective electron-wave scattering due to large amplitude azimuthal fluctuations of the electric field and the plasma density. These high-frequency and short wavelength fluctuations can lead to an effective cross-field mobility many orders of magnitude larger than what is expected from classical electron-neutral momentum collisions in the low neutral density regime. We further adapt the previous study by [Lampe et al., 1971] and [Stringer, 1964] for related current driven instabilities to electric propulsion relevant mass ratios and conditions. Finally, we conduct a preliminary study of resolving this instability with a modified hybrid simulation with the hope of integration with established hybrid Hall-effect thruster simulations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22436538-theoretical-study-ammonia-nitridation-rate-fe-surface-combined-density-functional-theory-kinetic-monte-carlo-study','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22436538-theoretical-study-ammonia-nitridation-rate-fe-surface-combined-density-functional-theory-kinetic-monte-carlo-study"><span>Theoretical study of the ammonia nitridation rate on an Fe (100) surface: A combined density functional theory and kinetic Monte Carlo study</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Yeo, Sang Chul; Lee, Hyuck Mo, E-mail: hmlee@kaist.ac.kr; Lo, Yu Chieh</p> <p>2014-10-07</p> <p>Ammonia (NH{sub 3}) nitridation on an Fe surface was studied by combining density functional theory (DFT) and kinetic Monte Carlo (kMC) calculations. A DFT calculation was performed to obtain the energy barriers (E{sub b}) of the relevant elementary processes. The full mechanism of the exact reaction path was divided into five steps (adsorption, dissociation, surface migration, penetration, and diffusion) on an Fe (100) surface pre-covered with nitrogen. The energy barrier (E{sub b}) depended on the N surface coverage. The DFT results were subsequently employed as a database for the kMC simulations. We then evaluated the NH{sub 3} nitridation rate onmore » the N pre-covered Fe surface. To determine the conditions necessary for a rapid NH{sub 3} nitridation rate, the eight reaction events were considered in the kMC simulations: adsorption, desorption, dissociation, reverse dissociation, surface migration, penetration, reverse penetration, and diffusion. This study provides a real-time-scale simulation of NH{sub 3} nitridation influenced by nitrogen surface coverage that allowed us to theoretically determine a nitrogen coverage (0.56 ML) suitable for rapid NH{sub 3} nitridation. In this way, we were able to reveal the coverage dependence of the nitridation reaction using the combined DFT and kMC simulations.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/15105214','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/15105214"><span>Comparative testing of pulse oximeter probes.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>van Oostrom, Johannes H; Melker, Richard J</p> <p>2004-05-01</p> <p>The testing of pulse oximeter probes is generally limited to the integrity of the electrical circuit and does not include the optical properties of the probes. Few pulse oximeter testers evaluate the accuracy of both the monitor and the probe. We designed a study to compare the accuracy of nonproprietary probes (OSS Medical) designed for use with Nellcor, Datex-Ohmeda, and Criticare pulse oximeter monitors with that of their corresponding proprietary probes by using a commercial off-the-shelf pulse oximeter tester (Index). The Index pulse oximeter tester does include testing of the optical properties of the pulse oximeter probes. The pulse oximeter tester was given a controlled input that simulated acute apnea. Desaturation curves were automatically recorded from the pulse oximeter monitors with a data-collection computer. Comparisons between equivalent proprietary and nonproprietary probes were performed. Data were analyzed by using univariate and multivariate general linear model analysis. Five OSS Medical probe models were statistically better than the equivalent proprietary probes. The remainder of the probes were statistically similar. Comparative and simulation studies can have significant advantages over human studies because they are cost-effective, evaluate equipment in a clinically relevant scenario, and pose no risk to patients, but they are limited by the realism of the simulation. We studied the performance of pulse oximeter probes in a simulated environment. Our results show significant differences between some probes that affect the accuracy of measurement.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27622147','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27622147"><span>Using simulation to train orthopaedic trainees in non-technical skills: A pilot study.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Heaton, Samuel R; Little, Zoe; Akhtar, Kash; Ramachandran, Manoj; Lee, Joshua</p> <p>2016-08-18</p> <p>To enhance non-technical skills and to analyse participant's experience of a course tailored for orthopaedic surgeons. A Delphi technique was used to develop a course in human factors specific to orthopaedic residents. Twenty-six residents (six per course) participated in total with seven course facilitators all trained in Crisis Resource Management providing structured feedback. Six scenarios recreated challenging real-life situations using high-fidelity mannequins and simulated patients. Environments included a simulated operating suite, clinic room and ward setting. All were undertaken in a purpose built simulation suite utilising actors, mock operating rooms, mock clinical rooms and a high fidelity adult patient simulator organised through a simulation control room. Participants completed a 5-point Likert scale questionnaire (strongly disagree to strongly agree) before and after the course. This assessed their understanding of non-technical skills, scenario validity, relevance to orthopaedic training and predicted impact of the course on future practice. A course evaluation questionnaire was also completed to assess participants' feedback on the value and quality of the course itself. Twenty-six orthopaedic residents participated (24 male, 2 female; post-graduation 5-10 years), mean year of residency program 2.6 out of 6 years required in the United Kingdom. Pre-course questionnaires showed that while the majority of candidates recognised the importance of non-technical (NT) skills in orthopaedic training they demonstrated poor understanding of non-technical skills and their role. This improved significantly after the course (Likert score 3.0-4.2) and the perceived importance of these skills was reported as good or very good in 100%. The course was reported as enjoyable and provided an unthreatening learning environment with the candidates placing particular value on the learning opportunity provided by reflecting on their performance. All agreed that the course achieved its intended aims with realistic simulation scenarios. Participants believed patient care, patient safety and team working would all improve with further human factors training (4.4-4.6). and felt that NT skills learnt through simulation-based training should become an integral component of their training program. Participants demonstrated improved understanding of non-technical performance, recognised its relevance to patient safety and expressed a desire for its integration in training.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010AGUFM.S51D..05R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010AGUFM.S51D..05R"><span>The global radioxenon background and its impact on the detection capability of underground nuclear explosions (Invited)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ringbom, A.</p> <p>2010-12-01</p> <p>A detailed knowledge of both the spatial and isotopic distribution of anthropogenic radioxenon is essential in investigations of the performance of the radioxenon part of the IMS, as well as in the development of techniques to discriminate radioxenon signatures from a nuclear explosion from other sources. Further, the production processes in the facilities causing the radioxenon background has to be understood and be compatible with simulations. In this work, several aspects of the observed atmospheric radioxenon background are investigated, including the global distribution as well as the current understanding of the observed isotopic ratios. Analyzed radioxenon data from the IMS, as well as from other measurement stations, are used to create an up-to-date description of the global radioxenon background, including all four CTBT relevant xenon isotopes (133Xe, 131mXe, 133mXe, and 135Xe). In addition, measured isotopic ratios will be compared to simulations of neutron induced fission of 235U, and the uncertainties will be discussed. Finally, the impact of the radioxenon background on the detection capability of the IMS will be investigated. This work is a continuation of studies [1,2] that was presented at the International Scientific Studies conference held in Vienna in 2009. [1] A. Ringbom, et.al., “Characterization of the global distribution of atmospheric radioxenons”, International Scientific Studies Conference on CTBT Verification, 10-12 June 2009. [2] R. D'Amours and A. Ringbom, “A study on the global detection capability of IMS for all CTBT relevant xenon isotopes“, International Scientific Studies Conference on CTBT Verification, 10-12 June 2009.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014PhDT........68E','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014PhDT........68E"><span>Rotating Detonation Combustion: A Computational Study for Stationary Power Generation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Escobar, Sergio</p> <p></p> <p>The increased availability of gaseous fossil fuels in The US has led to the substantial growth of stationary Gas Turbine (GT) usage for electrical power generation. In fact, from 2013 to 2104, out of the 11 Tera Watts-hour per day produced from fossil fuels, approximately 27% was generated through the combustion of natural gas in stationary GT. The thermodynamic efficiency for simple-cycle GT has increased from 20% to 40% during the last six decades, mainly due to research and development in the fields of combustion science, material science and machine design. However, additional improvements have become more costly and more difficult to obtain as technology is further refined. An alternative to improve GT thermal efficiency is the implementation of a combustion regime leading to pressure-gain; rather than pressure loss across the combustor. One concept being considered for such purpose is Rotating Detonation Combustion (RDC). RDC refers to a combustion regime in which a detonation wave propagates continuously in the azimuthal direction of a cylindrical annular chamber. In RDC, the fuel and oxidizer, injected from separated streams, are mixed near the injection plane and are then consumed by the detonation front traveling inside the annular gap of the combustion chamber. The detonation products then expand in the azimuthal and axial direction away from the detonation front and exit through the combustion chamber outlet. In the present study Computational Fluid Dynamics (CFD) is used to predict the performance of Rotating Detonation Combustion (RDC) at operating conditions relevant to GT applications. As part of this study, a modeling strategy for RDC simulations was developed. The validation of the model was performed using benchmark cases with different levels of complexity. First, 2D simulations of non-reactive shock tube and detonation tubes were performed. The numerical predictions that were obtained using different modeling parameters were compared with analytical solutions in order to quantify the numerical error in the simulations. Additionally, experimental data from laboratory scale combustors was used to validate 2D and 3D numerical simulations. The effects of different modeling parameters on RDC predictions was also studied. The validated simulation strategy was then used to assess the performance of RDC for different combustion chamber geometries and operating conditions relevant to GT applications. As a result, the limiting conditions for which continuous detonation and pressure gain combustion can be achieved were predicted and the effect of operating conditions on flow structures and RDC performance was assessed. The modeling strategy and the results from this study could be further used to design more efficient and more stable RDC systems.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28368954','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28368954"><span>U.S. Army Physical Demands Study: Reliability of Simulations of Physically Demanding Tasks Performed by Combat Arms Soldiers.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Foulis, Stephen A; Redmond, Jan E; Frykman, Peter N; Warr, Bradley J; Zambraski, Edward J; Sharp, Marilyn A</p> <p>2017-12-01</p> <p>Foulis, SA, Redmond, JE, Frykman, PN, Warr, BJ, Zambraski, EJ, and Sharp, MA. U.S. Army physical demands study: reliability of simulations of physically demanding tasks performed by combat arms soldiers. J Strength Cond Res 31(12): 3245-3252, 2017-Recently, the U.S. Army has mandated that soldiers must successfully complete the physically demanding tasks of their job to graduate from their Initial Military Training. Evaluating individual soldiers in the field is difficult; however, simulations of these tasks may aid in the assessment of soldiers' abilities. The purpose of this study was to determine the reliability of simulated physical soldiering tasks relevant to combat arms soldiers. Three cohorts of ∼50 soldiers repeated a subset of 8 simulated tasks 4 times over 2 weeks. Simulations included: sandbag carry, casualty drag, and casualty evacuation from a vehicle turret, move under direct fire, stow ammunition on a tank, load the main gun of a tank, transferring ammunition with a field artillery supply vehicle, and a 4-mile foot march. Reliability was assessed using intraclass correlation coefficients (ICCs), standard errors of measurement (SEMs), and 95% limits of agreement. Performance of the casualty drag and foot march did not improve across trials (p > 0.05), whereas improvements, suggestive of learning effects, were observed on the remaining 6 tasks (p ≤ 0.05). The ICCs ranged from 0.76 to 0.96, and the SEMs ranged from 3 to 16% of the mean. These 8 simulated tasks show high reliability. Given proper practice, they are suitable for evaluating the ability of Combat Arms Soldiers to complete the physical requirements of their jobs.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20100042507','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20100042507"><span>Interplanetary Transit Simulations Using the International Space Station</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Charles, J. B.; Arya, Maneesh</p> <p>2010-01-01</p> <p>It has been suggested that the International Space Station (ISS) be utilized to simulate the transit portion of long-duration missions to Mars and near-Earth asteroids (NEA). The ISS offers a unique environment for such simulations, providing researchers with a high-fidelity platform to study, enhance, and validate technologies and countermeasures for these long-duration missions. From a space life sciences perspective, two major categories of human research activities have been identified that will harness the various capabilities of the ISS during the proposed simulations. The first category includes studies that require the use of the ISS, typically because of the need for prolonged weightlessness. The ISS is currently the only available platform capable of providing researchers with access to a weightless environment over an extended duration. In addition, the ISS offers high fidelity for other fundamental space environmental factors, such as isolation, distance, and accessibility. The second category includes studies that do not require use of the ISS in the strictest sense, but can exploit its use to maximize their scientific return more efficiently and productively than in ground-based simulations. In addition to conducting Mars and NEA simulations on the ISS, increasing the current increment duration on the ISS from 6 months to a longer duration will provide opportunities for enhanced and focused research relevant to long-duration Mars and NEA missions. Although it is currently believed that increasing the ISS crew increment duration to 9 or even 12 months will pose little additional risk to crewmembers, additional medical monitoring capabilities may be required beyond those currently used for the ISS operations. The use of the ISS to simulate aspects of Mars and NEA missions seems practical, and it is recommended that planning begin soon, in close consultation with all international partners.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/21287627','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/21287627"><span>Molecular dynamics simulation of β₂-microglobulin in denaturing and stabilizing conditions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Fogolari, Federico; Corazza, Alessandra; Varini, Nicola; Rotter, Matteo; Gumral, Devrim; Codutti, Luca; Rennella, Enrico; Viglino, Paolo; Bellotti, Vittorio; Esposito, Gennaro</p> <p>2011-03-01</p> <p>β₂-Microglobulin has been a model system for the study of fibril formation for 20 years. The experimental study of β₂-microglobulin structure, dynamics, and thermodynamics in solution, at atomic detail, along the pathway leading to fibril formation is difficult because the onset of disorder and aggregation prevents signal resolution in Nuclear Magnetic Resonance experiments. Moreover, it is difficult to characterize conformers in exchange equilibrium. To gain insight (at atomic level) on processes for which experimental information is available at molecular or supramolecular level, molecular dynamics simulations have been widely used in the last decade. Here, we use molecular dynamics to address three key aspects of β₂-microglobulin, which are known to be relevant to amyloid formation: (1) 60 ns molecular dynamics simulations of β₂-microglobulin in trifluoroethanol and in conditions mimicking low pH are used to study the behavior of the protein in environmental conditions that are able to trigger amyloid formation; (2) adaptive biasing force molecular dynamics simulation is used to force cis-trans isomerization at Proline 32 and to calculate the relative free energy in the folded and unfolded state. The native-like trans-conformer (known as intermediate 2 and determining the slow phase of refolding), is simulated for 10 ns, detailing the possible link between cis-trans isomerization and conformational disorder; (3) molecular dynamics simulation of highly concentrated doxycycline (a molecule able to suppress fibril formation) in the presence of β₂-microglobulin provides details of the binding modes of the drug and a rationale for its effect. Copyright © 2010 Wiley-Liss, Inc.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015EGUGA..1714510P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015EGUGA..1714510P"><span>Observatory response to a volcanic crisis: the Campi Flegrei simulation exercise</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Papale, Paolo; De Natale, Giuseppe</p> <p>2015-04-01</p> <p>In Febraury 2014 a simulation exercise was conducted at Campi Flegrei, Italy, in order to test the scientific response capabilities and the effectiveness of communication with Civil Protection authorities. The simulation was organized in the frame of the EU-VUELCO project, and involved the participation of the Osservatorio Vesuviano of INGV (INGV-OV) corroborated by other INGV scientists involved for their specific competencies; and the Italian Civil Protection, which was supported by an expert team formed by selected experts from the Italian academy and by VUELCO scientists from several EU and Latin American countries. The simulation included a previously appointed group of four volcanologists covering a range of expertise in volcano seismology, geodesy, geochemistry, and with experience both on the Campi Flegrei system and on other volcanic systems and crises in the world. The duty of this 'volcano team' was that of producing consistent sets of signals, that were sent to INGV-OV at the beginning of each simulation phase. In turn, the observatory response was that of i) immediately communicate the relevant observations to the Civil Protection; ii) analyze the synthetic signals and observations and extract a consistent picture and interpretation, including the analysis and quantification of uncertainties; iii) organize all the information produced in a bulletin, that was sent to the Civil Protection at the end of each simulation phase and that contained, according to national established agreements, a) the information available, and b) its interpretation including forecasts on the possible medium-short term evolution. The test included four simulation phases and it was blind, as only the volcano team knew the evolution and the final outcome; the volcano team was located at the INGV buildings in Rome, far from INGV-OV in Naples and the Civil Protection Dept. still in Rome, and with no contacts with any of them for the entire duration of the simulation. In this presentation we shortly review the whole simulation exercise focussing on the observatory response; we discuss the team organization at INGV-OV and the interaction set up between the different technical and scientific components; illustrate the evolution of the crisis commenting on the capability of the observatory to provide consistent interpretation and useful information; discuss the relevant issue of communication with Civil Protection authorities; and comment on the relevance of such exercises in order to optimize and test the response capabilities and the communication procedures at volcano observatories.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3422070','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3422070"><span>Improved signal processing approaches in an offline simulation of a hybrid brain–computer interface</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Brunner, Clemens; Allison, Brendan Z.; Krusienski, Dean J.; Kaiser, Vera; Müller-Putz, Gernot R.; Pfurtscheller, Gert; Neuper, Christa</p> <p>2012-01-01</p> <p>In a conventional brain–computer interface (BCI) system, users perform mental tasks that yield specific patterns of brain activity. A pattern recognition system determines which brain activity pattern a user is producing and thereby infers the user’s mental task, allowing users to send messages or commands through brain activity alone. Unfortunately, despite extensive research to improve classification accuracy, BCIs almost always exhibit errors, which are sometimes so severe that effective communication is impossible. We recently introduced a new idea to improve accuracy, especially for users with poor performance. In an offline simulation of a “hybrid” BCI, subjects performed two mental tasks independently and then simultaneously. This hybrid BCI could use two different types of brain signals common in BCIs – event-related desynchronization (ERD) and steady-state evoked potentials (SSEPs). This study suggested that such a hybrid BCI is feasible. Here, we re-analyzed the data from our initial study. We explored eight different signal processing methods that aimed to improve classification and further assess both the causes and the extent of the benefits of the hybrid condition. Most analyses showed that the improved methods described here yielded a statistically significant improvement over our initial study. Some of these improvements could be relevant to conventional BCIs as well. Moreover, the number of illiterates could be reduced with the hybrid condition. Results are also discussed in terms of dual task interference and relevance to protocol design in hybrid BCIs. PMID:20153371</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28746228','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28746228"><span>Randomized, noninferiority study between video versus hand ultrasound with wet foam dressing materials to simulate B-lines in lung ultrasound: A CONSORT-compliant article.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Park, Eun Jung; Yoon, Young Tak; Hong, Chong Kun; Ha, Young Rock; Ahn, Jung Hwan</p> <p>2017-07-01</p> <p>This study evaluated the efficacy of a teaching method using simulated B-lines of hand ultrasound with a wet foam dressing material. This prospective, randomized, noninferiority study was conducted on emergency medical technician students without any relevant training in ultrasound. Following a lecture including simulated (SG) or real video clips (RG) of B-lines, a posttest was conducted and a retention test was performed after 2 months. The test consisted of questions about B-lines in 40 randomly mixed video clips (20 simulated and 20 real videos) with 4 answer scores (R-1 [the correct answer score for the real video clips] vs S-1 [the correct answer score for the simulated video clips] in the posttest, R-2 [the correct answer score for the real video clips] vs S-2 [the correct answer score for the simulated video clips] in the retention test). A total of 77 and 73 volunteers participated in the posttest (RG, 38; SG, 39) and retention test (RG, 36; SG, 37), respectively. There was no significant (P > .05) difference in scores of R-1, S-1, R-2, or S-2 between RG and SG. The mean score differences between RG and SG were -0.6 (95% confidence interval [CI]: -1.49 to 0.11) in R-1, -0.1 (95% CI: -1.04 to 0.86) in S-1, 0 (95% CI: -1.57 to 1.50) in R-2, and -0.2 (95% CI: -1.52 to 0.25) in S-2. The mean differences and 95% CIs for all parameters fell within the noninferiority margin of 2 points (10%). Simulated B-lines of hand ultrasound with a wet foam dressing material were not inferior to real B-lines. They were effective for teaching and simulations. The study was registered with the Clinical Trial Registry of Korea: https://cris.nih.go.kr/cris/index.jsp (KCT0002144).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20160012731','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20160012731"><span>A Simulation Based Investigation of High Latency Space Systems Operations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Li, Zu Qun; Moore, Michael; Bielski, Paul; Crues, Edwin Z.</p> <p>2017-01-01</p> <p>This study was the first in a series of planned tests to use physics-based subsystem simulations to investigate the interactions between a spacecraft's crew and a ground-based mission control center for vehicle subsystem operations across long communication delays. The simulation models the life support system of a deep space habitat. It contains models of an environmental control and life support system, an electrical power system, an active thermal control systems, and crew metabolic functions. The simulation has three interfaces: 1) a real-time crew interface that can be use to monitor and control the subsystems; 2) a mission control center interface with data transport delays up to 15 minute each way; and 3) a real-time simulation test conductor interface used to insert subsystem malfunctions and observe the interactions between the crew, ground, and simulated vehicle. The study was conducted at the 21st NASA Extreme Environment Mission Operations (NEEMO) mission. The NEEMO crew and ground support team performed a number of relevant deep space mission scenarios that included both nominal activities and activities with system malfunctions. While this initial test sequence was focused on test infrastructure and procedures development, the data collected in the study already indicate that long communication delays have notable impacts on the operation of deep space systems. For future human missions beyond cis-lunar, NASA will need to design systems and support tools to meet these challenges. These will be used to train the crew to handle critical malfunctions on their own, to predict malfunctions and assist with vehicle operations. Subsequent more detailed and involved studies will be conducted to continue advancing NASA's understanding of space systems operations across long communications delays.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20170003944','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20170003944"><span>A Simulation Based Investigation of High Latency Space Systems Operations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Li, Zu Qun; Crues, Edwin Z.; Bielski, Paul; Moore, Michael</p> <p>2017-01-01</p> <p>This study was the first in a series of planned tests to use physics-based subsystem simulations to investigate the interactions between a spacecraft's crew and a ground-based mission control center for vehicle subsystem operations across long communication delays. The simulation models the life support system of a deep space habitat. It contains models of an environmental control and life support system, an electrical power system, an active thermal control system, and crew metabolic functions. The simulation has three interfaces: 1) a real-time crew interface that can be use to monitor and control the subsystems; 2) a mission control center interface with data transport delays up to 15 minute each way; and 3) a real-time simulation test conductor interface used to insert subsystem malfunctions and observe the interactions between the crew, ground, and simulated vehicle. The study was conducted at the 21st NASA Extreme Environment Mission Operations (NEEMO) mission. The NEEMO crew and ground support team performed a number of relevant deep space mission scenarios that included both nominal activities and activities with system malfunctions. While this initial test sequence was focused on test infrastructure and procedures development, the data collected in the study already indicate that long communication delays have notable impacts on the operation of deep space systems. For future human missions beyond cis-lunar, NASA will need to design systems and support tools to meet these challenges. These will be used to train the crew to handle critical malfunctions on their own, to predict malfunctions, and to assist with vehicle operations. Subsequent more detailed and involved studies will be conducted to continue advancing NASA's understanding of space systems operations across long communications delays.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22654513-general-relativistic-large-eddy-simulations-binary-neutron-star-mergers','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22654513-general-relativistic-large-eddy-simulations-binary-neutron-star-mergers"><span>General-relativistic Large-eddy Simulations of Binary Neutron Star Mergers</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Radice, David, E-mail: dradice@astro.princeton.edu</p> <p></p> <p>The flow inside remnants of binary neutron star (NS) mergers is expected to be turbulent, because of magnetohydrodynamics instability activated at scales too small to be resolved in simulations. To study the large-scale impact of these instabilities, we develop a new formalism, based on the large-eddy simulation technique, for the modeling of subgrid-scale turbulent transport in general relativity. We apply it, for the first time, to the simulation of the late-inspiral and merger of two NSs. We find that turbulence can significantly affect the structure and survival time of the merger remnant, as well as its gravitational-wave (GW) and neutrinomore » emissions. The former will be relevant for GW observation of merging NSs. The latter will affect the composition of the outflow driven by the merger and might influence its nucleosynthetic yields. The accretion rate after black hole formation is also affected. Nevertheless, we find that, for the most likely values of the turbulence mixing efficiency, these effects are relatively small and the GW signal will be affected only weakly by the turbulence. Thus, our simulations provide a first validation of all existing post-merger GW models.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2000APS..MARZ14012Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2000APS..MARZ14012Y"><span>Hyper-Parallel Tempering Monte Carlo Method and It's Applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yan, Qiliang; de Pablo, Juan</p> <p>2000-03-01</p> <p>A new generalized hyper-parallel tempering Monte Carlo molecular simulation method is presented for study of complex fluids. The method is particularly useful for simulation of many-molecule complex systems, where rough energy landscapes and inherently long characteristic relaxation times can pose formidable obstacles to effective sampling of relevant regions of configuration space. The method combines several key elements from expanded ensemble formalisms, parallel-tempering, open ensemble simulations, configurational bias techniques, and histogram reweighting analysis of results. It is found to accelerate significantly the diffusion of a complex system through phase-space. In this presentation, we demonstrate the effectiveness of the new method by implementing it in grand canonical ensembles for a Lennard-Jones fluid, for the restricted primitive model of electrolyte solutions (RPM), and for polymer solutions and blends. Our results indicate that the new algorithm is capable of overcoming the large free energy barriers associated with phase transitions, thereby greatly facilitating the simulation of coexistence properties. It is also shown that the method can be orders of magnitude more efficient than previously available techniques. More importantly, the method is relatively simple and can be incorporated into existing simulation codes with minor efforts.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27975243','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27975243"><span>Molecular Dynamics Simulation of Tau Peptides for the Investigation of Conformational Changes Induced by Specific Phosphorylation Patterns.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Gandhi, Neha S; Kukic, Predrag; Lippens, Guy; Mancera, Ricardo L</p> <p>2017-01-01</p> <p>The Tau protein plays an important role due to its biomolecular interactions in neurodegenerative diseases. The lack of stable structure and various posttranslational modifications such as phosphorylation at various sites in the Tau protein pose a challenge for many experimental methods that are traditionally used to study protein folding and aggregation. Atomistic molecular dynamics (MD) simulations can help around deciphering relationship between phosphorylation and various intermediate and stable conformations of the Tau protein which occur on longer timescales. This chapter outlines protocols for the preparation, execution, and analysis of all-atom MD simulations of a 21-amino acid-long phosphorylated Tau peptide with the aim of generating biologically relevant structural and dynamic information. The simulations are done in explicit solvent and starting from nearly extended configurations of the peptide. The scaled MD method implemented in AMBER14 was chosen to achieve enhanced conformational sampling in addition to a conventional MD approach, thereby allowing the characterization of folding for such an intrinsically disordered peptide at 293 K. Emphasis is placed on the analysis of the simulation trajectories to establish correlations with NMR data (i.e., chemical shifts and NOEs). Finally, in-depth discussions are provided for commonly encountered problems.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28796126','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28796126"><span>Physiological pattern changes in response to a simulated competition in elite women artistic gymnasts.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Isacco, Laurie; Ennequin, Gaël; Cassirame, Johan; Tordi, Nicolas</p> <p>2017-08-04</p> <p>The outstanding progress in women's artistic gymnastics in recent decades has led to increased technical and physiological demands. The aim of this study was to investigate i) the physiological demands of elite French gymnasts and ii) the impact of a competitive routine on physiological pattern changes. Fourteen French elite female gymnasts performed anthropometric measurements, physical fitness tests and a simulated four event competition. Heart rate (HR) was continuously recorded throughout the duration of the simulated competition. Blood lactate concentrations were assessed at rest, before the beginning and at 2, 4 and 10 min after completion of the routine on each apparatus. Isometric handgrip strength and anaerobic endurance and power were assessed during the simulated competition. The highest values of HR and blood lactate concentrations were reached during the floor and uneven bar exercises. Blood lactate concentrations and HR kinetics were apparatus dependent and values remained significantly increased at 10 min of recovery compared with resting data. Anaerobic endurance and power decreased significantly as the competition progressed (P <0.001). The present results show specifically cardiorespiratory and anaerobic apparatus- dependent responses throughout a simulated competition. Recovery approaches appear relevant to prevent and/or minimize fatigue and optimize performance in these athletes.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li class="active"><span>25</span></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_25 --> <div class="footer-extlink text-muted" style="margin-bottom:1rem; text-align:center;">Some links on this page may take you to non-federal websites. Their policies may differ from this site.</div> </div><!-- container --> <a id="backToTop" href="#top"> Top </a> <footer> <nav> <ul class="links"> <li><a href="/sitemap.html">Site Map</a></li> <li><a href="/website-policies.html">Website Policies</a></li> <li><a href="https://www.energy.gov/vulnerability-disclosure-policy" target="_blank">Vulnerability Disclosure Program</a></li> <li><a href="/contact.html">Contact Us</a></li> </ul> </nav> </footer> <script type="text/javascript"><!-- // var lastDiv = ""; function showDiv(divName) { // hide last div if (lastDiv) { document.getElementById(lastDiv).className = "hiddenDiv"; } //if value of the box is not nothing and an object with that name exists, then change the class if (divName && document.getElementById(divName)) { document.getElementById(divName).className = "visibleDiv"; lastDiv = divName; } } //--> </script> <script> /** * Function that tracks a click on an outbound link in Google Analytics. * This function takes a valid URL string as an argument, and uses that URL string * as the event label. */ var trackOutboundLink = function(url,collectionCode) { try { h = window.open(url); setTimeout(function() { ga('send', 'event', 'topic-page-click-through', collectionCode, url); }, 1000); } catch(err){} }; </script> <!-- Google Analytics --> <script> (function(i,s,o,g,r,a,m){i['GoogleAnalyticsObject']=r;i[r]=i[r]||function(){ (i[r].q=i[r].q||[]).push(arguments)},i[r].l=1*new Date();a=s.createElement(o), m=s.getElementsByTagName(o)[0];a.async=1;a.src=g;m.parentNode.insertBefore(a,m) })(window,document,'script','//www.google-analytics.com/analytics.js','ga'); ga('create', 'UA-1122789-34', 'auto'); ga('send', 'pageview'); </script> <!-- End Google Analytics --> <script> showDiv('page_1') </script> </body> </html>