Molecular dynamics modeling and simulation of void growth in two dimensions

NASA Astrophysics Data System (ADS)

Chang, H.-J.; Segurado, J.; Rodríguez de la Fuente, O.; Pabón, B. M.; LLorca, J.

2013-10-01

The mechanisms of growth of a circular void by plastic deformation were studied by means of molecular dynamics in two dimensions (2D). While previous molecular dynamics (MD) simulations in three dimensions (3D) have been limited to small voids (up to ≈10 nm in radius), this strategy allows us to study the behavior of voids of up to 100 nm in radius. MD simulations showed that plastic deformation was triggered by the nucleation of dislocations at the atomic steps of the void surface in the whole range of void sizes studied. The yield stress, defined as stress necessary to nucleate stable dislocations, decreased with temperature, but the void growth rate was not very sensitive to this parameter. Simulations under uniaxial tension, uniaxial deformation and biaxial deformation showed that the void growth rate increased very rapidly with multiaxiality but it did not depend on the initial void radius. These results were compared with previous 3D MD and 2D dislocation dynamics simulations to establish a map of mechanisms and size effects for plastic void growth in crystalline solids.

Dynamic Modulation of Human Motor Activity When Observing Actions

PubMed Central

Press, Clare; Cook, Jennifer; Blakemore, Sarah-Jayne; Kilner, James

2012-01-01

Previous studies have demonstrated that when we observe somebody else executing an action many areas of our own motor systems are active. It has been argued that these motor activations are evidence that we motorically simulate observed actions; this motoric simulation may support various functions such as imitation and action understanding. However, whether motoric simulation is indeed the function of motor activations during action observation is controversial, due to inconsistency in findings. Previous studies have demonstrated dynamic modulations in motor activity when we execute actions. Therefore, if we do motorically simulate observed actions, our motor systems should also be modulated dynamically, and in a corresponding fashion, during action observation. Using magnetoencephalography, we recorded the cortical activity of human participants while they observed actions performed by another person. Here, we show that activity in the human motor system is indeed modulated dynamically during action observation. The finding that activity in the motor system is modulated dynamically when observing actions can explain why studies of action observation using functional magnetic resonance imaging have reported conflicting results, and is consistent with the hypothesis that we motorically simulate observed actions. PMID:21414901

Jurassic Diabase from Leesburg, VA: A Proposed Lunar Simulant

NASA Technical Reports Server (NTRS)

Taylor, Patrick T.; Lowman, P. D.; Nagihara, Seiichi; Milam, M. B.; Nakamura, Yosio

2008-01-01

A study of future lunar seismology and heat flow is being carried out as part of the NASA Lunar Sortie Science Program. This study will include new lunar drilling techniques, using a regolith simulant, for emplacement of instruments. Previous lunar simulants, such as JSC-1 and MLS-1, were not available when the study began, so a local simulant source was required. Diabase from a quarry at Leeseburg, Virginia, was obtained from the Luck Stone Corporation. We report here initial results of a petrographic examination of this rock, GSC-1 henceforth.

Jurassic Diabase from Leesburg, VA: A Proposed Lunar Simulant

NASA Technical Reports Server (NTRS)

Taylor, P. T.; Lowman, P. D.; Nagihara, Seiichi; Milam, M. B.; Nakamura, Yosio

2008-01-01

A study of future lunar seismology and heat flow is being carried out as part of the NASA Lunar Sortie Science Program [1].This study will include new lunar drilling techniques, using a regolith simulant, for emplacement of instruments. Previous lunar simulants, such as JSC-I and MLS-l, were not available when the study began, so a local simulant source was required. Diabase from a quarry at Leesburg, Virginia, was obtained from the Luck Stone Corporation. We report here initial results of a petrographic examination of this rock, GSC-1 henceforth.

Development of interatomic potential of Ge(1- x - y )Si x Sn y ternary alloy semiconductors for classical lattice dynamics simulation

NASA Astrophysics Data System (ADS)

Tomita, Motohiro; Ogasawara, Masataka; Terada, Takuya; Watanabe, Takanobu

2018-04-01

We provide the parameters of Stillinger-Weber potentials for GeSiSn ternary mixed systems. These parameters can be used in molecular dynamics (MD) simulations to reproduce phonon properties and thermal conductivities. The phonon dispersion relation is derived from the dynamical structure factor, which is calculated by the space-time Fourier transform of atomic trajectories in an MD simulation. The phonon properties and thermal conductivities of GeSiSn ternary crystals calculated using these parameters mostly reproduced both the findings of previous experiments and earlier calculations made using MD simulations. The atomic composition dependence of these properties in GeSiSn ternary crystals obtained by previous studies (both experimental and theoretical) and the calculated data were almost exactly reproduced by our proposed parameters. Moreover, the results of the MD simulation agree with the previous calculations made using a time-independent phonon Boltzmann transport equation with complicated scattering mechanisms. These scattering mechanisms are very important in complicated nanostructures, as they allow the heat-transfer properties to be more accurately calculated by MD simulations. This work enables us to predict the phonon- and heat-related properties of bulk group IV alloys, especially ternary alloys.

Application of visualization and simulation program to improve work zone safety and mobility.

DOT National Transportation Integrated Search

2010-01-01

A previous study sponsored by the Smart Work Zone Deployment Initiative, Feasibility of Visualization and Simulation Applications to Improve Work Zone Safety and Mobility, demonstrated the feasibility of combining readily available, inexpensive...

Application of visualization and simulation program to improve work zone safety and mobility.

DOT National Transportation Integrated Search

2010-01-01

"A previous study sponsored by the Smart Work Zone Deployment Initiative, Feasibility of Visualization and Simulation Applications to Improve Work Zone Safety and Mobility, demonstrated the feasibility of combining readily available, inexpensiv...

Refinement of Objective Motion Cueing Criteria Investigation Based on Three Flight Tasks

NASA Technical Reports Server (NTRS)

Zaal, Petrus M. T.; Schroeder, Jeffery A.; Chung, William W.

2017-01-01

The objective of this paper is to refine objective motion cueing criteria for commercial transport simulators based on pilots' performance in three flying tasks. Actuator hardware and software algorithms determine motion cues. Today, during a simulator qualification, engineers objectively evaluate only the hardware. Pilot inspectors subjectively assess the overall motion cueing system (i.e., hardware plus software); however, it is acknowledged that pinpointing any deficiencies that might arise to either hardware or software is challenging. ICAO 9625 has an Objective Motion Cueing Test (OMCT), which is now a required test in the FAA's part 60 regulations for new devices, evaluating the software and hardware together; however, it lacks accompanying fidelity criteria. Hosman has documented OMCT results for a statistical sample of eight simulators which is useful, but having validated criteria would be an improvement. In a previous experiment, we developed initial objective motion cueing criteria that this paper is trying to refine. Sinacori suggested simple criteria which are in reasonable agreement with much of the literature. These criteria often necessitate motion displacements greater than most training simulators can provide. While some of the previous work has used transport aircraft in their studies, the majority used fighter aircraft or helicopters. Those that used transport aircraft considered degraded flight characteristics. As a result, earlier criteria lean more towards being sufficient, rather than necessary, criteria for typical transport aircraft training applications. Considering the prevalence of 60-inch, six-legged hexapod training simulators, a relevant question is "what are the necessary criteria that can be used with the ICAO 9625 diagnostic?" This study adds to the literature as follows. First, it examines well-behaved transport aircraft characteristics, but in three challenging tasks. The tasks are equivalent to the ones used in our previous experiment, allowing us to directly compare the results and add to the previous data. Second, it uses the Vertical Motion Simulator (VMS), the world's largest vertical displacement simulator. This allows inclusion of relatively large motion conditions, much larger than a typical training simulator can provide. Six new motion configurations were used that explore the motion responses between the initial objective motion cueing boundaries found in a previous experiment and what current hexapod simulators typically provide. Finally, a sufficiently large pilot pool added statistical reliability to the results.

Comparing the Cost-Effectiveness of Simulation Modalities: A Case Study of Peripheral Intravenous Catheterization Training

ERIC Educational Resources Information Center

Isaranuwatchai, Wanrudee; Brydges, Ryan; Carnahan, Heather; Backstein, David; Dubrowski, Adam

2014-01-01

While the ultimate goal of simulation training is to enhance learning, cost-effectiveness is a critical factor. Research that compares simulation training in terms of educational- and cost-effectiveness will lead to better-informed curricular decisions. Using previously published data we conducted a cost-effectiveness analysis of three…

The Role of Simulation Case Studies in Enterprise Education

ERIC Educational Resources Information Center

Tunstall, Richard; Lynch, Martin

2010-01-01

Purpose: This paper aims to explore the role of electronic simulation case studies in enterprise education, their effectiveness, and their relationship to traditional forms of classroom-based approaches to experiential learning. The paper seeks to build on previous work within the field of enterprise and management education, specifically in…

Motor Execution Affects Action Prediction

ERIC Educational Resources Information Center

Springer, Anne; Brandstadter, Simone; Liepelt, Roman; Birngruber, Teresa; Giese, Martin; Mechsner, Franz; Prinz, Wolfgang

2011-01-01

Previous studies provided evidence of the claim that the prediction of occluded action involves real-time simulation. We report two experiments that aimed to study how real-time simulation is affected by simultaneous action execution under conditions of full, partial or no overlap between observed and executed actions. This overlap was analysed by…

Secondary metabolism in simulated microgravity: beta-lactam production by Streptomyces clavuligerus

NASA Technical Reports Server (NTRS)

Fang, A.; Pierson, D. L.; Mishra, S. K.; Koenig, D. W.; Demain, A. L.

1997-01-01

Rotating bioreactors designed at NASA's Johnson Space Center were used to simulate a microgravity environment in which to study secondary metabolism. The system examined was beta-lactam antibiotic production by Streptomyces clavuligerus. Both growth and beta-lactam production occurred in simulated microgravity. Stimulatory effects of phosphate and L-lysine, previously detected in normal gravity, also occurred in simulated microgravity. The degree of beta-lactam antibiotic production was markedly inhibited by simulated microgravity.

Simulation of differential die-away instrument’s response to asymmetrically burned spent nuclear fuel

DOE PAGES

Martinik, Tomas; Henzl, Vladimir; Grape, Sophie; ...

2015-03-04

Here, previous simulation studies of Differential Die–Away (DDA) instrument’s response to active interrogation of spent nuclear fuel from a pressurized water reactor (PWR) yielded promising results in terms of its capability to accurately measure or estimate basic spent fuel assembly (SFA) characteristics, such as multiplication, initial enrichment (IE) and burn-up (BU) as well as the total plutonium content. These studies were however performed only for a subset of idealized SFAs with a symmetric BU with respect to its longitudinal axis. Therefore, to complement the previous results, additional simulations have been performed of the DDA instrument’s response to interrogation of asymmetricallymore » burned spent nuclear fuel in order to determine whether detailed assay of SFAs from all 4 sides will be necessary in real life applications or whether a cost and time saving single sided assay could be used to achieve results of similar quality as previously reported in case of symmetrically burned SFAs.« less

Simulation of differential die-away instrument’s response to asymmetrically burned spent nuclear fuel

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

Martinik, Tomas; Henzl, Vladimir; Grape, Sophie

Here, previous simulation studies of Differential Die–Away (DDA) instrument’s response to active interrogation of spent nuclear fuel from a pressurized water reactor (PWR) yielded promising results in terms of its capability to accurately measure or estimate basic spent fuel assembly (SFA) characteristics, such as multiplication, initial enrichment (IE) and burn-up (BU) as well as the total plutonium content. These studies were however performed only for a subset of idealized SFAs with a symmetric BU with respect to its longitudinal axis. Therefore, to complement the previous results, additional simulations have been performed of the DDA instrument’s response to interrogation of asymmetricallymore » burned spent nuclear fuel in order to determine whether detailed assay of SFAs from all 4 sides will be necessary in real life applications or whether a cost and time saving single sided assay could be used to achieve results of similar quality as previously reported in case of symmetrically burned SFAs.« less

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.

The impact of brain size on pilot performance varies with aviation training and years of education

PubMed Central

Adamson, Maheen M.; Samarina, Viktoriya; Xiangyan, Xu; Huynh, Virginia; Kennedy, Quinn; Weiner, Michael; Yesavage, Jerome; Taylor, Joy L.

2010-01-01

Previous studies have consistently reported age-related changes in cognitive abilities and brain structure. Previous studies also suggest compensatory roles for specialized training, skill, and years of education in the age-related decline of cognitive function. The Stanford/VA Aviation Study examines the influence of specialized training and skill level (expertise) on age-related changes in cognition and brain structure. This preliminary report examines the effect of aviation expertise, years of education, age, and brain size on flight simulator performance in pilots aged 45–68 years. Fifty-one pilots were studied with structural magnetic resonance imaging, flight simulator, and processing speed tasks. There were significant main effects of age (p < .01) and expertise (p < .01), but not of whole brain size (p > .1) or education (p > .1), on flight simulator performance. However, even though age and brain size were correlated (r = −0.41), age differences in flight simulator performance were not explained by brain size. Both aviation expertise and education were involved in an interaction with brain size in predicting flight simulator performance (p < .05). These results point to the importance of examining measures of expertise and their interactions to assess age-related cognitive changes. PMID:20193103

Connections between residence time distributions and watershed characteristics across the continental US

NASA Astrophysics Data System (ADS)

Condon, L. E.; Maxwell, R. M.; Kollet, S. J.; Maher, K.; Haggerty, R.; Forrester, M. M.

2016-12-01

Although previous studies have demonstrated fractal residence time distributions in small watersheds, analyzing residence time scaling over large spatial areas is difficult with existing observational methods. For this study we use a fully integrated groundwater surface water simulation combined with Lagrangian particle tracking to evaluate connections between residence time distributions and watershed characteristics such as geology, topography and climate. Our simulation spans more than six million square kilometers of the continental US, encompassing a broad range of watershed sizes and physiographic settings. Simulated results demonstrate power law residence time distributions with peak age rages from 1.5 to 10.5 years. These ranges agree well with previous observational work and demonstrate the feasibility of using integrated models to simulate residence times. Comparing behavior between eight major watersheds, we show spatial variability in both the peak and the variance of the residence time distributions that can be related to model inputs. Peak age is well correlated with basin averaged hydraulic conductivity and the semi-variance corresponds to aridity. While power law age distributions have previously been attributed to fractal topography, these results illustrate the importance of subsurface characteristics and macro climate as additional controls on groundwater configuration and residence times.

STUDY OF THE FUNDAMENTALS OF MERCURY SPECIATION IN COAL-FIRED BOILERS UNDER SIMULATED POST-COMBUSTION CONDITIONS

EPA Science Inventory

The report discusses a continuation of the study on mercury speciation initiated in the fiscal year 1997 (FY97). The previous study found that cupric oxide (CuO) and ferric oxide (Fe2O3) in the presence of hydrogen chloride (HCl) promote elemental mercury oxidation in simulated f...

ViscoSim Earthquake Simulator

USGS Publications Warehouse

Pollitz, Fred

2012-01-01

Synthetic seismicity simulations have been explored by the Southern California Earthquake Center (SCEC) Earthquake Simulators Group in order to guide long‐term forecasting efforts related to the Unified California Earthquake Rupture Forecast (Tullis et al., 2012a). In this study I describe the viscoelastic earthquake simulator (ViscoSim) of Pollitz, 2009. Recapitulating to a large extent material previously presented by Pollitz (2009, 2011) I describe its implementation of synthetic ruptures and how it differs from other simulators being used by the group.

Guidance Provided by Teacher and Simulation for Inquiry-Based Learning: A Case Study

ERIC Educational Resources Information Center

Lehtinen, Antti; Viiri, Jouni

2017-01-01

Current research indicates that inquiry-based learning should be guided in order to achieve optimal learning outcomes. The need for guidance is even greater when simulations are used because of their high information content and the difficulty of extracting information from them. Previous research on guidance for learning with simulations has…

Collaborative Learning with Screen-Based Simulation in Health Care Education: An Empirical Study of Collaborative Patterns and Proficiency Development

ERIC Educational Resources Information Center

Hall, L. O.; Soderstrom, T.; Ahlqvist, J.; Nilsson, T.

2011-01-01

This article is about collaborative learning with educational computer-assisted simulation (ECAS) in health care education. Previous research on training with a radiological virtual reality simulator has indicated positive effects on learning when compared to a more conventional alternative. Drawing upon the field of Computer-Supported…

Comparing Student Success and Understanding in Introductory Statistics under Consensus and Simulation-Based Curricula

ERIC Educational Resources Information Center

Hldreth, Laura A.; Robison-Cox, Jim; Schmidt, Jade

2018-01-01

This study examines the transferability of results from previous studies of simulation-based curriculum in introductory statistics using data from 3,500 students enrolled in an introductory statistics course at Montana State University from fall 2013 through spring 2016. During this time, four different curricula, a traditional curriculum and…

Combined PEST and Trial-Error approach to improve APEX calibration

USDA-ARS?s Scientific Manuscript database

The Agricultural Policy Environmental eXtender (APEX), a physically-based hydrologic model that simulates management impacts on the environment for small watersheds, requires improved understanding of the input parameters for improved simulations. However, most previously published studies used the ...

Statistical evaluation of rainfall-simulator and erosion testing procedure : final report.

DOT National Transportation Integrated Search

1977-01-01

The specific aims of this study were (1) to supply documentation of statistical repeatability and precision of the rainfall-simulator and to document the statistical repeatabiity of the soil-loss data when using the previously recommended tentative l...

Absolute protein-protein association rate constants from flexible, coarse-grained Brownian dynamics simulations: the role of intermolecular hydrodynamic interactions in barnase-barstar association.

PubMed

Frembgen-Kesner, Tamara; Elcock, Adrian H

2010-11-03

Theory and computation have long been used to rationalize the experimental association rate constants of protein-protein complexes, and Brownian dynamics (BD) simulations, in particular, have been successful in reproducing the relative rate constants of wild-type and mutant protein pairs. Missing from previous BD studies of association kinetics, however, has been the description of hydrodynamic interactions (HIs) between, and within, the diffusing proteins. Here we address this issue by rigorously including HIs in BD simulations of the barnase-barstar association reaction. We first show that even very simplified representations of the proteins--involving approximately one pseudoatom for every three residues in the protein--can provide excellent reproduction of the absolute association rate constants of wild-type and mutant protein pairs. We then show that simulations that include intermolecular HIs also produce excellent estimates of association rate constants, but, for a given reaction criterion, yield values that are decreased by ∼35-80% relative to those obtained in the absence of intermolecular HIs. The neglect of intermolecular HIs in previous BD simulation studies, therefore, is likely to have contributed to the somewhat overestimated absolute rate constants previously obtained. Consequently, intermolecular HIs could be an important component to include in accurate modeling of the kinetics of macromolecular association events. Copyright © 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Evolution of mechanical response of sodium montmorillonite interlayer with increasing hydration by molecular dynamics.

PubMed

Schmidt, Steven R; Katti, Dinesh R; Ghosh, Pijush; Katti, Kalpana S

2005-08-16

The mechanical response of the interlayer of hydrated montmorillonite was evaluated using steered molecular dynamics. An atomic model of the sodium montmorillonite was previously constructed. In the current study, the interlayer of the model was hydrated with multiple layers of water. Using steered molecular dynamics, external forces were applied to individual atoms of the clay surface, and the response of the model was studied. The displacement versus applied stress and stress versus strain relationships of various parts of the interlayer were studied. The paper describes the construction of the model, the simulation procedure, and results of the simulations. Some results of the previous work are further interpreted in the light of the current research. The simulations provide quantitative stress deformation relationships as well as an insight into the molecular interactions taking place between the clay surface and interlayer water and cations.

On the Importance of Reliable Covariate Measurement in Selection Bias Adjustments Using Propensity Scores

ERIC Educational Resources Information Center

Steiner, Peter M.; Cook, Thomas D.; Shadish, William R.

2011-01-01

The effect of unreliability of measurement on propensity score (PS) adjusted treatment effects has not been previously studied. The authors report on a study simulating different degrees of unreliability in the multiple covariates that were used to estimate the PS. The simulation uses the same data as two prior studies. Shadish, Clark, and Steiner…

Grid Sensitivity Study for Slat Noise Simulations

NASA Technical Reports Server (NTRS)

Lockard, David P.; Choudhari, Meelan M.; Buning, Pieter G.

2014-01-01

The slat noise from the 30P/30N high-lift system is being investigated through computational fluid dynamics simulations in conjunction with a Ffowcs Williams-Hawkings acoustics solver. Many previous simulations have been performed for the configuration, and the case was introduced as a new category for the Second AIAA workshop on Benchmark problems for Airframe Noise Configurations (BANC-II). However, the cost of the simulations has restricted the study of grid resolution effects to a baseline grid and coarser meshes. In the present study, two different approaches are being used to investigate the effect of finer resolution of near-field unsteady structures. First, a standard grid refinement by a factor of two is used, and the calculations are performed by using the same CFL3D solver employed in the majority of the previous simulations. Second, the OVERFLOW code is applied to the baseline grid, but with a 5th-order upwind spatial discretization as compared with the second-order discretization used in the CFL3D simulations. In general, the fine grid CFL3D simulation and OVERFLOW calculation are in very good agreement and exhibit the lowest levels of both surface pressure fluctuations and radiated noise. Although the smaller scales resolved by these simulations increase the velocity fluctuation levels, they appear to mitigate the influence of the larger scales on the surface pressure. These new simulations are used to investigate the influence of the grid on unsteady high-lift simulations and to gain a better understanding of the physics responsible for the noise generation and radiation.

Simulating urban land cover changes at sub-pixel level in a coastal city

NASA Astrophysics Data System (ADS)

Zhao, Xiaofeng; Deng, Lei; Feng, Huihui; Zhao, Yanchuang

2014-10-01

The simulation of urban expansion or land cover changes is a major theme in both geographic information science and landscape ecology. Yet till now, almost all of previous studies were based on grid computations at pixel level. With the prevalence of spectral mixture analysis in urban land cover research, the simulation of urban land cover at sub-pixel level is being put into agenda. This study provided a new approach of land cover simulation at sub-pixel level. Landsat TM/ETM+ images of Xiamen city, China on both the January of 2002 and 2007 were used to acquire land cover data through supervised classification. Then the two classified land cover data were utilized to extract the transformation rule between 2002 and 2007 using logistic regression. The transformation possibility of each land cover type in a certain pixel was taken as its percent in the same pixel after normalization. And cellular automata (CA) based grid computation was carried out to acquire simulated land cover on 2007. The simulated 2007 sub-pixel land cover was testified with a validated sub-pixel land cover achieved by spectral mixture analysis in our previous studies on the same date. And finally the sub-pixel land cover of 2017 was simulated for urban planning and management. The results showed that our method is useful in land cover simulation at sub-pixel level. Although the simulation accuracy is not quite satisfactory for all the land cover types, it provides an important idea and a good start in the CA-based urban land cover simulation.

Effect of computer game playing on baseline laparoscopic simulator skills.

PubMed

Halvorsen, Fredrik H; Cvancarova, Milada; Fosse, Erik; Mjåland, Odd

2013-08-01

Studies examining the possible association between computer game playing and laparoscopic performance in general have yielded conflicting results and neither has a relationship between computer game playing and baseline performance on laparoscopic simulators been established. The aim of this study was to examine the possible association between previous and present computer game playing and baseline performance on a virtual reality laparoscopic performance in a sample of potential future medical students. The participating students completed a questionnaire covering the weekly amount and type of computer game playing activity during the previous year and 3 years ago. They then performed 2 repetitions of 2 tasks ("gallbladder dissection" and "traverse tube") on a virtual reality laparoscopic simulator. Performance on the simulator were then analyzed for association to their computer game experience. Local high school, Norway. Forty-eight students from 2 high school classes volunteered to participate in the study. No association between prior and present computer game playing and baseline performance was found. The results were similar both for prior and present action game playing and prior and present computer game playing in general. Our results indicate that prior and present computer game playing may not affect baseline performance in a virtual reality simulator.

Does "Reacting to the Past" Increase Student Engagement? An Empirical Evaluation of the Use of Historical Simulations in Teaching Political Theory

ERIC Educational Resources Information Center

Weidenfeld, Matthew C.; Fernandez, Kenneth E.

2017-01-01

Within the teaching of political theory, an assumption is emerging that "Reacting to the Past" simulations are an effective tool because they encourage greater student engagement with ideas and history. While previous studies have assessed the advantages of simulations in other political science subfields or offered anecdotal evidence of…

Fluid-Structure Interaction in Composite Structures

DTIC Science & Technology

2014-03-01

polymer composite structures. Some previous experimental observations were confirmed using the results from the computer simulations , which also...computer simulations , which also enhanced understanding the effect of FSI on dynamic responses of composite structures. vi THIS PAGE INTENTIONALLY...forces) are applied. A great amount of research has been made using the FEM to study and simulate the cases when the structures are surrounded by

Coupling fast fluid dynamics and multizone airflow models in Modelica Buildings library to simulate the dynamics of HVAC systems

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

Tian, Wei; Sevilla, Thomas Alonso; Zuo, Wangda

Historically, multizone models are widely used in building airflow and energy performance simulations due to their fast computing speed. However, multizone models assume that the air in a room is well mixed, consequently limiting their application. In specific rooms where this assumption fails, the use of computational fluid dynamics (CFD) models may be an alternative option. Previous research has mainly focused on coupling CFD models and multizone models to study airflow in large spaces. While significant, most of these analyses did not consider the coupled simulation of the building airflow with the building's Heating, Ventilation, and Air-Conditioning (HVAC) systems. Thismore » paper tries to fill the gap by integrating the models for HVAC systems with coupled multizone and CFD simulations for airflows, using the Modelica simul ation platform. To improve the computational efficiency, we incorporated a simplified CFD model named fast fluid dynamics (FFD). We first introduce the data synchronization strategy and implementation in Modelica. Then, we verify the implementation using two case studies involving an isothermal and a non-isothermal flow by comparing model simulations to experiment data. Afterward, we study another three cases that are deemed more realistic. This is done by attaching a variable air volume (VAV) terminal box and a VAV system to previous flows to assess the capability of the models in studying the dynamic control of HVAC systems. Finally, we discuss further research needs on the coupled simulation using the models.« less

Debriefing after High-Fidelity Simulation and Knowledge Retention: A Quasi-Experimental Study

ERIC Educational Resources Information Center

Olson, Susan L.

2013-01-01

High-fidelity simulation (HFS) use in nursing education has been a frequent research topic in recent years. Previous research included studies on the use of HFS with nursing students, focusing on their feelings of self-confidence and anxiety. However, research focused specifically on the debriefing portion of HFS was limited. This quantitative,…

Gender Differences in Mental Simulation during Sentence and Word Processing

ERIC Educational Resources Information Center

Wassenburg, Stephanie I.; de Koning, Björn B.; de Vries, Meinou H.; Boonstra, A. Marije; van der Schoot, Menno

2017-01-01

Text comprehension requires readers to mentally simulate the described situation by reactivating previously acquired sensory and motor information from (episodic) memory. Drawing upon research demonstrating gender differences, favouring girls, in tasks involving episodic memory retrieval, the present study explores whether gender differences exist…

The use of a driving simulator to determine how time pressures impact driver aggressiveness.

DOT National Transportation Integrated Search

2017-06-01

Speeding greatly contributes to traffic safety with approximately a third of fatal crashes in the United States being speeding-related. Previous research has identified being late as a primary cause of speeding. In this driving simulator study, a vir...

A mathematical model of transport and regional uptake of radioactive gases in the human respiratory system

NASA Astrophysics Data System (ADS)

Baek, Inseok

The purpose of this research is to describe the development of a mathematical model of diffusion, convection, and lateral transport into the airway wall and alveolar absorption for inhaled radioactive gases in the human conductive and respiratory airways based on a Single Path Trumpet-bell model (SPM). Mathematical simulation models have been used successfully to study transport, absorption into the blood through alveoli, and lung tissue uptake of soluble and nonreactive radioactive gases. Results from such simulations also show clearly that inhaled radioactive gases are absorbed into the lung tissues as well as into the blood through the alveoli. In contrast to previous reports in the literature, the present study found that blood uptake through alveoli is much greater than that calculated previously. Regional depositions in the lung from inhaled radioactive gases are presented as the result of this simulation. The committed effective dose to lung tissue due to submersion in radioactive clouds has been newly defined using the results of this simulation.

The Origin of Systematic Errors in the GCM Simulation of ITCZ Precipitation

NASA Technical Reports Server (NTRS)

Chao, Winston C.; Suarez, M. J.; Bacmeister, J. T.; Chen, B.; Takacs, L. L.

2006-01-01

Previous GCM studies have found that the systematic errors in the GCM simulation of the seasonal mean ITCZ intensity and location could be substantially corrected by adding suitable amount of rain re-evaporation or cumulus momentum transport. However, the reason(s) for these systematic errors and solutions has remained a puzzle. In this work the knowledge gained from previous studies of the ITCZ in an aqua-planet model with zonally uniform SST is applied to solve this puzzle. The solution is supported by further aqua-planet and full model experiments using the latest version of the Goddard Earth Observing System GCM.

Characterizing the role of the hippocampus during episodic simulation and encoding.

PubMed

Thakral, Preston P; Benoit, Roland G; Schacter, Daniel L

2017-12-01

The hippocampus has been consistently associated with episodic simulation (i.e., the mental construction of a possible future episode). In a recent study, we identified an anterior-posterior temporal dissociation within the hippocampus during simulation. Specifically, transient simulation-related activity occurred in relatively posterior portions of the hippocampus and sustained activity occurred in anterior portions. In line with previous theoretical proposals of hippocampal function during simulation, the posterior hippocampal activity was interpreted as reflecting a transient retrieval process for the episodic details necessary to construct an episode. In contrast, the sustained anterior hippocampal activity was interpreted as reflecting the continual recruitment of encoding and/or relational processing associated with a simulation. In the present study, we provide a direct test of these interpretations by conducting a subsequent memory analysis of our previously published data to assess whether successful encoding during episodic simulation is associated with the anterior hippocampus. Analyses revealed a subsequent memory effect (i.e., later remembered > later forgotten simulations) in the anterior hippocampus. The subsequent memory effect was transient and not sustained. Taken together, the current findings provide further support for a component process model of hippocampal function during simulation. That is, unique regions of the hippocampus support dissociable processes during simulation, which include the transient retrieval of episodic information, the sustained binding of such information into a coherent episode, and the transient encoding of that episode for later retrieval. © 2017 Wiley Periodicals, Inc.

Direct simulations of chemically reacting turbulent mixing layers, part 2

NASA Technical Reports Server (NTRS)

Metcalfe, Ralph W.; Mcmurtry, Patrick A.; Jou, Wen-Huei; Riley, James J.; Givi, Peyman

1988-01-01

The results of direct numerical simulations of chemically reacting turbulent mixing layers are presented. This is an extension of earlier work to a more detailed study of previous three dimensional simulations of cold reacting flows plus the development, validation, and use of codes to simulate chemically reacting shear layers with heat release. Additional analysis of earlier simulations showed good agreement with self similarity theory and laboratory data. Simulations with a two dimensional code including the effects of heat release showed that the rate of chemical product formation, the thickness of the mixing layer, and the amount of mass entrained into the layer all decrease with increasing rates of heat release. Subsequent three dimensional simulations showed similar behavior, in agreement with laboratory observations. Baroclinic torques and thermal expansion in the mixing layer were found to produce changes in the flame vortex structure that act to diffuse the pairing vortices, resulting in a net reduction in vorticity. Previously unexplained anomalies observed in the mean velocity profiles of reacting jets and mixing layers were shown to result from vorticity generation by baroclinic torques.

One for All and All for One: Using Multiple Identification Theory Simulations to Build Cooperative Attitudes and Behaviors in a Middle Eastern Conflict Scenario

ERIC Educational Resources Information Center

Williams, Robert Howard; Williams, Alexander Jonathan

2010-01-01

The authors previously developed multiple identification theory (MIT) as a system of simulation game design intended to promote attitude change. The present study further tests MIT's effectiveness. The authors created a game (CULTURE & CREED) via MIT as a complex simulation of Middle Eastern conflict resolution, designed to change attitudes…

Shock compression response of cold-rolled Ni/Al multilayer composites

DOE PAGES

Specht, Paul E.; Weihs, Timothy P.; Thadhani, Naresh N.

2017-01-06

Uniaxial strain, plate-on-plate impact experiments were performed on cold-rolled Ni/Al multilayer composites and the resulting Hugoniot was determined through time-resolved measurements combined with impedance matching. The experimental Hugoniot agreed with that previously predicted by two dimensional (2D) meso-scale calculations. Additional 2D meso-scale simulations were performed using the same computational method as the prior study to reproduce the experimentally measured free surface velocities and stress profiles. Finally, these simulations accurately replicated the experimental profiles, providing additional validation for the previous computational work.

Code Validation Studies of High-Enthalpy Flows

DTIC Science & Technology

2006-12-01

stage of future hypersonic vehicles. The development and design of such vehicles is aided by the use of experimentation and numerical simulation... numerical predictions and experimental measurements. 3. Summary of Previous Work We have studied extensively hypersonic double-cone flows with and in...the experimental measurements and the numerical predictions. When we accounted for that effect in numerical simulations, and also augmented the

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

Romanov, Gennady; /Fermilab

CST Particle Studio combines electromagnetic field simulation, multi-particle tracking, adequate post-processing and advanced probabilistic emission model, which is the most important new capability in multipactor simulation. The emission model includes in simulation the stochastic properties of emission and adds primary electron elastic and inelastic reflection from the surfaces. The simulation of multipactor in coaxial waveguides have been performed to study the effects of the innovations on the multipactor threshold and the range over which multipactor can occur. The results compared with available previous experiments and simulations as well as the technique of MP simulation with CST PS are presented andmore » discussed.« less

Alternating Renewal Process Models for Behavioral Observation: Simulation Methods, Software, and Validity Illustrations

ERIC Educational Resources Information Center

Pustejovsky, James E.; Runyon, Christopher

2014-01-01

Direct observation recording procedures produce reductive summary measurements of an underlying stream of behavior. Previous methodological studies of these recording procedures have employed simulation methods for generating random behavior streams, many of which amount to special cases of a statistical model known as the alternating renewal…

Using Computer Simulations in Chemistry Problem Solving

ERIC Educational Resources Information Center

Avramiotis, Spyridon; Tsaparlis, Georgios

2013-01-01

This study is concerned with the effects of computer simulations of two novel chemistry problems on the problem solving ability of students. A control-experimental group, equalized by pair groups (n[subscript Exp] = n[subscript Ctrl] = 78), research design was used. The students had no previous experience of chemical practical work. Student…

Identifying Secondary-School Students' Difficulties When Reading Visual Representations Displayed in Physics Simulations

ERIC Educational Resources Information Center

López, Víctor; Pintó, Roser

2017-01-01

Computer simulations are often considered effective educational tools, since their visual and communicative power enable students to better understand physical systems and phenomena. However, previous studies have found that when students read visual representations some reading difficulties can arise, especially when these are complex or dynamic…

An Analysis of Simulated Wet Deposition of Mercury from the North American Mercury Model Intercomparison Study

EPA Science Inventory

A previous intercomparison of atmospheric mercury models in North America has been extended to compare simulated and observed wet deposition of mercury. Three regional-scale atmospheric mercury models were tested; CMAQ, REMSAD and TEAM. These models were each employed using thr...

Over-fitting Time Series Models of Air Pollution Health Effects: Smoothing Tends to Bias Non-Null Associations Towards the Null.

EPA Science Inventory

Background: Simulation studies have previously demonstrated that time-series analyses using smoothing splines correctly model null health-air pollution associations. Methods: We repeatedly simulated season, meteorology and air quality for the metropolitan area of Atlanta from cyc...

Using a virtual reality temporal bone simulator to assess otolaryngology trainees.

PubMed

Zirkle, Molly; Roberson, David W; Leuwer, Rudolf; Dubrowski, Adam

2007-02-01

The objective of this study is to determine the feasibility of computerized evaluation of resident performance using hand motion analysis on a virtual reality temporal bone (VR TB) simulator. We hypothesized that both computerized analysis and expert ratings would discriminate the performance of novices from experienced trainees. We also hypothesized that performance on the virtual reality temporal bone simulator (VR TB) would differentiate based on previous drilling experience. The authors conducted a randomized, blind assessment study. Nineteen volunteers from the Otolaryngology-Head and Neck Surgery training program at the University of Toronto drilled both a cadaveric TB and a simulated VR TB. Expert reviewers were asked to assess operative readiness of the trainee based on a blind video review of their performance. Computerized hand motion analysis of each participant's performance was conducted. Expert raters were able to discriminate novices from experienced trainees (P < .05) on cadaveric temporal bones, and there was a trend toward discrimination on VR TB performance. Hand motion analysis showed that experienced trainees had better movement economy than novices (P < .05) on the VR TB. Performance, as measured by hand motion analysis on the VR TB simulator, reflects trainees' previous drilling experience. This study suggests that otolaryngology trainees could accomplish initial temporal bone training on a VR TB simulator, which can provide feedback to the trainee, and may reduce the need for constant faculty supervision and evaluation.

The discovery of the causes of leprosy: A computational analysis

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

Corruble, V.; Ganascia, J.G.

1996-12-31

The role played by the inductive inference has been studied extensively in the field of Scientific Discovery. The work presented here tackles the problem of induction in medical research. The discovery of the causes of leprosy is analyzed and simulated using computational means. An inductive algorithm is proposed, which is successful in simulating some essential steps in the progress of the understanding of the disease. It also allows us to simulate the false reasoning of previous centuries through the introduction of some medical a priori inherited form archaic medicine. Corroborating previous research, this problem illustrates the importance of the socialmore » and cultural environment on the way the inductive inference is performed in medicine.« less

Effects of simulated microgravity on Streptococcus mutans physiology and biofilm structure.

PubMed

Cheng, Xingqun; Xu, Xin; Chen, Jing; Zhou, Xuedong; Cheng, Lei; Li, Mingyun; Li, Jiyao; Wang, Renke; Jia, Wenxiang; Li, Yu-Qing

2014-10-01

Long-term spaceflights will eventually become an inevitable occurrence. Previous studies have indicated that oral infectious diseases, including dental caries, were more prevalent in astronauts due to the effect of microgravity. However, the impact of the space environment, especially the microgravity environment, on the virulence factors of Streptococcus mutans, a major caries-associated bacterium, is yet to be explored. In the present study, we investigated the impact of simulated microgravity on the physiology and biofilm structure of S. mutans. We also explored the dual-species interaction between S. mutans and Streptococcus sanguinis under a simulated microgravity condition. Results indicated that the simulated microgravity condition can enhance the acid tolerance ability, modify the biofilm architecture and extracellular polysaccharide distribution of S. mutans, and increase the proportion of S. mutans within a dual-species biofilm, probably through the regulation of various gene expressions. We hypothesize that the enhanced competitiveness of S. mutans under simulated microgravity may cause a multispecies micro-ecological imbalance, which would result in the initiation of dental caries. Our current findings are consistent with previous studies, which revealed a higher astronaut-associated incidence of caries. Further research is required to explore the detailed mechanisms. © 2014 Federation of European Microbiological Societies. Published by John Wiley & Sons Ltd. All rights reserved.

Numerical Simulation of the Effect of 3D Needle Movement on Cavitation and Spray Formation in a Diesel Injector

NASA Astrophysics Data System (ADS)

Mandumpala Devassy, B.; Edelbauer, W.; Greif, D.

2015-12-01

Cavitation and its effect on spray formation and its dispersion play a crucial role in proper engine combustion and controlled emission. This study focuses on these effects in a typical common rail 6-hole diesel injector accounting for 3D needle movement and flow compressibility effects. Coupled numerical simulations using 1D and 3D CFD codes are used for this investigation. Previous studies in this direction have already presented a detailed structure of the adopted methodology. Compared to the previous analysis, the present study investigates the effect of 3D needle movement and cavitation on the spray formation for pilot and main injection events for a typical diesel engine operating point. The present setup performs a 3D compressible multiphase simulation coupled with a standalone 1D high pressure flow simulation. The simulation proceeds by the mutual communication between 1D and 3D solvers. In this work a typical common rail injector with a mini-sac nozzle is studied. The lateral and radial movement of the needle and its effect on the cavitation generation and the subsequent spray penetration are analyzed. The result indicates the effect of compressibility of the liquid on damping the needle forces, and also the difference in the spray penetration levels due to the asymmetrical flow field. Therefore, this work intends to provide an efficient and user-friendly engineering tool for simulating a complete fuel injector including spray propagation.

Testing the Use of Implicit Solvent in the Molecular Dynamics Modelling of DNA Flexibility

NASA Astrophysics Data System (ADS)

Mitchell, J.; Harris, S.

DNA flexibility controls packaging, looping and in some cases sequence specific protein binding. Molecular dynamics simulations carried out with a computationally efficient implicit solvent model are potentially a powerful tool for studying larger DNA molecules than can be currently simulated when water and counterions are represented explicitly. In this work we compare DNA flexibility at the base pair step level modelled using an implicit solvent model to that previously determined from explicit solvent simulations and database analysis. Although much of the sequence dependent behaviour is preserved in implicit solvent, the DNA is considerably more flexible when the approximate model is used. In addition we test the ability of the implicit solvent to model stress induced DNA disruptions by simulating a series of DNA minicircle topoisomers which vary in size and superhelical density. When compared with previously run explicit solvent simulations, we find that while the levels of DNA denaturation are similar using both computational methodologies, the specific structural form of the disruptions is different.

Hydrology and numerical simulation of groundwater movement and heat transport in Snake Valley and surrounding areas, Juab, Miller, and Beaver Counties, Utah, and White Pine and Lincoln Counties, Nevada

USGS Publications Warehouse

Masbruch, Melissa D.; Gardner, Philip M.; Brooks, Lynette E.

2014-01-01

Snake Valley and surrounding areas, along the Utah-Nevada state border, are part of the Great Basin carbonate and alluvial aquifer system. The groundwater system in the study area consists of water in unconsolidated deposits in basins and water in consolidated rock underlying the basins and in the adjacent mountain blocks. Most recharge occurs from precipitation on the mountain blocks and most discharge occurs from the lower altitude basin-fill deposits mainly as evapotranspiration, springflow, and well withdrawals.The Snake Valley area regional groundwater system was simulated using a three-dimensional model incorporating both groundwater flow and heat transport. The model was constructed with MODFLOW-2000, a version of the U.S. Geological Survey’s groundwater flow model, and MT3DMS, a transport model that simulates advection, dispersion, and chemical reactions of solutes or heat in groundwater systems. Observations of groundwater discharge by evapotranspiration, springflow, mountain stream base flow, and well withdrawals; groundwater-level altitudes; and groundwater temperatures were used to calibrate the model. Parameter values estimated by regression analyses were reasonable and within the range of expected values.This study represents one of the first regional modeling efforts to include calibration to groundwater temperature data. The inclusion of temperature observations reduced parameter uncertainty, in some cases quite significantly, over using just water-level altitude and discharge observations. Of the 39 parameters used to simulate horizontal hydraulic conductivity, uncertainty on 11 of these parameters was reduced to one order of magnitude or less. Other significant reductions in parameter uncertainty occurred in parameters representing the vertical anisotropy ratio, drain and river conductance, recharge rates, and well withdrawal rates.The model provides a good representation of the groundwater system. Simulated water-level altitudes range over almost 2,000 meters (m); 98 percent of the simulated values of water-level altitudes in wells are within 30 m of observed water-level altitudes, and 58 percent of them are within 12 m. Nineteen of 20 simulated discharges are within 30 percent of observed discharge. Eighty-one percent of the simulated values of groundwater temperatures in wells are within 2 degrees Celsius (°C) of the observed values, and 55 percent of them are within 0.75 °C. The numerical model represents a more robust quantification of groundwater budget components than previous studies because the model integrates all components of the groundwater budget. The model also incorporates new data including (1) a detailed hydrogeologic framework, and (2) more observations, including several new water-level altitudes throughout the study area, several new measurements of spring discharge within Snake Valley which had not previously been monitored, and groundwater temperature data. Uncertainty in the estimates of subsurface flow are less than those of previous studies because the model balanced recharge and discharge across the entire simulated area, not just in each hydrographic area, and because of the large dataset of observations (water-level altitudes, discharge, and temperatures) used to calibrate the model and the resulting transmissivity distribution.Groundwater recharge from precipitation and unconsumed irrigation in Snake Valley is 160,000 acre-feet per year (acre-ft/yr), which is within the range of previous estimates. Subsurface inflow from southern Spring Valley to southern Snake Valley is 13,000 acre-ft/yr and is within the range of previous estimates; subsurface inflow from Spring Valley to Snake Valley north of the Snake Range, however, is only 2,200 acre-ft/yr, which is much less than has been previously estimated. Groundwater discharge from groundwater evapotranspiration and springs is 100,000 acre-ft/yr, and discharge to mountain streams is 3,300 acre-ft/yr; these are within the range of previous estimates. Current well withdrawals are 28,000 acre-ft/yr. Subsurface outflow from Snake Valley moves into Pine Valley (2,000 acre-ft/yr), Wah Wah Valley (23 acre-ft/yr), Tule Valley (33,000 acre-ft/yr), Fish Springs Flat (790 acre-ft/yr), and outside of the study area towards Great Salt Lake Desert (8,400 acre-ft/yr); these outflows, totaling about 44,000 acre-ft/yr, are within the range of previous estimates.The subsurface flow amounts indicate the degree of connectivity between hydrographic areas within the study area. The simulated transmissivity and locations of natural discharge, however, provide a better estimate of the effect of groundwater withdrawals on groundwater resources than does the amount and direction of subsurface flow between hydrographic areas. The distribution of simulated transmissivity throughout the study area includes many areas of high transmissivity within and between hydrographic areas. Increased well withdrawals within these high transmissivity areas will likely affect a large part of the study area, resulting in declining groundwater levels, as well as leading to a decrease in natural discharge to springs and evapotranspiration.

Detailed Comparison of DNS to PSE for Oblique Breakdown at Mach 3

NASA Technical Reports Server (NTRS)

Mayer, Christian S. J.; Fasel, Hermann F.; Choudhari, Meelan; Chang, Chau-Lyan

2010-01-01

A pair of oblique waves at low amplitudes is introduced in a supersonic flat-plate boundary layer. Their downstream development and the concomitant process of laminar to turbulent transition is then investigated numerically using Direct Numerical Simulations (DNS) and Parabolized Stability Equations (PSE). This abstract is the last part of an extensive study of the complete transition process initiated by oblique breakdown at Mach 3. In contrast to the previous simulations, the symmetry condition in the spanwise direction is removed for the simulation presented in this abstract. By removing the symmetry condition, we are able to confirm that the flow is indeed symmetric over the entire computational domain. Asymmetric modes grow in the streamwise direction but reach only small amplitude values at the outflow. Furthermore, this abstract discusses new time-averaged data from our previous simulation CASE 3 and compares PSE data obtained from NASA's LASTRAC code to DNS results.

Study on method to simulate light propagation on tissue with characteristics of radial-beam LED based on Monte-Carlo method.

PubMed

Song, Sangha; Elgezua, Inko; Kobayashi, Yo; Fujie, Masakatsu G

2013-01-01

In biomedical, Monte-carlo simulation is commonly used for simulation of light diffusion in tissue. But, most of previous studies did not consider a radial beam LED as light source. Therefore, we considered characteristics of a radial beam LED and applied them on MC simulation as light source. In this paper, we consider 3 characteristics of radial beam LED. The first is an initial launch area of photons. The second is an incident angle of a photon at an initial photon launching area. The third is the refraction effect according to contact area between LED and a turbid medium. For the verification of the MC simulation, we compared simulation and experimental results. The average of the correlation coefficient between simulation and experimental results is 0.9954. Through this study, we show an effective method to simulate light diffusion on tissue with characteristics for radial beam LED based on MC simulation.

Data-Driven Anomaly Detection Performance for the Ares I-X Ground Diagnostic Prototype

NASA Technical Reports Server (NTRS)

Martin, Rodney A.; Schwabacher, Mark A.; Matthews, Bryan L.

2010-01-01

In this paper, we will assess the performance of a data-driven anomaly detection algorithm, the Inductive Monitoring System (IMS), which can be used to detect simulated Thrust Vector Control (TVC) system failures. However, the ability of IMS to detect these failures in a true operational setting may be related to the realistic nature of how they are simulated. As such, we will investigate both a low fidelity and high fidelity approach to simulating such failures, with the latter based upon the underlying physics. Furthermore, the ability of IMS to detect anomalies that were previously unknown and not previously simulated will be studied in earnest, as well as apparent deficiencies or misapplications that result from using the data-driven paradigm. Our conclusions indicate that robust detection performance of simulated failures using IMS is not appreciably affected by the use of a high fidelity simulation. However, we have found that the inclusion of a data-driven algorithm such as IMS into a suite of deployable health management technologies does add significant value.

Geohydrology of, and simulation of ground-water flow in, the Milford-Souhegan glacial-drift aquifer, Milford, New Hampshire

USGS Publications Warehouse

Harte, P.T.; Mack, Thomas J.

1992-01-01

Hydrogeologic data collected since 1990 were assessed and a ground-water-flow model was refined in this study of the Milford-Souhegan glacial-drift aquifer in Milford, New Hampshire. The hydrogeologic data collected were used to refine estimates of hydraulic conductivity and saturated thickness of the aquifer, which were previously calculated during 1988-90. In October 1990, water levels were measured at 124 wells and piezometers, and at 45 stream-seepage sites on the main stem of the Souhegan River, and on small tributary streams overlying the aquifer to improve an understanding of ground-water-flow patterns and stream-seepage gains and losses. Refinement of the ground-water-flow model included a reduction in the number of active cells in layer 2 in the central part of the aquifer, a revision of simulated hydraulic conductivity in model layers 2 and representing the aquifer, incorporation of a new block-centered finite-difference ground-water-flow model, and incorporation of a new solution algorithm and solver (a preconditioned conjugate-gradient algorithm). Refinements to the model resulted in decreases in the difference between calculated and measured heads at 22 wells. The distribution of gains and losses of stream seepage calculated in simulation with the refined model is similar to that calculated in the previous model simulation. The contributing area to the Savage well, under average pumping conditions, decreased by 0.021 square miles from the area calculated in the previous model simulation. The small difference in the contrib- uting recharge area indicates that the additional data did not enhance model simulation and that the conceptual framework for the previous model is accurate.

Atmospheric Dispersion Modeling of the February 2014 Waste Isolation Pilot Plant Release

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

Nasstrom, John; Piggott, Tom; Simpson, Matthew

2015-07-22

This report presents the results of a simulation of the atmospheric dispersion and deposition of radioactivity released from the Waste Isolation Pilot Plant (WIPP) site in New Mexico in February 2014. These simulations were made by the National Atmospheric Release Advisory Center (NARAC) at Lawrence Livermore National Laboratory (LLNL), and supersede NARAC simulation results published in a previous WIPP report (WIPP, 2014). The results presented in this report use additional, more detailed data from WIPP on the specific radionuclides released, radioactivity release amounts and release times. Compared to the previous NARAC simulations, the new simulation results in this report aremore » based on more detailed modeling of the winds, turbulence, and particle dry deposition. In addition, the initial plume rise from the exhaust vent was considered in the new simulations, but not in the previous NARAC simulations. The new model results show some small differences compared to previous results, but do not change the conclusions in the WIPP (2014) report. Presented are the data and assumptions used in these model simulations, as well as the model-predicted dose and deposition on and near the WIPP site. A comparison of predicted and measured radionuclide-specific air concentrations is also presented.« less

Synthesis of instrumentally and historically recorded earthquakes and studying their spatial statistical relationship (A case study: Dasht-e-Biaz, Eastern Iran)

NASA Astrophysics Data System (ADS)

Jalali, Mohammad; Ramazi, Hamidreza

2018-06-01

Earthquake catalogues are the main source of statistical seismology for the long term studies of earthquake occurrence. Therefore, studying the spatiotemporal problems is important to reduce the related uncertainties in statistical seismology studies. A statistical tool, time normalization method, has been determined to revise time-frequency relationship in one of the most active regions of Asia, Eastern Iran and West of Afghanistan, (a and b were calculated around 8.84 and 1.99 in the exponential scale, not logarithmic scale). Geostatistical simulation method has been further utilized to reduce the uncertainties in the spatial domain. A geostatistical simulation produces a representative, synthetic catalogue with 5361 events to reduce spatial uncertainties. The synthetic database is classified using a Geographical Information System, GIS, based on simulated magnitudes to reveal the underlying seismicity patterns. Although some regions with highly seismicity correspond to known faults, significantly, as far as seismic patterns are concerned, the new method highlights possible locations of interest that have not been previously identified. It also reveals some previously unrecognized lineation and clusters in likely future strain release.

Theory-Based Interventions Combining Mental Simulation and Planning Techniques to Improve Physical Activity: Null Results from Two Randomized Controlled Trials.

PubMed

Meslot, Carine; Gauchet, Aurélie; Allenet, Benoît; François, Olivier; Hagger, Martin S

2016-01-01

Interventions to assist individuals in initiating and maintaining regular participation in physical activity are not always effective. Psychological and behavioral theories advocate the importance of both motivation and volition in interventions to change health behavior. Interventions adopting self-regulation strategies that foster motivational and volitional components may, therefore, have utility in promoting regular physical activity participation. We tested the efficacy of an intervention adopting motivational (mental simulation) and volitional (implementation intentions) components to promote a regular physical activity in two studies. Study 1 adopted a cluster randomized design in which participants ( n = 92) were allocated to one of three conditions: mental simulation plus implementation intention, implementation intention only, or control. Study 2 adopted a 2 (mental simulation vs. no mental simulation) × 2 (implementation intention vs. no implementation intention) randomized controlled design in which fitness center attendees ( n = 184) were randomly allocated one of four conditions: mental simulation only, implementation intention only, combined, or control. Physical activity behavior was measured by self-report (Study 1) or fitness center attendance (Study 2) at 4- (Studies 1 and 2) and 19- (Study 2 only) week follow-up periods. Findings revealed no statistically significant main or interactive effects of the mental simulation and implementation intention conditions on physical activity outcomes in either study. Findings are in contrast to previous research which has found pervasive effects for both intervention strategies. Findings are discussed in light of study limitations including the relatively small sample sizes, particularly for Study 1, deviations in the operationalization of the intervention components from previous research and the lack of a prompt for a goal intention. Future research should focus on ensuring uniformity in the format of the intervention components, test the effects of each component alone and in combination using standardized measures across multiple samples, and systematically explore effects of candidate moderators.

Theory-Based Interventions Combining Mental Simulation and Planning Techniques to Improve Physical Activity: Null Results from Two Randomized Controlled Trials

PubMed Central

Meslot, Carine; Gauchet, Aurélie; Allenet, Benoît; François, Olivier; Hagger, Martin S.

2016-01-01

Interventions to assist individuals in initiating and maintaining regular participation in physical activity are not always effective. Psychological and behavioral theories advocate the importance of both motivation and volition in interventions to change health behavior. Interventions adopting self-regulation strategies that foster motivational and volitional components may, therefore, have utility in promoting regular physical activity participation. We tested the efficacy of an intervention adopting motivational (mental simulation) and volitional (implementation intentions) components to promote a regular physical activity in two studies. Study 1 adopted a cluster randomized design in which participants (n = 92) were allocated to one of three conditions: mental simulation plus implementation intention, implementation intention only, or control. Study 2 adopted a 2 (mental simulation vs. no mental simulation) × 2 (implementation intention vs. no implementation intention) randomized controlled design in which fitness center attendees (n = 184) were randomly allocated one of four conditions: mental simulation only, implementation intention only, combined, or control. Physical activity behavior was measured by self-report (Study 1) or fitness center attendance (Study 2) at 4- (Studies 1 and 2) and 19- (Study 2 only) week follow-up periods. Findings revealed no statistically significant main or interactive effects of the mental simulation and implementation intention conditions on physical activity outcomes in either study. Findings are in contrast to previous research which has found pervasive effects for both intervention strategies. Findings are discussed in light of study limitations including the relatively small sample sizes, particularly for Study 1, deviations in the operationalization of the intervention components from previous research and the lack of a prompt for a goal intention. Future research should focus on ensuring uniformity in the format of the intervention components, test the effects of each component alone and in combination using standardized measures across multiple samples, and systematically explore effects of candidate moderators. PMID:27899904

Does Southern Ocean Surface Forcing Shape the Global Ocean Overturning Circulation?

NASA Astrophysics Data System (ADS)

Sun, Shantong; Eisenman, Ian; Stewart, Andrew L.

2018-03-01

Paleoclimate proxy data suggest that the Atlantic Meridional Overturning Circulation (AMOC) was shallower at the Last Glacial Maximum (LGM) than its preindustrial (PI) depth. Previous studies have suggested that this shoaling necessarily accompanies Antarctic sea ice expansion at the LGM. Here the influence of Southern Ocean surface forcing on the AMOC depth is investigated using ocean-only simulations from a state-of-the-art climate model with surface forcing specified from the output of previous coupled PI and LGM simulations. In contrast to previous expectations, we find that applying LGM surface forcing in the Southern Ocean and PI surface forcing elsewhere causes the AMOC to shoal only about half as much as when LGM surface forcing is applied globally. We show that this occurs because diapycnal mixing renders the Southern Ocean overturning circulation more diabatic than previously assumed, which diminishes the influence of Southern Ocean surface buoyancy forcing on the depth of the AMOC.

Studies of concentration and temperature dependences of precipitation kinetics in iron-copper alloys using kinetic Monte Carlo and stochastic statistical simulations

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

Khromov, K. Yu.; Vaks, V. G., E-mail: vaks@mbslab.kiae.ru; Zhuravlev, I. A.

2013-02-15

The previously developed ab initio model and the kinetic Monte Carlo method (KMCM) are used to simulate precipitation in a number of iron-copper alloys with different copper concentrations x and temperatures T. The same simulations are also made using an improved version of the previously suggested stochastic statistical method (SSM). The results obtained enable us to make a number of general conclusions about the dependences of the decomposition kinetics in Fe-Cu alloys on x and T. We also show that the SSM usually describes the precipitation kinetics in good agreement with the KMCM, and using the SSM in conjunction withmore » the KMCM allows extending the KMC simulations to the longer evolution times. The results of simulations seem to agree with available experimental data for Fe-Cu alloys within statistical errors of simulations and the scatter of experimental results. Comparison of simulation results with experiments for some multicomponent Fe-Cu-based alloys allows making certain conclusions about the influence of alloying elements in these alloys on the precipitation kinetics at different stages of evolution.« less

Numerical Simulation of Liquids Draining From a Tank Using OpenFOAM

NASA Astrophysics Data System (ADS)

Sakri, Fadhilah Mohd; Sukri Mat Ali, Mohamed; Zaki Shaikh Salim, Sheikh Ahmad; Muhamad, Sallehuddin

2017-08-01

Accurate simulation of liquids draining is a challenging task. It involves two phases flow, i.e. liquid and air. In this study draining a liquid from a cylindrical tank is numerically simulated using OpenFOAM. OpenFOAM is an open source CFD package and it becomes increasingly popular among the academician and also industries. Comparisons with theoretical and results from previous published data confirmed that OpenFOAM is able to simulate the liquids draining very well. This is done using the gas-liquid interface solver available in the standard library of OpenFOAM. Additionally, this study was also able to explain the physics flow of the draining tank.

Effects of long and short simulated flights on the saccadic eye movement velocity of aviators.

PubMed

Di Stasi, Leandro L; McCamy, Michael B; Martinez-Conde, Susana; Gayles, Ellis; Hoare, Chad; Foster, Michael; Catena, Andrés; Macknik, Stephen L

2016-01-01

Aircrew fatigue is a major contributor to operational errors in civil and military aviation. Objective detection of pilot fatigue is thus critical to prevent aviation catastrophes. Previous work has linked fatigue to changes in oculomotor dynamics, but few studies have studied this relationship in critical safety environments. Here we measured the eye movements of US Marine Corps combat helicopter pilots before and after simulated flight missions of different durations.We found a decrease in saccadic velocities after long simulated flights compared to short simulated flights. These results suggest that saccadic velocity could serve as a biomarker of aviator fatigue.

Shock compression response of cold-rolled Ni/Al multilayer composites

NASA Astrophysics Data System (ADS)

Specht, Paul E.; Weihs, Timothy P.; Thadhani, Naresh N.

2017-01-01

Uniaxial strain, plate-on-plate impact experiments were performed on cold-rolled Ni/Al multilayer composites and the resulting Hugoniot was determined through time-resolved measurements combined with impedance matching. The experimental Hugoniot agreed with that previously predicted by two dimensional (2D) meso-scale calculations [Specht et al., J. Appl. Phys. 111, 073527 (2012)]. Additional 2D meso-scale simulations were performed using the same computational method as the prior study to reproduce the experimentally measured free surface velocities and stress profiles. These simulations accurately replicated the experimental profiles, providing additional validation for the previous computational work.

Interaction of deep and shallow convection is key to Madden-Julian Oscillation simulation

NASA Astrophysics Data System (ADS)

Zhang, Guang J.; Song, Xiaoliang

2009-05-01

This study investigates the role of the interaction between deep and shallow convection in MJO simulation using the NCAR CAM3. Two simulations were performed, one using a revised Zhang-McFarlane convection scheme for deep convection and the Hack scheme for shallow convection, and the other disallowing shallow convection below 700 mb in the tropical belt. The two simulations produce dramatically different MJO characteristics. While the control simulation produces realistic MJOs, the simulation without shallow convection has very weak MJO signals in the Indian Ocean and western Pacific. Composite analysis finds that shallow convection serves to precondition the lower troposphere by moistening it ahead of deep convection. It also produces enhanced low-level mass convergence below 850 mb ahead of deep convection. This work, together with previous studies, suggests that a correct simulation of the interaction between deep and shallow convection is key to MJO simulation in global climate models.

Adrenergic Receptor Stimulation Prevents Radiation-Induced DNA Strand Breaks, Apoptosis and Gene Expression in Simulated Microgravity

NASA Technical Reports Server (NTRS)

Moreno-Villanueva, Maria; Krieger, Stephanie; Feiveson, Alan; Kovach, Annie Marie; Buerkle, Alexander; Wu, Honglu

2017-01-01

Under Earth gravity conditions cellular damage can be counteracted by activation of the physiological defense mechanisms or through medical interventions. The mode of action of both, physiological response and medical interventions can be affected by microgravity leading to failure in repairing the damage. There are many studies reporting the effects of microgravity and/or radiation on cellular functions. However, little is known about the synergistic effects on cellular response to radiation when other endogenous cellular stress-response pathways are previously activated. Here, we investigated whether previous stimulation of the adrenergic receptor, which modulates immune response, affects radiation-induced apoptosis in immune cells under simulated microgravity conditions. Peripheral blood mononuclear cells (PBMCs) were stimulated with isoproterenol (a sympathomimetic drug) and exposed to 0.8 or 2Gy gamma-radiation in simulated microgravity versus Earth gravity. Expression of genes involved in adrenergic receptor pathways, DNA repair and apoptosis as well as the number of apoptotic cells and DNA strand breaks were determined. Our results showed that, under simulated microgravity conditions, previous treatment with isoproterenol prevented radiation-induced i) gene down regulation, ii) DNA strand breaks formation and iii) apoptosis induction. Interestedly, we found a radiation-induced increase of adrenergic receptor gene expression, which was also abolished in simulated microgravity. Understanding the mechanisms of isoproterenol-mediated radioprotection in simulated microgravity can help to develop countermeasures for space-associated health risks as well as radio-sensitizers for cancer therapy.

Random number generators for large-scale parallel Monte Carlo simulations on FPGA

NASA Astrophysics Data System (ADS)

Lin, Y.; Wang, F.; Liu, B.

2018-05-01

Through parallelization, field programmable gate array (FPGA) can achieve unprecedented speeds in large-scale parallel Monte Carlo (LPMC) simulations. FPGA presents both new constraints and new opportunities for the implementations of random number generators (RNGs), which are key elements of any Monte Carlo (MC) simulation system. Using empirical and application based tests, this study evaluates all of the four RNGs used in previous FPGA based MC studies and newly proposed FPGA implementations for two well-known high-quality RNGs that are suitable for LPMC studies on FPGA. One of the newly proposed FPGA implementations: a parallel version of additive lagged Fibonacci generator (Parallel ALFG) is found to be the best among the evaluated RNGs in fulfilling the needs of LPMC simulations on FPGA.

Effects of linking a soil-water-balance model with a groundwater-flow model

USGS Publications Warehouse

Stanton, Jennifer S.; Ryter, Derek W.; Peterson, Steven M.

2013-01-01

A previously published regional groundwater-flow model in north-central Nebraska was sequentially linked with the recently developed soil-water-balance (SWB) model to analyze effects to groundwater-flow model parameters and calibration results. The linked models provided a more detailed spatial and temporal distribution of simulated recharge based on hydrologic processes, improvement of simulated groundwater-level changes and base flows at specific sites in agricultural areas, and a physically based assessment of the relative magnitude of recharge for grassland, nonirrigated cropland, and irrigated cropland areas. Root-mean-squared (RMS) differences between the simulated and estimated or measured target values for the previously published model and linked models were relatively similar and did not improve for all types of calibration targets. However, without any adjustment to the SWB-generated recharge, the RMS difference between simulated and estimated base-flow target values for the groundwater-flow model was slightly smaller than for the previously published model, possibly indicating that the volume of recharge simulated by the SWB code was closer to actual hydrogeologic conditions than the previously published model provided. Groundwater-level and base-flow hydrographs showed that temporal patterns of simulated groundwater levels and base flows were more accurate for the linked models than for the previously published model at several sites, particularly in agricultural areas.

Alignment of Teacher and Student Perceptions on the Continued Use of Business Simulation Games

ERIC Educational Resources Information Center

Tao, Yu-Hui; Cheng, Chieh-Jen; Sun, Szu-Yuan

2012-01-01

The higher education system in Taiwan has increasingly adopted business simulation games (BSGs) in recent years. Previous BSG benefit research has shifted focus from learning performance to motivation due to mixed results. One recent study empirically investigated student perceptions on the continued use of BSGs; however, the counterpart of higher…

Soldier Dimensions in Combat Models

DTIC Science & Technology

1990-05-07

and performance. Questionnaires, SQTs, and ARTEPs were often used. Many scales had estimates of reliability but few had validity data. Most studies...pending its validation . Research plans were provided for applications in simulated combat and with simulation devices, for data previously gathered...regarding reliability and validity . Lack of information following an instrument indicates neither reliability nor validity information was provided by the

Comparison of software models for energy savings from cool roofs

DOE PAGES

New, Joshua; Miller, William A.; Huang, Yu; ...

2015-06-07

For this study, a web-based Roof Savings Calculator (RSC) has been deployed for the United States Department of Energy as an industry-consensus tool to help building owners, manufacturers, distributors, contractors and researchers easily run complex roof and attic simulations. RSC simulates multiple roof and attic technologies for side-by-side comparison including reflective roofs, different roof slopes, above sheathing ventilation, radiant barriers, low-emittance roof surfaces, duct location, duct leakage rates, multiple substrate types, and insulation levels. Annual simulations of hour-by-hour, whole-building performance are used to provide estimated annual energy and cost savings from reduced HVAC use. While RSC reported similar cooling savingsmore » to other simulation engines, heating penalty varied significantly. RSC results show reduced cool roofing cost-effectiveness, thus mitigating expected economic incentives for this countermeasure to the urban heat island effect. This paper consolidates comparison of RSC's projected energy savings to other simulation engines including DOE-2.1E, AtticSim, Micropas, and EnergyPlus. Also included are comparisons to previous simulation-based studies, analysis of RSC cooling savings and heating penalties, the role of radiative heat exchange in an attic assembly, and changes made for increased accuracy of the duct model. Finally, radiant heat transfer and duct interaction not previously modeled is considered a major contributor to heating penalties.« less

Multiple-relaxation-time color-gradient lattice Boltzmann model for simulating two-phase flows with high density ratio

NASA Astrophysics Data System (ADS)

Ba, Yan; Liu, Haihu; Li, Qing; Kang, Qinjun; Sun, Jinju

2016-08-01

In this paper we propose a color-gradient lattice Boltzmann (LB) model for simulating two-phase flows with high density ratio and high Reynolds number. The model applies a multirelaxation-time (MRT) collision operator to enhance the stability of the simulation. A source term, which is derived by the Chapman-Enskog analysis, is added into the MRT LB equation so that the Navier-Stokes equations can be exactly recovered. Also, a form of the equilibrium density distribution function is used to simplify the source term. To validate the proposed model, steady flows of a static droplet and the layered channel flow are first simulated with density ratios up to 1000. Small values of spurious velocities and interfacial tension errors are found in the static droplet test, and improved profiles of velocity are obtained by the present model in simulating channel flows. Then, two cases of unsteady flows, Rayleigh-Taylor instability and droplet splashing on a thin film, are simulated. In the former case, the density ratio of 3 and Reynolds numbers of 256 and 2048 are considered. The interface shapes and spike and bubble positions are in good agreement with the results of previous studies. In the latter case, the droplet spreading radius is found to obey the power law proposed in previous studies for the density ratio of 100 and Reynolds number up to 500.

Effects of multilayer snow scheme on the simulation of snow: Offline Noah and coupled with NCEP CFSv2

NASA Astrophysics Data System (ADS)

Saha, Subodh Kumar; Sujith, K.; Pokhrel, Samir; Chaudhari, Hemantkumar S.; Hazra, Anupam

2017-03-01

The Noah version 2.7.1 is a moderately complex land surface model (LSM), with a single layer snowpack, combined with vegetation and underlying soil layer. Many previous studies have pointed out biases in the simulation of snow, which may hinder the skill of a forecasting system coupled with the Noah. In order to improve the simulation of snow by the Noah, a multilayer snow scheme (up to a maximum of six layers) is introduced. As Noah is the land surface component of the Climate Forecast System version 2 (CFSv2) of the National Centers for Environmental Prediction (NCEP), the modified Noah is also coupled with the CFSv2. The offline LSM shows large improvements in the simulation of snow depth, snow water equivalent (SWE), and snow cover area during snow season (October to June). CFSv2 with the modified Noah reveals a dramatic improvements in the simulation of snow depth and 2 m air temperature and moderate improvements in SWE. As suggested in the previous diagnostic and sensitivity study, improvements in the simulation of snow by CFSv2 have lead to the reduction in dry bias over the Indian subcontinent (by a maximum of 2 mm d-1). The multilayer snow scheme shows promising results in the simulation of snow as well as Indian summer monsoon rainfall and hence this development may be the part of the future version of the CFS.

In vitro method for assessing the biomechanics of the patellofemoral joint following total knee arthroplasty.

PubMed

Coles, L G; Gheduzzi, S; Miles, A W

2014-12-01

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.

Fabrication and evaluation of novel rabbit model cardiovascular simulator with 3D printer

NASA Astrophysics Data System (ADS)

Jang, Min; Lee, Min-Woo; Seo, See-Yoon; Shin, Sang-Hoon

2017-03-01

Simulators allow researchers to study the hemodynamics of the cardiovascular system in a reproducible way without using complicated equations. Previous simulators focused on heart functions. However, a detailed model of the vessels is required to replicate the pulse wave of the arterial system. A computer simulation was used to simplify the arterial branch because producing every small artery is neither possible nor necessary. A 3D-printed zig was used to make a hand-made arterial tree. The simulator that was developed was evaluated by comparing its results to in-vivo data, in terms of the hemodynamic parameters (waveform, augmentation index, impedance, etc.) that were measured at three points: the ascending aorta, the thoracic aorta, and the brachiocephalic artery. The results from the simulator showed good agreement with the in-vivo data. Therefore, this simulator can be used as a research tool for the cardiovascular study of animal models, specifically rabbits.

The benefits of being a video gamer in laparoscopic surgery.

PubMed

Sammut, Matthew; Sammut, Mark; Andrejevic, Predrag

2017-09-01

Video games are mainly considered to be of entertainment value in our society. Laparoscopic surgery and video games are activities similarly requiring eye-hand and visual-spatial skills. Previous studies have not conclusively shown a positive correlation between video game experience and improved ability to accomplish visual-spatial tasks in laparoscopic surgery. This study was an attempt to investigate this relationship. The aim of the study was to investigate whether previous video gaming experience affects the baseline performance on a laparoscopic simulator trainer. Newly qualified medical officers with minimal experience in laparoscopic surgery were invited to participate in the study and assigned to the following groups: gamers (n = 20) and non-gamers (n = 20). Analysis included participants' demographic data and baseline video gaming experience. Laparoscopic skills were assessed using a laparoscopic simulator trainer. There were no significant demographic differences between the two groups. Each participant performed three laparoscopic tasks and mean scores between the two groups were compared. The gamer group had statistically significant better results in maintaining the laparoscopic camera horizon ± 15° (p value = 0.009), in the complex ball manipulation accuracy rates (p value = 0.024) and completed the complex laparoscopic simulator task in a significantly shorter time period (p value = 0.001). Although prior video gaming experience correlated with better results, there were no significant differences for camera accuracy rates (p value = 0.074) and in a two-handed laparoscopic exercise task accuracy rates (p value = 0.092). The results show that previous video-gaming experience improved the baseline performance in laparoscopic simulator skills. Copyright © 2017 IJS Publishing Group Ltd. Published by Elsevier Ltd. All rights reserved.

Inverse modeling of ground surface uplift and pressure with iTOUGH-PEST and TOUGH-FLAC: The case of CO2 injection at In Salah, Algeria

NASA Astrophysics Data System (ADS)

Rinaldi, Antonio P.; Rutqvist, Jonny; Finsterle, Stefan; Liu, Hui-Hai

2017-11-01

Ground deformation, commonly observed in storage projects, carries useful information about processes occurring in the injection formation. The Krechba gas field at In Salah (Algeria) is one of the best-known sites for studying ground surface deformation during geological carbon storage. At this first industrial-scale on-shore CO2 demonstration project, satellite-based ground-deformation monitoring data of high quality are available and used to study the large-scale hydrological and geomechanical response of the system to injection. In this work, we carry out coupled fluid flow and geomechanical simulations to understand the uplift at three different CO2 injection wells (KB-501, KB-502, KB-503). Previous numerical studies focused on the KB-502 injection well, where a double-lobe uplift pattern has been observed in the ground-deformation data. The observed uplift patterns at KB-501 and KB-503 have single-lobe patterns, but they can also indicate a deep fracture zone mechanical response to the injection. The current study improves the previous modeling approach by introducing an injection reservoir and a fracture zone, both responding to a Mohr-Coulomb failure criterion. In addition, we model a stress-dependent permeability and bulk modulus, according to a dual continuum model. Mechanical and hydraulic properties are determined through inverse modeling by matching the simulated spatial and temporal evolution of uplift to InSAR observations as well as by matching simulated and measured pressures. The numerical simulations are in agreement with both spatial and temporal observations. The estimated values for the parameterized mechanical and hydraulic properties are in good agreement with previous numerical results. In addition, the formal joint inversion of hydrogeological and geomechanical data provides measures of the estimation uncertainty.

Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering.

PubMed

Wall, Michael E; Van Benschoten, Andrew H; Sauter, Nicholas K; Adams, Paul D; Fraser, James S; Terwilliger, Thomas C

2014-12-16

X-ray diffraction from protein crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering is limited to what is available in the mean electron density. The diffuse scattering arises from correlations in the electron density variations and therefore contains information about collective motions in proteins. Previous studies using molecular-dynamics (MD) simulations to model diffuse scattering have been hindered by insufficient sampling of the conformational ensemble. To overcome this issue, we have performed a 1.1-μs MD simulation of crystalline staphylococcal nuclease, providing 100-fold more sampling than previous studies. This simulation enables reproducible calculations of the diffuse intensity and predicts functionally important motions, including transitions among at least eight metastable states with different active-site geometries. The total diffuse intensity calculated using the MD model is highly correlated with the experimental data. In particular, there is excellent agreement for the isotropic component of the diffuse intensity, and substantial but weaker agreement for the anisotropic component. Decomposition of the MD model into protein and solvent components indicates that protein-solvent interactions contribute substantially to the overall diffuse intensity. We conclude that diffuse scattering can be used to validate predictions from MD simulations and can provide information to improve MD models of protein motions.

Genetically modified haloes: towards controlled experiments in ΛCDM galaxy formation

NASA Astrophysics Data System (ADS)

Roth, Nina; Pontzen, Andrew; Peiris, Hiranya V.

2016-01-01

We propose a method to generate `genetically modified' (GM) initial conditions for high-resolution simulations of galaxy formation in a cosmological context. Building on the Hoffman-Ribak algorithm, we start from a reference simulation with fully random initial conditions, then make controlled changes to specific properties of a single halo (such as its mass and merger history). The algorithm demonstrably makes minimal changes to other properties of the halo and its environment, allowing us to isolate the impact of a given modification. As a significant improvement over previous work, we are able to calculate the abundance of the resulting objects relative to the reference simulation. Our approach can be applied to a wide range of cosmic structures and epochs; here we study two problems as a proof of concept. First, we investigate the change in density profile and concentration as the collapse times of three individual haloes are varied at fixed final mass, showing good agreement with previous statistical studies using large simulation suites. Secondly, we modify the z = 0 mass of haloes to show that our theoretical abundance calculations correctly recover the halo mass function. The results demonstrate that the technique is robust, opening the way to controlled experiments in galaxy formation using hydrodynamic zoom simulations.

Validation of thermal effects of LED package by using Elmer finite element simulation method

NASA Astrophysics Data System (ADS)

Leng, Lai Siang; Retnasamy, Vithyacharan; Mohamad Shahimin, Mukhzeer; Sauli, Zaliman; Taniselass, Steven; Bin Ab Aziz, Muhamad Hafiz; Vairavan, Rajendaran; Kirtsaeng, Supap

2017-02-01

The overall performance of the Light-emitting diode, LED package is critically affected by the heat attribution. In this study, open source software - Elmer FEM has been utilized to study the thermal analysis of the LED package. In order to perform a complete simulation study, both Salome software and ParaView software were introduced as Pre and Postprocessor. The thermal effect of the LED package was evaluated by this software. The result has been validated with commercially licensed software based on previous work. The percentage difference from both simulation results is less than 5% which is tolerable and comparable.

Study on the CFD simulation of refrigerated container

NASA Astrophysics Data System (ADS)

Arif Budiyanto, Muhammad; Shinoda, Takeshi; Nasruddin

2017-10-01

The objective this study is to performed Computational Fluid Dynamic (CFD) simulation of refrigerated container in the container port. Refrigerated container is a thermal cargo container constructed from an insulation wall to carry kind of perishable goods. CFD simulation was carried out use cross sectional of container walls to predict surface temperatures of refrigerated container and to estimate its cooling load. The simulation model is based on the solution of the partial differential equations governing the fluid flow and heat transfer processes. The physical model of heat-transfer processes considered in this simulation are consist of solar radiation from the sun, heat conduction on the container walls, heat convection on the container surfaces and thermal radiation among the solid surfaces. The validation of simulation model was assessed uses surface temperatures at center points on each container walls obtained from the measurement experimentation in the previous study. The results shows the surface temperatures of simulation model has good agreement with the measurement data on all container walls.

The development of a simulation model of the treatment of coronary heart disease.

PubMed

Cooper, Keith; Davies, Ruth; Roderick, Paul; Chase, Debbie; Raftery, James

2002-11-01

A discrete event simulation models the progress of patients who have had a coronary event, through their treatment pathways and subsequent coronary events. The main risk factors in the model are age, sex, history of previous events and the extent of the coronary vessel disease. The model parameters are based on data collected from epidemiological studies of incidence and prognosis, efficacy studies. national surveys and treatment audits. The simulation results were validated against different sources of data. The initial results show that increasing revascularisation has considerable implications for resource use but has little impact on patient mortality.

Gryphon: A Hybrid Agent-Based Modeling and Simulation Platform for Infectious Diseases

NASA Astrophysics Data System (ADS)

Yu, Bin; Wang, Jijun; McGowan, Michael; Vaidyanathan, Ganesh; Younger, Kristofer

In this paper we present Gryphon, a hybrid agent-based stochastic modeling and simulation platform developed for characterizing the geographic spread of infectious diseases and the effects of interventions. We study both local and non-local transmission dynamics of stochastic simulations based on the published parameters and data for SARS. The results suggest that the expected numbers of infections and the timeline of control strategies predicted by our stochastic model are in reasonably good agreement with previous studies. These preliminary results indicate that Gryphon is able to characterize other future infectious diseases and identify endangered regions in advance.

Modelling and simulation of a pervaporation process using tubular module for production of anhydrous ethanol

NASA Astrophysics Data System (ADS)

Hieu, Nguyen Huu

2017-09-01

Pervaporation is a potential process for the final step of ethanol biofuel production. In this study, a mathematical model was developed based on the resistance-in-series model and a simulation was carried out using the specialized simulation software COMSOL Multiphysics to describe a tubular type pervaporation module with membranes for the dehydration of ethanol solution. The permeance of membranes, operating conditions, and feed conditions in the simulation were referred from experimental data reported previously in literature. Accordingly, the simulated temperature and density profiles of pure water and ethanol-water mixture were validated based on existing published data.

The Eccentric Satellites Problem: Comparing Milky Way Satellite Orbital Properties to Simulation Results

NASA Astrophysics Data System (ADS)

Haji, Umran; Pryor, Carlton; Applebaum, Elaad; Brooks, Alyson

2018-01-01

We compare the orbital properties of the satellite galaxies of the Milky Way to those of satellites found in simulated Milky Way-like systems as a means of testing cosmological simulations of galaxy formation. The particular problem that we are investigating is a discrepancy in the distribution of orbital eccentricities. Previous studies of Milky Way-mass systems analyzed in a semi-analytic ΛCDM cosmological model have found that the satellites tend to have significantly larger fractions of their kinetic energy invested in radial motion with respect to their central galaxy than do the real-world Milky Way satellites. We analyze several high-resolution ("zoom-in") hydrodynamical simulations of Milky Way-mass galaxies and their associated satellite systems to investigate why previous works found Milky Way-like systems to be rare. We find a possible relationship between a quiescent galactic assembly history and a distribution of satellite kinematics resembling that of the Milky Way. This project has been supported by funding from National Science Foundation grant PHY-1560077.

Use of Remote Sensing and Dust Modelling to Evaluate Ecosystem Phenology and Pollen Dispersal

NASA Technical Reports Server (NTRS)

Luvall, Jeffrey C.; Sprigg, William A.; Watts, Carol; Shaw, Patrick

2007-01-01

The impact of pollen release and downwind concentrations can be evaluated utilizing remote sensing. Previous NASA studies have addressed airborne dust prediction systems PHAiRS (Public Health Applications in Remote Sensing) which have determined that pollen forecasts and simulations are possible. By adapting the deterministic dust model (as an in-line system with the National Weather Service operational forecast model) used in PHAiRS to simulate downwind dispersal of pollen, initializing the model with pollen source regions from MODIS, assessing the results a rapid prototype concept can be produced. We will present the results of our effort to develop a deterministic model for predicting and simulating pollen emission and downwind concentration to study details or phenology and meteorology and their dependencies, and the promise of a credible real time forecast system to support public health and agricultural science and service. Previous studies have been done with PHAiRS research, the use of NASA data, the dust model and the PHAiRS potential to improve public health and environmental services long into the future.

A Computational Study of the Flow Physics of Acoustic Liners

NASA Technical Reports Server (NTRS)

Tam, Christopher

2006-01-01

The present investigation is a continuation of a previous joint project between the Florida State University and the NASA Langley Research Center Liner Physics Team. In the previous project, a study of acoustic liners, in two dimensions, inside a normal incidence impedance tube was carried out. The study consisted of two parts. The NASA team was responsible for the experimental part of the project. This involved performing measurements in an impedance tube with a large aspect ratio slit resonator. The FSU team was responsible for the computation part of the project. This involved performing direct numerical simulation (DNS) of the NASA experiment in two dimensions using CAA methodology. It was agreed that upon completion of numerical simulation, the computed values of the liner impedance were to be sent to NASA for validation with experimental results. On following this procedure good agreements were found between numerical results and experimental measurements over a wide range of frequencies and sound-pressure-level. Broadband incident sound waves were also simulated numerically and measured experimentally. Overall, good agreements were also found.

GEANT4 Tuning For pCT Development

NASA Astrophysics Data System (ADS)

Yevseyeva, Olga; de Assis, Joaquim T.; Evseev, Ivan; Schelin, Hugo R.; Paschuk, Sergei A.; Milhoretto, Edney; Setti, João A. P.; Díaz, Katherin S.; Hormaza, Joel M.; Lopes, Ricardo T.

2011-08-01

Proton beams in medical applications deal with relatively thick targets like the human head or trunk. Thus, the fidelity of proton computed tomography (pCT) simulations as a tool for proton therapy planning depends in the general case on the accuracy of results obtained for the proton interaction with thick absorbers. GEANT4 simulations of proton energy spectra after passing thick absorbers do not agree well with existing experimental data, as showed previously. Moreover, the spectra simulated for the Bethe-Bloch domain showed an unexpected sensitivity to the choice of low-energy electromagnetic models during the code execution. These observations were done with the GEANT4 version 8.2 during our simulations for pCT. This work describes in more details the simulations of the proton passage through aluminum absorbers with varied thickness. The simulations were done by modifying only the geometry in the Hadrontherapy Example, and for all available choices of the Electromagnetic Physics Models. As the most probable reasons for these effects is some specific feature in the code, or some specific implicit parameters in the GEANT4 manual, we continued our study with version 9.2 of the code. Some improvements in comparison with our previous results were obtained. The simulations were performed considering further applications for pCT development.

Mechanical property studies of human gallstones.

PubMed

Stranne, S K; Cocks, F H; Gettliffe, R

1990-08-01

The recent development of gallstone fragmentation methods has increased the significance of the study of the mechanical properties of human gallstones. In the present work, fracture strength data and microhardness values of gallstones of various chemical compositions are presented as tested in both dry and simulated bile environments. Generally, both gallstone hardness and fracture strength values were significantly less than kidney stone values found in previous studies. However, a single calcium carbonate stone was found to have an outer shell hardness exceeding those values found for kidney stones. Diametral compression measurements in simulated bile conclusively demonstrated low gallstone fracture strength as well as brittle fracture in the stones tested. Based on the results of this study, one may conclude that the wide range of gallstone microhardnesses found may explain the reported difficulties previous investigators have experienced using various fragmentation techniques on specific gallstones. Moreover, gallstone mechanical properties may be relatively sensitive to bile-environment composition.

Experimental evaluation of the effect of a modified port-location mode on the performance of a three-zone simulated moving-bed process for the separation of valine and isoleucine.

PubMed

Park, Chanhun; Nam, Hee-Geun; Kim, Pung-Ho; Mun, Sungyong

2014-06-01

The removal of isoleucine from valine has been a key issue in the stage of valine crystallization, which is the final step in the valine production process in industry. To address this issue, a three-zone simulated moving-bed (SMB) process for the separation of valine and isoleucine has been developed previously. However, the previous process, which was based on a classical port-location mode, had some limitations in throughput and valine product concentration. In this study, a three-zone SMB process based on a modified port-location mode was applied to the separation of valine and isoleucine for the purpose of making a marked improvement in throughput and valine product concentration. Computer simulations and a lab-scale process experiment showed that the modified three-zone SMB for valine separation led to >65% higher throughput and >160% higher valine concentration compared to the previous three-zone SMB for the same separation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Introducing the Met Office 2.2-km Europe-wide convection-permitting regional climate simulations

NASA Astrophysics Data System (ADS)

Kendon, Elizabeth J.; Chan, Steven C.; Berthou, Segolene; Fosser, Giorgia; Roberts, Malcolm J.; Fowler, Hayley J.

2017-04-01

The Met Office is currently conducting Europe-wide 2.2-km convection-permitting model (CPM) simulations driven by ERA-Interim reanalysis and present/future-climate GCM simulations. Here, we present the preliminary results of these new European simulations examining daily and sub-daily precipitation outputs in comparison with observations across Europe, 12-km European and 1.5-km UK climate model simulations. As the simulations are not yet complete, we focus on diagnostics that are relatively robust with a limited amount of data; for instance, the diurnal cycle and the probability distribution of daily and sub-daily precipitation intensities. We will also present specific case studies that showcase the benefits of using continental-scale CPM simulations over previously-available small-domain CPM simulations.

Large Eddy Simulation of Flame-Turbulence Interactions in a LOX-CH4 Shear Coaxial Injector

DTIC Science & Technology

2012-01-01

heat transfer from dense to light fluids.A previous study on LOX/H2 flames39,40 have pointed the limitations of central scheme to predict such large...pp. 151–169. 39Masquelet, M., Simulations of a Sub-scale Liquid Rocket Engine: Transient Heat Transfer in a Real Gas Environment , Master’s thesis...Eddy Simulation of a cryogenic flame issued from a LOX-CH4 shear coaxial injector. The operating pressure is above the critical pressure for both

Analysis of Lunar Highland Regolith Samples from Apollo 16 Drive Core 64001/2 and Lunar Regolith Simulants - An Expanding Comparative Database

NASA Technical Reports Server (NTRS)

Schrader, Christian M.; Rickman, Doug; Stoeser, Doug; Wentworth, Susan J.; Botha, Pieter WSK; Butcher, Alan R.; McKay, David; Horsch, Hanna; Benedictus, Aukje; Gottlieb, Paul

2008-01-01

We present modal data from QEMSCAN(registered TradeMark) beam analysis of Apollo 16 samples from drive core 64001/2. The analyzed lunar samples are thin sections 64002,6019 (5.0-8.0 cm depth) and 64001,6031 (50.0-53.1 cm depth) and sieved grain mounts 64002,262 and 64001,374 from depths corresponding to the thin sections, respectively. We also analyzed lunar highland regolith simulants NU-LHT-1M, -2M, and OB-1, low-Ti mare simulants JSC-1, -lA, -1AF, and FJS-1, and high-Ti mare simulant MLS-1. The preliminary results comprise the beginning of an internally consistent database of lunar regolith and regolith simulant mineral and glass information. This database, combined with previous and concurrent studies on phase chemistry, bulk chemistry, and with data on particle shape and size distribution, will serve to guide lunar scientists and engineers in choosing simulants for their applications. These results are modal% by phase rather than by particle type, so they are not directly comparable to most previously published lunar data that report lithic fragments, monomineralic particles, agglutinates, etc. Of the highland simulants, 08-1 has an integrated modal composition closer than NU-LHT-1M to that of the 64001/2 samples, However, this and other studies show that NU-LHT-1M and -2M have minor and trace mineral (e.g., Fe-Ti oxides and phosphates) populations and mineral and glass chemistry closer to these lunar samples. The finest fractions (0-20 microns) in the sieved lunar samples are enriched in glass relative to the integrated compositions by approx.30% for 64002,262 and approx.15% for 64001,374. Plagioclase, pyroxene, and olivine are depleted in these finest fractions. This could be important to lunar dust mitigation efforts and astronaut health - none of the analyzed simulants show this trend. Contrary to previously reported modal analyses of monomineralic grains in lunar regolith, these area% modal analyses do not show a systematic increase in plagiociase/pyroxene as size fraction decreases.

Torso-Tank Validation of High-Resolution Electrogastrography (EGG): Forward Modelling, Methodology and Results.

PubMed

Calder, Stefan; O'Grady, Greg; Cheng, Leo K; Du, Peng

2018-04-27

Electrogastrography (EGG) is a non-invasive method for measuring gastric electrical activity. Recent simulation studies have attempted to extend the current clinical utility of the EGG, in particular by providing a theoretical framework for distinguishing specific gastric slow wave dysrhythmias. In this paper we implement an experimental setup called a 'torso-tank' with the aim of expanding and experimentally validating these previous simulations. The torso-tank was developed using an adult male torso phantom with 190 electrodes embedded throughout the torso. The gastric slow waves were reproduced using an artificial current source capable of producing 3D electrical fields. Multiple gastric dysrhythmias were reproduced based on high-resolution mapping data from cases of human gastric dysfunction (gastric re-entry, conduction blocks and ectopic pacemakers) in addition to normal test data. Each case was recorded and compared to the previously-presented simulated results. Qualitative and quantitative analyses were performed to define the accuracy showing [Formula: see text] 1.8% difference, [Formula: see text] 0.99 correlation, and [Formula: see text] 0.04 normalised RMS error between experimental and simulated findings. These results reaffirm previous findings and these methods in unison therefore present a promising morphological-based methodology for advancing the understanding and clinical applications of EGG.

Language comprehenders retain implied shape and orientation of objects.

PubMed

Pecher, Diane; van Dantzig, Saskia; Zwaan, Rolf A; Zeelenberg, René

2009-06-01

According to theories of embodied cognition, language comprehenders simulate sensorimotor experiences to represent the meaning of what they read. Previous studies have shown that picture recognition is better if the object in the picture matches the orientation or shape implied by a preceding sentence. In order to test whether strategic imagery may explain previous findings, language comprehenders first read a list of sentences in which objects were mentioned. Only once the complete list had been read was recognition memory tested with pictures. Recognition performance was better if the orientation or shape of the object matched that implied by the sentence, both immediately after reading the complete list of sentences and after a 45-min delay. These results suggest that previously found match effects were not due to strategic imagery and show that details of sensorimotor simulations are retained over longer periods.

Simulations in nursing practice: toward authentic leadership.

PubMed

Shapira-Lishchinsky, Orly

2014-01-01

Aim  This study explores nurses' ethical decision-making in team simulations in order to identify the benefits of these simulations for authentic leadership. Background  While previous studies have indicated that team simulations may improve ethics in the workplace by reducing the number of errors, those studies focused mainly on clinical aspects and not on nurses' ethical experiences or on the benefits of authentic leadership. Methods  Fifty nurses from 10 health institutions in central Israel participated in the study. Data about nurses' ethical experiences were collected from 10 teams. Qualitative data analysis based on Grounded Theory was applied, using the atlas.ti 5.0 software package. Findings  Simulation findings suggest four main benefits that reflect the underlying components of authentic leadership: self-awareness, relational transparency, balanced information processing and internalized moral perspective. Conclusions  Team-based simulation as a training tool may lead to authentic leadership among nurses. Implications for nursing management  Nursing management should incorporate team simulations into nursing practice to help resolve power conflicts and to develop authentic leadership in nursing. Consequently, errors will decrease, patients' safety will increase and optimal treatment will be provided. © 2012 John Wiley & Sons Ltd.

Evaluating MEDEVAC Force Structure Requirements Using an Updated Army Scenario, Total Army Analysis Admission Data, Monte Carlo Simulation, and Theater Structure.

PubMed

Fulton, Lawrence; Kerr, Bernie; Inglis, James M; Brooks, Matthew; Bastian, Nathaniel D

2015-07-01

In this study, we re-evaluate air ambulance requirements (rules of allocation) and planning considerations based on an Army-approved, Theater Army Analysis scenario. A previous study using workload only estimated a requirement of 0.4 to 0.6 aircraft per admission, a significant bolus over existence-based rules. In this updated study, we estimate requirements for Phase III (major combat operations) using a simulation grounded in previously published work and Phase IV (stability operations) based on four rules of allocation: unit existence rules, workload factors, theater structure (geography), and manual input. This study improves upon previous work by including the new air ambulance mission requirements of Department of Defense 51001.1, Roles and Functions of the Services, by expanding the analysis over two phases, and by considering unit rotation requirements known as Army Force Generation based on Department of Defense policy. The recommendations of this study are intended to inform future planning factors and already provided decision support to the Army Aviation Branch in determining force structure requirements. Reprint & Copyright © 2015 Association of Military Surgeons of the U.S.

Comparing cosmological hydrodynamic simulations with observations of high- redshift galaxy formation

NASA Astrophysics Data System (ADS)

Finlator, Kristian Markwart

We use cosmological hydrodynamic simulations to study the impact of outflows and radiative feedback on high-redshift galaxies. For outflows, we consider simulations that assume (i) no winds, (ii) a "constant-wind" model in which the mass-loading factor and outflow speed are constant, and (iii) "momentum-driven" winds in which both parameters vary smoothly with mass. In order to treat radiative feedback, we develop a moment-based radiative transfer technique that operates in both post-processing and coupled radiative hydrodynamic modes. We first ask how outflows impact the broadband spectral energy distributions (SEDs) of six observed reionization-epoch galaxies. Simulations reproduce five regardless of the outflow prescription, while the sixth suggests an unusually bursty star formation history. We conclude that (i) simulations broadly account for available constraints on reionization-epoch galaxies, (ii) individual SEDs do not constrain outflows, and (iii) SED comparisons efficiently isolate objects that challenge simulations. We next study how outflows impact the galaxy mass metallicity relation (MZR). Momentum-driven outflows uniquely reproduce observations at z = 2. In this scenario, galaxies obey two equilibria: (i) The rate at which a galaxy processes gas into stars and outflows tracks its inflow rate; and (ii) The gas enrichment rate owing to star formation balances the dilution rate owing to inflows. Combining these conditions indicates that the MZR is dominated by the (instantaneous) variation of outflows with mass, with more-massive galaxies driving less gas into outflows per unit stellar mass formed. Turning to radiative feedback, we use post-processing simulations to study the topology of reionization. Reionization begins in overdensities and then "leaks" directly into voids, with filaments reionizing last owing to their high density and low emissivity. This result conflicts with previous findings that voids ionize last. We argue that it owes to the uniqely-biased emissivity field produced by our star formation prescriptions, which have previously been shown to reproduce numerous post-reionization constraints. Finally, preliminary results from coupled radiative hydrodynamic simulations indicate that reionization suppresses the star formation rate density by at most 10-20% by z = 5. This is much less than previous estimates, which we attribute to our unique reionization topology although confirmation will have to await more detailed modeling.

Multi-Exciter Vibroacoustic Simulation of Hypersonic Flight Vibration

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

GREGORY,DANNY LYNN; CAP,JEROME S.; TOGAMI,THOMAS C.

1999-11-11

Many aerospace structures must survive severe high frequency, hypersonic, random vibration during their flights. The random vibrations are generated by the turbulent boundary layer developed along the exterior of the structures during flight. These environments have not been simulated very well in the past using a fixed-based, single exciter input with an upper frequency range of 2 kHz. This study investigates the possibility of using acoustic ardor independently controlled multiple exciters to more accurately simulate hypersonic flight vibration. The test configuration, equipment, and methodology are described. Comparisons with actual flight measurements and previous single exciter simulations are also presented.

Design analysis and computer-aided performance evaluation of shuttle orbiter electrical power system. Volume 1: Summary

NASA Technical Reports Server (NTRS)

1974-01-01

Studies were conducted to develop appropriate space shuttle electrical power distribution and control (EPDC) subsystem simulation models and to apply the computer simulations to systems analysis of the EPDC. A previously developed software program (SYSTID) was adapted for this purpose. The following objectives were attained: (1) significant enhancement of the SYSTID time domain simulation software, (2) generation of functionally useful shuttle EPDC element models, and (3) illustrative simulation results in the analysis of EPDC performance, under the conditions of fault, current pulse injection due to lightning, and circuit protection sizing and reaction times.

Surface order in cold liquids: X-ray reflectivity studies of dielectric liquids and comparison to liquid metals

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

Chattopadhyay, S.; Ehrlich, S.; Uysal, A.

2010-05-17

Oscillatory surface-density profiles layers have previously been reported in several metallic liquids, one dielectric liquid, and in computer simulations of dielectric liquids. We have now seen surface layers in two other dielectric liquids, pentaphenyl trimethyl trisiloxane, and pentavinyl pentamethyl cyclopentasiloxane. These layers appear below T?285 K and T?130 K, respectively; both thresholds correspond to T/Tc?0.2 where Tc is the liquid-gas critical temperature. All metallic and dielectric liquid surfaces previously studied are also consistent with the existence of this T/Tc threshold, first indicated by the simulations of Chacon et al. The layer width parameters, determined using a distorted-crystal fitting model, followmore » common trends as functions of Tc for both metallic and dielectric liquids.« less

Guidance law simulation studies for complex approaches using the Microwave Landing System (MLS)

NASA Technical Reports Server (NTRS)

Feather, J. B.

1986-01-01

This report documents results for MLS guidance algorithm development conducted by DAC for NASA under the Advance Transport Operating Systems (ATOPS) Technology Studies program (NAS1-18028). The study consisted of evaluating guidance laws for vertical and lateral path control, as well as speed control, by simulating an MLS approach for the Washington National Airport. This work is an extension and generalization of a previous ATOPS contract (NAS1-16202) completed by DAC in 1985. The Washington river approach was simulated by six waypoints and one glideslope change and consisted of an eleven nautical mile approach path. Tracking performance was generated for 10 cases representing several different conditions, which included MLS noise, steady wind, turbulence, and windshear. Results of this simulation phase are suitable for use in future fixed-base simulator evaluations employing actual hardware (autopilot and a performance management system), as well as crew procedures and information requirements for MLS.

Feel, imagine and learn! - Haptic augmented simulation and embodied instruction in physics learning

NASA Astrophysics Data System (ADS)

Han, In Sook

The purpose of this study was to investigate the potentials and effects of an embodied instructional model in abstract concept learning. This embodied instructional process included haptic augmented educational simulation as an instructional tool to provide perceptual experiences as well as further instruction to activate those previous experiences with perceptual simulation. In order to verify the effectiveness of this instructional model, haptic augmented simulation with three different haptic levels (force and kinesthetic, kinesthetic, and non-haptic) and instructional materials (narrative and expository) were developed and their effectiveness tested. 220 fifth grade students were recruited to participate in the study from three elementary schools located in lower SES neighborhoods in Bronx, New York. The study was conducted for three consecutive weeks in regular class periods. The data was analyzed using ANCOVA, ANOVA, and MANOVA. The result indicates that haptic augmented simulations, both the force and kinesthetic and the kinesthetic simulations, was more effective than the non-haptic simulation in providing perceptual experiences and helping elementary students to create multimodal representations about machines' movements. However, in most cases, force feedback was needed to construct a fully loaded multimodal representation that could be activated when the instruction with less sensory modalities was being given. In addition, the force and kinesthetic simulation was effective in providing cognitive grounding to comprehend a new learning content based on the multimodal representation created with enhanced force feedback. Regarding the instruction type, it was found that the narrative and the expository instructions did not make any difference in activating previous perceptual experiences. These findings suggest that it is important to help students to make a solid cognitive ground with perceptual anchor. Also, sequential abstraction process would deepen students' understanding by providing an opportunity to practice their mental simulation by removing sensory modalities used one by one and to gradually reach abstract level of understanding where students can imagine the machine's movements and working mechanisms with only abstract language without any perceptual supports.

The Elastic Behaviour of Sintered Metallic Fibre Networks: A Finite Element Study by Beam Theory

PubMed Central

Bosbach, Wolfram A.

2015-01-01

Background The finite element method has complimented research in the field of network mechanics in the past years in numerous studies about various materials. Numerical predictions and the planning efficiency of experimental procedures are two of the motivational aspects for these numerical studies. The widespread availability of high performance computing facilities has been the enabler for the simulation of sufficiently large systems. Objectives and Motivation In the present study, finite element models were built for sintered, metallic fibre networks and validated by previously published experimental stiffness measurements. The validated models were the basis for predictions about so far unknown properties. Materials and Methods The finite element models were built by transferring previously published skeletons of fibre networks into finite element models. Beam theory was applied as simplification method. Results and Conclusions The obtained material stiffness isn’t a constant but rather a function of variables such as sample size and boundary conditions. Beam theory offers an efficient finite element method for the simulated fibre networks. The experimental results can be approximated by the simulated systems. Two worthwhile aspects for future work will be the influence of size and shape and the mechanical interaction with matrix materials. PMID:26569603

Structured training on the da Vinci Skills Simulator leads to improvement in technical performance of robotic novices.

PubMed

Walliczek-Dworschak, U; Mandapathil, M; Förtsch, A; Teymoortash, A; Dworschak, P; Werner, J A; Güldner, C

2017-02-01

The increasing use of minimally invasive techniques such as robotic-assisted devices raises the question of how to acquire robotic surgery skills. The da Vinci Skills Simulator has been demonstrated to be an effective training tool in previous reports. To date, little data are available on how to acquire proficiency through simulator training. We investigated the outcome of a structured training programme for robotic surgical skills by robotic novices. This prospective study was conducted from January to December 2013 using the da Vinci Skills Simulator. Twenty participants, all robotic novices, were enrolled in a 4-week training curriculum. After a brief introduction to the simulator system, three consecutive repetitions of five selected exercises (Match Board 1, 2, 3 and Ring and Rail 1, 2) were performed in a defined order on days 1, 8, 15 and 22. On day 22, one repetition of a previously unpractised more advanced module (Needle Targeting) was also performed. After completion of each study day, the overall performance, time to completion, economy in motion, instrument collisions, excessive instrument force, instruments out of view, master workspace range and number of drops were analysed. Comparing the first and final repetition, overall score and time needed to complete all exercises, economy of motion and instrument collisions were significantly improved in nearly all exercises. Regarding the new exercise, a positive training effect could be demonstrated. While its overall entry score was significantly higher, the time to completion and economy of motion were significantly lower than the scores on the first repetition of the previous 5 exercises. It could be shown that training on the da Vinci Skills Simulator led to an improvement in technical performance of robotic novices. With regard to a new exercise, the training had a positive effect on the technical performance. © 2016 John Wiley & Sons Ltd.

Frequency and Clinical Significance of Previously Undetected Incidental Findings Detected on Computed Tomography Simulation Scans for Breast Cancer Patients

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

Nakamura, Naoki, E-mail: naokinak@luke.or.jp; Tsunoda, Hiroko; Takahashi, Osamu

2012-11-01

Purpose: To determine the frequency and clinical significance of previously undetected incidental findings found on computed tomography (CT) simulation images for breast cancer patients. Methods and Materials: All CT simulation images were first interpreted prospectively by radiation oncologists and then double-checked by diagnostic radiologists. The official reports of CT simulation images for 881 consecutive postoperative breast cancer patients from 2009 to 2010 were retrospectively reviewed. Potentially important incidental findings (PIIFs) were defined as any previously undetected benign or malignancy-related findings requiring further medical follow-up or investigation. For all patients in whom a PIIF was detected, we reviewed the clinical recordsmore » to determine the clinical significance of the PIIF. If the findings from the additional studies prompted by a PIIF required a change in management, the PIIF was also recorded as a clinically important incidental finding (CIIF). Results: There were a total of 57 (6%) PIIFs. The 57 patients in whom a PIIF was detected were followed for a median of 17 months (range, 3-26). Six cases of CIIFs (0.7% of total) were detected. Of the six CIIFs, three (50%) cases had not been noted by the radiation oncologist until the diagnostic radiologist detected the finding. On multivariate analysis, previous CT examination was an independent predictor for PIIF (p = 0.04). Patients who had not previously received chest CT examinations within 1 year had a statistically significantly higher risk of PIIF than those who had received CT examinations within 6 months (odds ratio, 3.54; 95% confidence interval, 1.32-9.50; p = 0.01). Conclusions: The rate of incidental findings prompting a change in management was low. However, radiation oncologists appear to have some difficulty in detecting incidental findings that require a change in management. Considering cost, it may be reasonable that routine interpretations are given to those who have not received previous chest CT examinations within 1 year.« less

Do Adaptive Representations of the Item-Position Effect in APM Improve Model Fit? A Simulation Study

ERIC Educational Resources Information Center

Zeller, Florian; Krampen, Dorothea; Reiß, Siegbert; Schweizer, Karl

2017-01-01

The item-position effect describes how an item's position within a test, that is, the number of previous completed items, affects the response to this item. Previously, this effect was represented by constraints reflecting simple courses, for example, a linear increase. Due to the inflexibility of these representations our aim was to examine…

Planetary Boundary Layer Simulation Using TASS

NASA Technical Reports Server (NTRS)

Schowalter, David G.; DeCroix, David S.; Lin, Yuh-Lang; Arya, S. Pal; Kaplan, Michael

1996-01-01

Boundary conditions to an existing large-eddy simulation model have been changed in order to simulate turbulence in the atmospheric boundary layer. Several options are now available, including the use of a surface energy balance. In addition, we compare convective boundary layer simulations with the Wangara and Minnesota field experiments as well as with other model results. We find excellent agreement of modelled mean profiles of wind and temperature with observations and good agreement for velocity variances. Neutral boundary simulation results are compared with theory and with previously used models. Agreement with theory is reasonable, while agreement with previous models is excellent.

Minimum MD simulation length required to achieve reliable results in free energy perturbation calculations: case study of relative binding free energies of fructose-1,6-bisphosphatase inhibitors.

PubMed

Rathore, R S; Aparoy, P; Reddanna, P; Kondapi, A K; Reddy, M Rami

2011-07-30

In an attempt to establish the criteria for the length of simulation to achieve the desired convergence of free energy calculations, two studies were carried out on chosen complexes of FBPase-AMP mimics. Calculations were performed for varied length of simulations and for different starting configurations using both conventional- and QM/MM-FEP methods. The results demonstrate that for small perturbations, 1248 ps simulation time could be regarded a reasonable yardstick to achieve convergence of the results. As the simulation time is extended, the errors associated with free energy calculations also gradually tapers off. Moreover, when starting the simulation from different initial configurations of the systems, the results are not changed significantly, when performed for 1248 ps. This study carried on FBPase-AMP mimics corroborates well with our previous successful demonstration of requirement of simulation time for solvation studies, both by conventional and ab initio FEP. The establishment of aforementioned criteria of simulation length serves a useful benchmark in drug design efforts using FEP methodologies, to draw a meaningful and unequivocal conclusion. Copyright © 2011 Wiley Periodicals, Inc.

WEST-3 wind turbine simulator development. Volume 2: Verification

NASA Technical Reports Server (NTRS)

Sridhar, S.

1985-01-01

The details of a study to validate WEST-3, a new time wind turbine simulator developed by Paragib Pacific Inc., are presented in this report. For the validation, the MOD-0 wind turbine was simulated on WEST-3. The simulation results were compared with those obtained from previous MOD-0 simulations, and with test data measured during MOD-0 operations. The study was successful in achieving the major objective of proving that WEST-3 yields results which can be used to support a wind turbine development process. The blade bending moments, peak and cyclic, from the WEST-3 simulation correlated reasonably well with the available MOD-0 data. The simulation was also able to predict the resonance phenomena observed during MOD-0 operations. Also presented in the report is a description and solution of a serious numerical instability problem encountered during the study. The problem was caused by the coupling of the rotor and the power train models. The results of the study indicate that some parts of the existing WEST-3 simulation model may have to be refined for future work; specifically, the aerodynamics and procedure used to couple the rotor model with the tower and the power train models.

Simulator test to study hot-flow problems related to a gas cooled reactor

NASA Technical Reports Server (NTRS)

Poole, J. W.; Freeman, M. P.; Doak, K. W.; Thorpe, M. L.

1973-01-01

An advance study of materials, fuel injection, and hot flow problems related to the gas core nuclear rocket is reported. The first task was to test a previously constructed induction heated plasma GCNR simulator above 300 kW. A number of tests are reported operating in the range of 300 kW at 10,000 cps. A second simulator was designed but not constructed for cold-hot visualization studies using louvered walls. A third task was a paper investigation of practical uranium feed systems, including a detailed discussion of related problems. The last assignment resulted in two designs for plasma nozzle test devices that could be operated at 200 atm on hydrogen.

Simulator Evaluation of Runway Incursion Prevention Technology for General Aviation Operations

NASA Technical Reports Server (NTRS)

Jones, Denise R.; Prinzel, Lawrence J., III

2011-01-01

A Runway Incursion Prevention System (RIPS) has been designed under previous research to enhance airport surface operations situation awareness and provide cockpit alerts of potential runway conflict, during transport aircraft category operations, in order to prevent runway incidents while also improving operations capability. This study investigated an adaptation of RIPS for low-end general aviation operations using a fixed-based simulator at the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC). The purpose of the study was to evaluate modified RIPS aircraft-based incursion detection algorithms and associated alerting and airport surface display concepts for low-end general aviation operations. This paper gives an overview of the system, simulation study, and test results.

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.

A simulation study of homogeneous ice nucleation in supercooled salty water

NASA Astrophysics Data System (ADS)

Soria, Guiomar D.; Espinosa, Jorge R.; Ramirez, Jorge; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

2018-06-01

We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.

A simulation study of homogeneous ice nucleation in supercooled salty water.

PubMed

Soria, Guiomar D; Espinosa, Jorge R; Ramirez, Jorge; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

2018-06-14

We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.

On magnetic field amplification and particle acceleration near non-relativistic astrophysical shocks: particles in MHD cells simulations

NASA Astrophysics Data System (ADS)

van Marle, Allard Jan; Casse, Fabien; Marcowith, Alexandre

2018-01-01

We present simulations of magnetized astrophysical shocks taking into account the interplay between the thermal plasma of the shock and suprathermal particles. Such interaction is depicted by combining a grid-based magnetohydrodynamics description of the thermal fluid with particle in cell techniques devoted to the dynamics of suprathermal particles. This approach, which incorporates the use of adaptive mesh refinement features, is potentially a key to simulate astrophysical systems on spatial scales that are beyond the reach of pure particle-in-cell simulations. We consider in this study non-relativistic shocks with various Alfvénic Mach numbers and magnetic field obliquity. We recover all the features of both magnetic field amplification and particle acceleration from previous studies when the magnetic field is parallel to the normal to the shock. In contrast with previous particle-in-cell-hybrid simulations, we find that particle acceleration and magnetic field amplification also occur when the magnetic field is oblique to the normal to the shock but on larger time-scales than in the parallel case. We show that in our simulations, the suprathermal particles are experiencing acceleration thanks to a pre-heating process of the particle similar to a shock drift acceleration leading to the corrugation of the shock front. Such oscillations of the shock front and the magnetic field locally help the particles to enter the upstream region and to initiate a non-resonant streaming instability and finally to induce diffuse particle acceleration.

The use of simulation in healthcare: from systems issues, to team building, to task training, to education and high stakes examinations.

PubMed

Orledge, Jeffrey; Phillips, William J; Murray, W Bosseau; Lerant, Anna

2012-08-01

Simulation in healthcare is becoming increasingly used. This review will spotlight some of the uses of simulation in healthcare training. Previously, evaluation of simulation training was typically from evaluations from trainees. Recent articles, however, have linked simulation training to actual patient outcomes and demonstrated skill retention up to 1 year. Objective measurements have demonstrated positive effects on healthcare education, have been successfully used in high stakes examinations, and have uncovered systems and patient safety issues. This article will review some recent studies showing how simulation can have a positive effect on patient outcomes and skill retention, uncover systems issues related to patient safety, and how simulation can be used in credentialing, and other high stakes examinations.

Three Dimensional Hybrid Simulations of Super-Alfvénic Laser Ablation Experiments in the Large Plasma Device

NASA Astrophysics Data System (ADS)

Clark, Stephen; Winske, Dan; Schaeffer, Derek; Everson, Erik; Bondarenko, Anton; Constantin, Carmen; Niemann, Christoph

2014-10-01

We present 3D hybrid simulations of laser produced expanding debris clouds propagating though a magnetized ambient plasma in the context of magnetized collisionless shocks. New results from the 3D code are compared to previously obtained simulation results using a 2D hybrid code. The 3D code is an extension of a previously developed 2D code developed at Los Alamos National Laboratory. It has been parallelized and ported to execute on a cluster environment. The new simulations are used to verify scaling relationships, such as shock onset time and coupling parameter (Rm /ρd), developed via 2D simulations. Previous 2D results focus primarily on laboratory shock formation relevant to experiments being performed on the Large Plasma Device, where the shock propagates across the magnetic field. The new 3D simulations show wave structure and dynamics oblique to the magnetic field that introduce new physics to be considered in future experiments.

Sea level rise from the Greenland Ice Sheet during the Eemian interglacial: Review of previous work with focus on the surface mass balance

NASA Astrophysics Data System (ADS)

Plach, Andreas; Hestnes Nisancioglu, Kerim

2016-04-01

The contribution from the Greenland Ice Sheet (GIS) to the global sea level rise during the Eemian interglacial (about 125,000 year ago) was the focus of many studies in the past. A main reason for the interest in this period is the considerable warmer climate during the Eemian which is often seen as an equivalent for possible future climate conditions. Simulated sea level rise during the Eemian can therefore be used to better understand a possible future sea level rise. The most recent assessment report of the Intergovernmental Panel on Climate Change (IPCC AR5) gives an overview of several studies and discusses the possible implications for a future sea level rise. The report also reveals the big differences between these studies in terms of simulated GIS extent and corresponding sea level rise. The present study gives a more exhaustive review of previous work discussing sea level rise from the GIS during the Eemian interglacial. The smallest extents of the GIS simulated by various authors are shown and summarized. A focus is thereby given to the methods used to calculate the surface mass balance. A hypothesis of the present work is that the varying results of the previous studies can largely be explained due to the various methods used to calculate the surface mass balance. In addition, as a first step for future work, the surface mass balance of the GIS for a proxy-data derived forcing ("index method") and a direct forcing with a General Circulation Model (GCM) are shown and discussed.

Enhanced thermoelectric performance of graphene nanoribbon-based devices

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

Hossain, Md Sharafat, E-mail: hossain@student.unimelb.edu.au; Huynh, Duc Hau; Nguyen, Phuong Duc

There have been numerous theoretical studies on exciting thermoelectric properties of graphene nano-ribbons (GNRs); however, most of these studies are mainly based on simulations. In this work, we measure and characterize the thermoelectric properties of GNRs and compare the results with theoretical predictions. Our experimental results verify that nano-structuring and patterning graphene into nano-ribbons significantly enhance its thermoelectric power, confirming previous predictions. Although patterning results in lower conductance (G), the overall power factor (S{sup 2}G) increases for nanoribbons. We demonstrate that edge roughness plays an important role in achieving such an enhanced performance and support it through first principles simulations.more » We show that uncontrolled edge roughness, which is considered detrimental in GNR-based electronic devices, leads to enhanced thermoelectric performance of GNR-based thermoelectric devices. The result validates previously reported theoretical studies of GNRs and demonstrates the potential of GNRs for the realization of highly efficient thermoelectric devices.« less

Role of Boundary Conditions in Monte Carlo Simulation of MEMS Devices

NASA Technical Reports Server (NTRS)

Nance, Robert P.; Hash, David B.; Hassan, H. A.

1997-01-01

A study is made of the issues surrounding prediction of microchannel flows using the direct simulation Monte Carlo method. This investigation includes the introduction and use of new inflow and outflow boundary conditions suitable for subsonic flows. A series of test simulations for a moderate-size microchannel indicates that a high degree of grid under-resolution in the streamwise direction may be tolerated without loss of accuracy. In addition, the results demonstrate the importance of physically correct boundary conditions, as well as possibilities for reducing the time associated with the transient phase of a simulation. These results imply that simulations of longer ducts may be more feasible than previously envisioned.

Inhomogeneities detection in annual precipitation time series in Portugal using direct sequential simulation

NASA Astrophysics Data System (ADS)

Caineta, Júlio; Ribeiro, Sara; Costa, Ana Cristina; Henriques, Roberto; Soares, Amílcar

2014-05-01

Climate data homogenisation is of major importance in monitoring climate change, the validation of weather forecasting, general circulation and regional atmospheric models, modelling of erosion, drought monitoring, among other studies of hydrological and environmental impacts. This happens because non-climate factors can cause time series discontinuities which may hide the true climatic signal and patterns, thus potentially bias the conclusions of those studies. In the last two decades, many methods have been developed to identify and remove these inhomogeneities. One of those is based on geostatistical simulation (DSS - direct sequential simulation), where local probability density functions (pdf) are calculated at candidate monitoring stations, using spatial and temporal neighbouring observations, and then are used for detection of inhomogeneities. This approach has been previously applied to detect inhomogeneities in four precipitation series (wet day count) from a network with 66 monitoring stations located in the southern region of Portugal (1980-2001). This study revealed promising results and the potential advantages of geostatistical techniques for inhomogeneities detection in climate time series. This work extends the case study presented before and investigates the application of the geostatistical stochastic approach to ten precipitation series that were previously classified as inhomogeneous by one of six absolute homogeneity tests (Mann-Kendall test, Wald-Wolfowitz runs test, Von Neumann ratio test, Standard normal homogeneity test (SNHT) for a single break, Pettit test, and Buishand range test). Moreover, a sensibility analysis is implemented to investigate the number of simulated realisations that should be used to accurately infer the local pdfs. Accordingly, the number of simulations per iteration is increased from 50 to 500, which resulted in a more representative local pdf. A set of default and recommended settings is provided, which will help other users to implement this method. The need of user intervention is reduced to a minimum through the usage of a cross-platform script. Finally, as in the previous study, the results are compared with those from the SNHT, Pettit and Buishand range tests, which were applied to composite (ratio) reference series. Acknowledgements: The authors gratefully acknowledge the financial support of "Fundação para a Ciência e Tecnologia" (FCT), Portugal, through the research project PTDC/GEO-MET/4026/2012 ("GSIMCLI - Geostatistical simulation with local distributions for the homogenization and interpolation of climate data").

Practical Unitary Simulator for Non-Markovian Complex Processes

NASA Astrophysics Data System (ADS)

Binder, Felix C.; Thompson, Jayne; Gu, Mile

2018-06-01

Stochastic processes are as ubiquitous throughout the quantitative sciences as they are notorious for being difficult to simulate and predict. In this Letter, we propose a unitary quantum simulator for discrete-time stochastic processes which requires less internal memory than any classical analogue throughout the simulation. The simulator's internal memory requirements equal those of the best previous quantum models. However, in contrast to previous models, it only requires a (small) finite-dimensional Hilbert space. Moreover, since the simulator operates unitarily throughout, it avoids any unnecessary information loss. We provide a stepwise construction for simulators for a large class of stochastic processes hence directly opening the possibility for experimental implementations with current platforms for quantum computation. The results are illustrated for an example process.

A weakly nonlinear theory for wave-vortex interactions in curved channel flow

NASA Technical Reports Server (NTRS)

Singer, Bart A.; Erlebacher, Gordon; Zang, Thomas A.

1992-01-01

A weakly nonlinear theory is developed to study the interaction of Tollmien-Schlichting (TS) waves and Dean vortices in curved channel flow. The predictions obtained from the theory agree well with results obtained from direct numerical simulations of curved channel flow, especially for low amplitude disturbances. Some discrepancies in the results of a previous theory with direct numerical simulations are resolved.

Identifying the Barriers to Using Games and Simulations in Education: Creating a Valid and Reliable Survey Instrument

ERIC Educational Resources Information Center

Justice, Lenora Jean

2012-01-01

The purpose of this study was to create a valid and reliable instrument to measure teacher perceived barriers to the adoption of games and simulations in instruction. Previous research, interviews with educators, a focus group, an expert review, and a think aloud protocol were used to design a survey instrument. After finalization, the survey was…

Simulated characteristics of the DEGAS γ-detector array

NASA Astrophysics Data System (ADS)

Li, G. S.; Lizarazo, C.; Gerl, J.; Kojouharov, I.; Schaffner, H.; Górska, M.; Pietralla, N.; Saha, S.; Liu, M. L.; Wang, J. G.

2018-05-01

The performance of the novel HPGe-Cluster array DEGAS to be used at FAIR has been studied through GEANT4 simulations using accurate geometries of most of the detector components. The simulation framework has been tested by comparing experimental data of various detector setups. The study showed that the DEGAS system could provide a clear improvement of the photo-peak efficiency compared to the previous RISING array. In addition, the active BGO Back-catcher could greatly enhance the background suppression capability. The add-back analysis revealed that even at a γ multiplicity of six the sensitivity is improved by adding back the energy depositions of the neighboring Ge crystals.

Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering

DOE PAGES

Wall, Michael E.; Van Benschoten, Andrew H.; Sauter, Nicholas K.; ...

2014-12-01

X-ray diffraction from protein crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering is limited to what is available in the mean electron density. The diffuse scattering arises from correlations in the electron density variations and therefore contains information about collective motions in proteins. Previous studies using molecular-dynamics (MD) simulations to model diffuse scattering have been hindered by insufficient sampling of the conformational ensemble. To overcome this issue, we have performed a 1.1-μs MD simulation of crystalline staphylococcal nuclease, providing 100-fold more sampling than previous studies. This simulation enables reproducible calculationsmore » of the diffuse intensity and predicts functionally important motions, including transitions among at least eight metastable states with different active-site geometries. The total diffuse intensity calculated using the MD model is highly correlated with the experimental data. In particular, there is excellent agreement for the isotropic component of the diffuse intensity, and substantial but weaker agreement for the anisotropic component. The decomposition of the MD model into protein and solvent components indicates that protein–solvent interactions contribute substantially to the overall diffuse intensity. In conclusion, diffuse scattering can be used to validate predictions from MD simulations and can provide information to improve MD models of protein motions.« less

Feasibility Assessment of CO2 Sequestration and Enhanced Recovery in Gas Shale Reservoirs

NASA Astrophysics Data System (ADS)

Vermylen, J. P.; Hagin, P. N.; Zoback, M. D.

2008-12-01

CO2 sequestration and enhanced methane recovery may be feasible in unconventional, organic-rich, gas shale reservoirs in which the methane is stored as an adsorbed phase. Previous studies have shown that organic-rich, Appalachian Devonian shales adsorb approximately five times more carbon dioxide than methane at reservoir conditions. However, the enhanced recovery and sequestration concept has not yet been tested for gas shale reservoirs under realistic flow and production conditions. Using the lessons learned from previous studies on enhanced coalbed methane (ECBM) as a starting point, we are conducting laboratory experiments, reservoir modeling, and fluid flow simulations to test the feasibility of sequestration and enhanced recovery in gas shales. Our laboratory work investigates both adsorption and mechanical properties of shale samples to use as inputs for fluid flow simulation. Static and dynamic mechanical properties of shale samples are measured using a triaxial press under realistic reservoir conditions with varying gas saturations and compositions. Adsorption is simultaneously measured using standard, static, volumetric techniques. Permeability is measured using pulse decay methods calibrated to standard Darcy flow measurements. Fluid flow simulations are conducted using the reservoir simulator GEM that has successfully modeled enhanced recovery in coal. The results of the flow simulation are combined with the laboratory results to determine if enhanced recovery and CO2 sequestration is feasible in gas shale reservoirs.

Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering

PubMed Central

Wall, Michael E.; Van Benschoten, Andrew H.; Sauter, Nicholas K.; Adams, Paul D.; Fraser, James S.; Terwilliger, Thomas C.

2014-01-01

X-ray diffraction from protein crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering is limited to what is available in the mean electron density. The diffuse scattering arises from correlations in the electron density variations and therefore contains information about collective motions in proteins. Previous studies using molecular-dynamics (MD) simulations to model diffuse scattering have been hindered by insufficient sampling of the conformational ensemble. To overcome this issue, we have performed a 1.1-μs MD simulation of crystalline staphylococcal nuclease, providing 100-fold more sampling than previous studies. This simulation enables reproducible calculations of the diffuse intensity and predicts functionally important motions, including transitions among at least eight metastable states with different active-site geometries. The total diffuse intensity calculated using the MD model is highly correlated with the experimental data. In particular, there is excellent agreement for the isotropic component of the diffuse intensity, and substantial but weaker agreement for the anisotropic component. Decomposition of the MD model into protein and solvent components indicates that protein–solvent interactions contribute substantially to the overall diffuse intensity. We conclude that diffuse scattering can be used to validate predictions from MD simulations and can provide information to improve MD models of protein motions. PMID:25453071

Migration of epoxidised soybean oil from PVC gaskets of commercial lids: simulation of migration under various conditions and screening of food products from Czech markets.

PubMed

Hanušová, Kristýna; Vrbík, Karel; Rajchl, Aleš; Dobiáš, Jaroslav; Sosnovcová, Jitka

2015-01-01

Previous studies have shown that a large number of polyvinylchloride (PVC) lid gaskets exceed the existing migration limits for epoxidised soybean oil (ESBO) and correct prediction of ESBO release into food therefore appears to be a difficult issue. ESBO migration from PVC gaskets of metal closures into food simulants and food products from the Czech market is evaluated during a survey in 2009 and subsequently one in 2012 to assess progress in lid manufacturing and official testing conditions. ESBO migration from lids into various food simulants was studied at various temperatures (25, 40 and 60°C) during storage times up to 12 months. ESBO released into food simulants or food products was transmethylated, derivatised and analysed by GC-MS. The levels of ESBO migration in foodstuffs in 2012 exceeded the specific migration limit (SML) in fewer products in comparison with the previous survey. However, most of the products were analysed at a time far from the expiry date and exceedance of the SML at the end of the product shelf life is not therefore excluded. More severe test conditions (60°C for 10 days) for specific migration given by the current European Union legislation (Regulation (EU) No. 10/2011) still seem to be insufficient for the simulation of ESBO migration during long-term storage.

Improved absolute calibration of LOPES measurements and its impact on the comparison with REAS 3.11 and CoREAS simulations

NASA Astrophysics Data System (ADS)

Apel, W. D.; Arteaga-Velázquez, J. C.; Bähren, L.; Bekk, K.; Bertaina, M.; Biermann, P. L.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Cantoni, E.; Chiavassa, A.; Daumiller, K.; de Souza, V.; Di Pierro, F.; Doll, P.; Engel, R.; Falcke, H.; Fuchs, B.; Gemmeke, H.; Grupen, C.; Haungs, A.; Heck, D.; Hiller, R.; Hörandel, J. R.; Horneffer, A.; Huber, D.; Huege, T.; Isar, P. G.; Kampert, K.-H.; Kang, D.; Krömer, O.; Kuijpers, J.; Link, K.; Łuczak, P.; Ludwig, M.; Mathes, H. J.; Melissas, M.; Morello, C.; Nehls, S.; Oehlschläger, J.; Palmieri, N.; Pierog, T.; Rautenberg, J.; Rebel, H.; Roth, M.; Rühle, C.; Saftoiu, A.; Schieler, H.; Schmidt, A.; Schoo, S.; Schröder, F. G.; Sima, O.; Toma, G.; Trinchero, G. C.; Weindl, A.; Wochele, J.; Zabierowski, J.; Zensus, J. A.

2016-02-01

LOPES was a digital antenna array detecting the radio emission of cosmic-ray air showers. The calibration of the absolute amplitude scale of the measurements was done using an external, commercial reference source, which emits a frequency comb with defined amplitudes. Recently, we obtained improved reference values by the manufacturer of the reference source, which significantly changed the absolute calibration of LOPES. We reanalyzed previously published LOPES measurements, studying the impact of the changed calibration. The main effect is an overall decrease of the LOPES amplitude scale by a factor of 2.6 ± 0.2, affecting all previously published values for measurements of the electric-field strength. This results in a major change in the conclusion of the paper 'Comparing LOPES measurements of air-shower radio emission with REAS 3.11 and CoREAS simulations' published by Apel et al. (2013) : With the revised calibration, LOPES measurements now are compatible with CoREAS simulations, but in tension with REAS 3.11 simulations. Since CoREAS is the latest version of the simulation code incorporating the current state of knowledge on the radio emission of air showers, this new result indicates that the absolute amplitude prediction of current simulations now is in agreement with experimental data.

Study of the L-mode tokamak plasma “shortfall” with local and global nonlinear gyrokinetic δf particle-in-cell simulation

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

Chowdhury, J.; Wan, Weigang; Chen, Yang

2014-11-15

The δ f particle-in-cell code GEM is used to study the transport “shortfall” problem of gyrokinetic simulations. In local simulations, the GEM results confirm the previously reported simulation results of DIII-D [Holland et al., Phys. Plasmas 16, 052301 (2009)] and Alcator C-Mod [Howard et al., Nucl. Fusion 53, 123011 (2013)] tokamaks with the continuum code GYRO. Namely, for DIII-D the simulations closely predict the ion heat flux at the core, while substantially underpredict transport towards the edge; while for Alcator C-Mod, the simulations show agreement with the experimental values of ion heat flux, at least within the range of experimental error.more » Global simulations are carried out for DIII-D L-mode plasmas to study the effect of edge turbulence on the outer core ion heat transport. The edge turbulence enhances the outer core ion heat transport through turbulence spreading. However, this edge turbulence spreading effect is not enough to explain the transport underprediction.« less

Directly comparing gravitational wave data to numerical relativity simulations: systematics

NASA Astrophysics Data System (ADS)

Lange, Jacob; O'Shaughnessy, Richard; Healy, James; Lousto, Carlos; Zlochower, Yosef; Shoemaker, Deirdre; Lovelace, Geoffrey; Pankow, Christopher; Brady, Patrick; Scheel, Mark; Pfeiffer, Harald; Ossokine, Serguei

2017-01-01

We compare synthetic data directly to complete numerical relativity simulations of binary black holes. In doing so, we circumvent ad-hoc approximations introduced in semi-analytical models previously used in gravitational wave parameter estimation and compare the data against the most accurate waveforms including higher modes. In this talk, we focus on the synthetic studies that test potential sources of systematic errors. We also run ``end-to-end'' studies of intrinsically different synthetic sources to show we can recover parameters for different systems.

Identifying secondary-school students' difficulties when reading visual representations displayed in physics simulations

NASA Astrophysics Data System (ADS)

López, Víctor; Pintó, Roser

2017-07-01

Computer simulations are often considered effective educational tools, since their visual and communicative power enable students to better understand physical systems and phenomena. However, previous studies have found that when students read visual representations some reading difficulties can arise, especially when these are complex or dynamic representations. We have analyzed how secondary-school students read the visual representations displayed in two PhET simulations (one addressing the friction-heating at microscopic level, and the other addressing the electromagnetic induction), and different typologies of reading difficulties have been identified: when reading the compositional structure of the representation, when giving appropriate relevance and semantic meaning to each visual element, and also when dealing with multiple representations and dynamic information. All students experienced at least one of these difficulties, and very similar difficulties appeared in the two groups of students, despite the different scientific content of the simulations. In conclusion, visualisation does not imply a full comprehension of the content of scientific simulations per se, and an effective reading process requires a set of reading skills, previous knowledge, attention, and external supports. Science teachers should bear in mind these issues in order to help students read images to take benefit of their educational potential.

Simulation of automatic precision departures and missed approaches using the microwave landing system

NASA Technical Reports Server (NTRS)

Feather, J. B.

1987-01-01

Results of simulated precision departures and missed approaches using MLS guidance concepts are presented. The study was conducted under the Terminal Configured Vehicle (TCV) Program, and is an extension of previous work by DAC under the Advanced Transport Operating System (ATOPS) Technology Studies Program. The study model included simulation of an MD-80 aircraft, an autopilot, and a MLS guidance computer that provided lateral and vertical steering commands. Precision departures were evaluated using a noise abatement procedure. Several curved path departures were simulated with MLS noise and under various environmental conditions. Missed approaches were considered for the same runway, where lateral MLS guidance maintained the aircraft along the extended runway centerline. In both the departures and the missed approach cases, pitch autopilot takeoff and go-around modes of operation were used in conjunction with MLS lateral guidance.

The Resource Usage Aware Backfilling

NASA Astrophysics Data System (ADS)

Guim, Francesc; Rodero, Ivan; Corbalan, Julita

Job scheduling policies for HPC centers have been extensively studied in the last few years, especially backfilling based policies. Almost all of these studies have been done using simulation tools. All the existent simulators use the runtime (either estimated or real) provided in the workload as a basis of their simulations. In our previous work we analyzed the impact on system performance of considering the resource sharing (memory bandwidth) of running jobs including a new resource model in the Alvio simulator. Based on this studies we proposed the LessConsume and LessConsume Threshold resource selection policies. Both are oriented to reduce the saturation of the shared resources thus increasing the performance of the system. The results showed how both resource allocation policies shown how the performance of the system can be improved by considering where the jobs are finally allocated.

Numerical study of rotating detonation engine with an array of injection holes

NASA Astrophysics Data System (ADS)

Yao, S.; Han, X.; Liu, Y.; Wang, J.

2017-05-01

This paper aims to adopt the method of injection via an array of holes in three-dimensional numerical simulations of a rotating detonation engine (RDE). The calculation is based on the Euler equations coupled with a one-step Arrhenius chemistry model. A pre-mixed stoichiometric hydrogen-air mixture is used. The present study uses a more practical fuel injection method in RDE simulations, injection via an array of holes, which is different from the previous conventional simulations where a relatively simple full injection method is usually adopted. The computational results capture some important experimental observations and a transient period after initiation. These phenomena are usually absent in conventional RDE simulations due to the use of an idealistic injection approximation. The results are compared with those obtained from other numerical studies and experiments with RDEs.

Conserved directed percolation: exact quasistationary distribution of small systems and Monte Carlo simulations

NASA Astrophysics Data System (ADS)

César Mansur Filho, Júlio; Dickman, Ronald

2011-05-01

We study symmetric sleepy random walkers, a model exhibiting an absorbing-state phase transition in the conserved directed percolation (CDP) universality class. Unlike most examples of this class studied previously, this model possesses a continuously variable control parameter, facilitating analysis of critical properties. We study the model using two complementary approaches: analysis of the numerically exact quasistationary (QS) probability distribution on rings of up to 22 sites, and Monte Carlo simulation of systems of up to 32 000 sites. The resulting estimates for critical exponents β, \\beta /\

Further developments in cloud statistics for computer simulations

NASA Technical Reports Server (NTRS)

Chang, D. T.; Willand, J. H.

1972-01-01

This study is a part of NASA's continued program to provide global statistics of cloud parameters for computer simulation. The primary emphasis was on the development of the data bank of the global statistical distributions of cloud types and cloud layers and their applications in the simulation of the vertical distributions of in-cloud parameters such as liquid water content. These statistics were compiled from actual surface observations as recorded in Standard WBAN forms. Data for a total of 19 stations were obtained and reduced. These stations were selected to be representative of the 19 primary cloud climatological regions defined in previous studies of cloud statistics. Using the data compiled in this study, a limited study was conducted of the hemogeneity of cloud regions, the latitudinal dependence of cloud-type distributions, the dependence of these statistics on sample size, and other factors in the statistics which are of significance to the problem of simulation. The application of the statistics in cloud simulation was investigated. In particular, the inclusion of the new statistics in an expanded multi-step Monte Carlo simulation scheme is suggested and briefly outlined.

Assessment of NASA GISS CMIP5 and Post-CMIP5 Simulated Clouds and TOA Radiation Budgets Using Satellite Observations. Part I: Cloud Fraction and Properties

NASA Technical Reports Server (NTRS)

Stanfield, Ryan E.; Dong, Xiquan; Xi, Baike; Kennedy, Aaron; Del Genio, Anthony D.; Minnia, Patrick; Jiang, Jonathan H.

2014-01-01

Although many improvements have been made in phase 5 of the Coupled Model Intercomparison Project (CMIP5), clouds remain a significant source of uncertainty in general circulation models (GCMs) because their structural and optical properties are strongly dependent upon interactions between aerosol/cloud microphysics and dynamics that are unresolved in such models. Recent changes to the planetary boundary layer (PBL) turbulence and moist convection parameterizations in the NASA GISS Model E2 atmospheric GCM(post-CMIP5, hereafter P5) have improved cloud simulations significantly compared to its CMIP5 (hereafter C5) predecessor. A study has been performed to evaluate these changes between the P5 and C5 versions of the GCM, both of which used prescribed sea surface temperatures. P5 and C5 simulated cloud fraction (CF), liquid water path (LWP), ice water path (IWP), cloud water path (CWP), precipitable water vapor (PWV), and relative humidity (RH) have been compared to multiple satellite observations including the Clouds and the Earth's Radiant Energy System-Moderate Resolution Imaging Spectroradiometer (CERES-MODIS, hereafter CM), CloudSat- Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO; hereafter CC), Atmospheric Infrared Sounder (AIRS), and Advanced Microwave Scanning Radiometer for Earth Observing System (AMSR-E). Although some improvements are observed in the P5 simulation on a global scale, large improvements have been found over the southern midlatitudes (SMLs), where correlations increased and both bias and root-mean-square error (RMSE) significantly decreased, in relation to the previous C5 simulation, when compared to observations. Changes to the PBL scheme have resulted in improved total column CFs, particularly over the SMLs where marine boundary layer (MBL) CFs have increased by nearly 20% relative to the previous C5 simulation. Globally, the P5 simulated CWPs are 25 gm22 lower than the previous C5 results. The P5 version of the GCM simulates PWV and RH higher than its C5 counterpart and agrees well with the AMSR-E and AIRS observations. The moister atmospheric conditions simulated by P5 are consistent with the CF comparison and provide a strong support for the increase in MBL clouds over the SMLs. Over the tropics, the P5 version of the GCM simulated total column CFs and CWPs are slightly lower than the previous C5 results, primarily as a result of the shallower tropical boundary layer in P5 relative to C5 in regions outside the marine stratocumulus decks.

Autonomous Aerobraking: Thermal Analysis and Response Surface Development

NASA Technical Reports Server (NTRS)

Dec, John A.; Thornblom, Mark N.

2011-01-01

A high-fidelity thermal model of the Mars Reconnaissance Orbiter was developed for use in an autonomous aerobraking simulation study. Response surface equations were derived from the high-fidelity thermal model and integrated into the autonomous aerobraking simulation software. The high-fidelity thermal model was developed using the Thermal Desktop software and used in all phases of the analysis. The use of Thermal Desktop exclusively, represented a change from previously developed aerobraking thermal analysis methodologies. Comparisons were made between the Thermal Desktop solutions and those developed for the previous aerobraking thermal analyses performed on the Mars Reconnaissance Orbiter during aerobraking operations. A variable sensitivity screening study was performed to reduce the number of variables carried in the response surface equations. Thermal analysis and response surface equation development were performed for autonomous aerobraking missions at Mars and Venus.

Surface order in cold liquids: X-ray reflectivity studies of dielectric liquids and comparison to liquid metals

NASA Astrophysics Data System (ADS)

Chattopadhyay, Sudeshna; Uysal, Ahmet; Stripe, Benjamin; Ehrlich, Steven; Karapetrova, Evguenia A.; Dutta, Pulak

2010-05-01

Oscillatory surface-density profiles (layers) have previously been reported in several metallic liquids, one dielectric liquid, and in computer simulations of dielectric liquids. We have now seen surface layers in two other dielectric liquids, pentaphenyl trimethyl trisiloxane, and pentavinyl pentamethyl cyclopentasiloxane. These layers appear below T˜285K and T˜130K , respectively; both thresholds correspond to T/Tc˜0.2 where Tc is the liquid-gas critical temperature. All metallic and dielectric liquid surfaces previously studied are also consistent with the existence of this T/Tc threshold, first indicated by the simulations of Chacón [Phys. Rev. Lett. 87, 166101 (2001)]. The layer width parameters, determined using a distorted-crystal fitting model, follow common trends as functions of Tc for both metallic and dielectric liquids.

Modelling the effect of soil moisture and organic matter degradation on biogenic NO emissions from soils in Sahel rangeland (Mali)

NASA Astrophysics Data System (ADS)

Delon, C.; Mougin, E.; Serça, D.; Grippa, M.; Hiernaux, P.; Diawara, M.; Galy-Lacaux, C.; Kergoat, L.

2015-06-01

This work is an attempt to provide seasonal variation of biogenic NO emission fluxes in a Sahelian rangeland in Mali (Agoufou, 15.34° N, 1.48° W) for years 2004, 2005, 2006, 2007 and 2008. Indeed, NO is one of the most important precursors for tropospheric ozone, and previous studies have shown that arid areas potentially display significant NO emissions (due to both biotic and abiotic processes). Previous campaigns in the Sahel suggest that the contribution of this region in emitting NO is no longer considered as negligible. However, very few data are available in this region, therefore this study focuses on model development. The link between NO production in the soil and NO release to the atmosphere is investigated in this modelling study, by taking into account vegetation litter production and degradation, microbial processes in the soil, emission fluxes, and environmental variables influencing these processes, using a coupled vegetation-litter decomposition-emission model. This model includes the Sahelian Transpiration Evaporation and Productivity (STEP) model for the simulation of herbaceous, tree leaf and faecal masses, the GENDEC model (GENeral DEComposition) for the simulation of the buried litter decomposition and microbial dynamics, and the NO emission model (NOFlux) for the simulation of the NO release to the atmosphere. Physical parameters (soil moisture and temperature, wind speed, sand percentage) which affect substrate diffusion and oxygen supply in the soil and influence the microbial activity, and biogeochemical parameters (pH and fertilization rate related to N content) are necessary to simulate the NO flux. The reliability of the simulated parameters is checked, in order to assess the robustness of the simulated NO flux. Simulated yearly average of NO flux ranges from 2.09 to 3.04 ng(N) m-2 s-1 (0.66 to 0.96 kg(N) ha-1 yr-1), and wet season average ranges from 3.36 to 5.48 ng(N) m-2 s-1 (1.06 to 1.73 kg(N) ha-1 yr-1). These results are of the same order as previous measurements made in several sites where the vegetation and the soil are comparable to the ones in Agoufou. This coupled vegetation-litter decomposition-emission model could be generalized at the scale of the Sahel region, and provide information where few data are available.

Transition between B-DNA and Z-DNA: free energy landscape for the B-Z junction propagation.

PubMed

Lee, Juyong; Kim, Yang-Gyun; Kim, Kyeong Kyu; Seok, Chaok

2010-08-05

Canonical, right-handed B-DNA can be transformed into noncanonical, left-handed Z-DNA in vitro at high salt concentrations or in vivo under physiological conditions. The molecular mechanism of this drastic conformational transition is still unknown despite numerous studies. Inspired by the crystal structure of a B-Z junction and the previous zipper model, we show here, with the aid of molecular dynamics simulations, that a stepwise propagation of a B-Z junction is a highly probable pathway for the B-Z transition. In this paper, the movement of a B-Z junction by a two-base-pair step in a double-strand nonamer, [d(GpCpGpCpGpCpGpCpG)](2), is considered. Targeted molecular dynamics simulations and umbrella sampling for this transition resulted in a transition pathway with a free energy barrier of 13 kcal/mol. This barrier is much more favorable than those obtained from previous atomistic simulations that lead to concerted transitions of the whole strands. The free energy difference between B-DNA and Z-DNA evaluated from our simulation is 0.9 kcal/mol per dinucleotide unit, which is consistent with previous experiments. The current computation thus strongly supports the proposal that the B-Z transition involves a relatively fast extension of B-DNA or Z-DNA by sequential propagation of B-Z junctions once nucleation of junctions is established.

Cascade Defect Evolution Processes: Comparison of Atomistic Methods

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

Xu, Haixuan; Stoller, Roger E; Osetskiy, Yury N

2013-11-01

Determining the defect evolution beyond the molecular dynamics (MD) time scale is critical in bridging the gap between atomistic simulations and experiments. The recently developed self-evolving atomistic kinetic Monte Carlo (SEAKMC) method provides new opportunities to simulate long-term defect evolution with MD-like fidelity. In this study, SEAKMC is applied to investigate the cascade defect evolution in bcc iron. First, the evolution of a vacancy rich region is simulated and compared with results obtained using autonomous basin climbing (ABC) +KMC and kinetic activation-relaxation technique (kART) simulations. Previously, it is found the results from kART are orders of magnitude faster than ABC+KMC.more » The results obtained from SEAKMC are similar to kART but the time predicted is about one order of magnitude faster than kART. The fidelity of SEAKMC is confirmed by statistically relevant MD simulations at multiple higher temperatures, which proves that the saddle point sampling is close to complete in SEAKMC. The second is the irradiation-induced formation of C15 Laves phase nano-size defect clusters. In contrast to previous studies, which claim the defects can grow by capturing self-interstitials, we found these highly stable clusters can transform to <111> glissile configuration on a much longer time scale. Finally, cascade-annealing simulations using SEAKMC is compared with traditional object KMC (OKMC) method. SEAKMC predicts substantially fewer surviving defects compared with OKMC. The possible origin of this difference is discussed and a possible way to improve the accuracy of OKMC based on SEAKMC results is outlined. These studies demonstrate the atomistic fidelity of SEAKMC in comparison with other on-the-fly KMC methods and provide new information on long-term defect evolution in iron.« less

Validation of SWAT+ at field level and comparison with previous SWAT models in simulating hydrologic quantity

NASA Astrophysics Data System (ADS)

GAO, J.; White, M. J.; Bieger, K.; Yen, H.; Arnold, J. G.

2017-12-01

Over the past 20 years, the Soil and Water Assessment Tool (SWAT) has been adopted by many researches to assess water quantity and quality in watersheds around the world. As the demand increases in facilitating model support, maintenance, and future development, the SWAT source code and data have undergone major modifications over the past few years. To make the model more flexible in terms of interactions of spatial units and processes occurring in watersheds, a completely revised version of SWAT (SWAT+) was developed to improve SWAT's ability in water resource modelling and management. There are only several applications of SWAT+ in large watersheds, however, no study pays attention to validate the new model at field level and assess its performance. To test the basic hydrologic function of SWAT+, it was implemented in five field cases across five states in the U.S. and compared the SWAT+ created results with that from the previous models at the same fields. Additionally, an automatic calibration tool was used to test which model is easier to be calibrated well in a limited number of parameter adjustments. The goal of the study was to evaluate the performance of SWAT+ in simulating stream flow on field level at different geographical locations. The results demonstrate that SWAT+ demonstrated similar performance with previous SWAT model, but the flexibility offered by SWAT+ via the connection of different spatial objects can result in a more accurate simulation of hydrological processes in spatial, especially for watershed with artificial facilities. Autocalibration shows that SWAT+ is much easier to obtain a satisfied result compared with the previous SWAT. Although many capabilities have already been enhanced in SWAT+, there exist inaccuracies in simulation. This insufficiency will be improved with advancements in scientific knowledge on hydrologic process in specific watersheds. Currently, SWAT+ is prerelease, and any errors are being addressed.

Fusion Simulation Project Workshop Report

NASA Astrophysics Data System (ADS)

Kritz, Arnold; Keyes, David

2009-03-01

The mission of the Fusion Simulation Project is to develop a predictive capability for the integrated modeling of magnetically confined plasmas. This FSP report adds to the previous activities that defined an approach to integrated modeling in magnetic fusion. These previous activities included a Fusion Energy Sciences Advisory Committee panel that was charged to study integrated simulation in 2002. The report of that panel [Journal of Fusion Energy 20, 135 (2001)] recommended the prompt initiation of a Fusion Simulation Project. In 2003, the Office of Fusion Energy Sciences formed a steering committee that developed a project vision, roadmap, and governance concepts [Journal of Fusion Energy 23, 1 (2004)]. The current FSP planning effort involved 46 physicists, applied mathematicians and computer scientists, from 21 institutions, formed into four panels and a coordinating committee. These panels were constituted to consider: Status of Physics Components, Required Computational and Applied Mathematics Tools, Integration and Management of Code Components, and Project Structure and Management. The ideas, reported here, are the products of these panels, working together over several months and culminating in a 3-day workshop in May 2007.

The simulation library of the Belle II software system

NASA Astrophysics Data System (ADS)

Kim, D. Y.; Ritter, M.; Bilka, T.; Bobrov, A.; Casarosa, G.; Chilikin, K.; Ferber, T.; Godang, R.; Jaegle, I.; Kandra, J.; Kodys, P.; Kuhr, T.; Kvasnicka, P.; Nakayama, H.; Piilonen, L.; Pulvermacher, C.; Santelj, L.; Schwenker, B.; Sibidanov, A.; Soloviev, Y.; Starič, M.; Uglov, T.

2017-10-01

SuperKEKB, the next generation B factory, has been constructed in Japan as an upgrade of KEKB. This brand new e+ e- collider is expected to deliver a very large data set for the Belle II experiment, which will be 50 times larger than the previous Belle sample. Both the triggered physics event rate and the background event rate will be increased by at least 10 times than the previous ones, and will create a challenging data taking environment for the Belle II detector. The software system of the Belle II experiment is designed to execute this ambitious plan. A full detector simulation library, which is a part of the Belle II software system, is created based on Geant4 and has been tested thoroughly. Recently the library has been upgraded with Geant4 version 10.1. The library is behaving as expected and it is utilized actively in producing Monte Carlo data sets for various studies. In this paper, we will explain the structure of the simulation library and the various interfaces to other packages including geometry and beam background simulation.

Hierarchical lattice models of hydrogen-bond networks in water

NASA Astrophysics Data System (ADS)

Dandekar, Rahul; Hassanali, Ali A.

2018-06-01

We develop a graph-based model of the hydrogen-bond network in water, with a view toward quantitatively modeling the molecular-level correlational structure of the network. The networks formed are studied by the constructing the model on two infinite-dimensional lattices. Our models are built bottom up, based on microscopic information coming from atomistic simulations, and we show that the predictions of the model are consistent with known results from ab initio simulations of liquid water. We show that simple entropic models can predict the correlations and clustering of local-coordination defects around tetrahedral waters observed in the atomistic simulations. We also find that orientational correlations between bonds are longer ranged than density correlations, determine the directional correlations within closed loops, and show that the patterns of water wires within these structures are also consistent with previous atomistic simulations. Our models show the existence of density and compressibility anomalies, as seen in the real liquid, and the phase diagram of these models is consistent with the singularity-free scenario previously proposed by Sastry and coworkers [Phys. Rev. E 53, 6144 (1996), 10.1103/PhysRevE.53.6144].

Advanced designs for non-imaging submillimeter-wave Winston cone concentrators

NASA Astrophysics Data System (ADS)

Nelson, A. O.; Grossman, E. N.

2014-05-01

We describe the design and simulation of several non-imaging concentrators designed to couple submillimeter wavelength radiation from free space into highly overmoded, rectangular, WR-10 waveguide. Previous designs are altered to improve the uniformity of efficiency rather than the efficiency itself. The concentrators are intended for use as adapters between instruments using overmoded WR-10 waveguide as input or output and sources propagating through free space. Previous simulation and measurement have shown that the angular response is primarily determined by the Winston cone and is well predicted by geometric optics theory while the efficiencies are primarily determined by the transition section. Additionally, previous work has shown insensitivity to polarization, orientation and beam size. Several separate concentrator designs are studied, all of which use a Winston cone (also known as a compound parabolic concentrator) with an input diameter ranging from 4 mm to 16 mm, and "throat" diameters of less than 0.5 mm to 4 mm as the initial interface. The use of various length adiabatic circular-to-rectangular transition sections is investigated, along with the effect of an additional, 25 mm waveguide section designed to model the internal waveguide of the power meter. Adapters without a transition section and a rectangular Winston cone throat aperture and double cone configurations are also studied. Adapters are analyzed in simulation for consistent efficiency across the opening aperture.

Can We Study Autonomous Driving Comfort in Moving-Base Driving Simulators? A Validation Study.

PubMed

Bellem, Hanna; Klüver, Malte; Schrauf, Michael; Schöner, Hans-Peter; Hecht, Heiko; Krems, Josef F

2017-05-01

To lay the basis of studying autonomous driving comfort using driving simulators, we assessed the behavioral validity of two moving-base simulator configurations by contrasting them with a test-track setting. With increasing level of automation, driving comfort becomes increasingly important. Simulators provide a safe environment to study perceived comfort in autonomous driving. To date, however, no studies were conducted in relation to comfort in autonomous driving to determine the extent to which results from simulator studies can be transferred to on-road driving conditions. Participants ( N = 72) experienced six differently parameterized lane-change and deceleration maneuvers and subsequently rated the comfort of each scenario. One group of participants experienced the maneuvers on a test-track setting, whereas two other groups experienced them in one of two moving-base simulator configurations. We could demonstrate relative and absolute validity for one of the two simulator configurations. Subsequent analyses revealed that the validity of the simulator highly depends on the parameterization of the motion system. Moving-base simulation can be a useful research tool to study driving comfort in autonomous vehicles. However, our results point at a preference for subunity scaling factors for both lateral and longitudinal motion cues, which might be explained by an underestimation of speed in virtual environments. In line with previous studies, we recommend lateral- and longitudinal-motion scaling factors of approximately 50% to 60% in order to obtain valid results for both active and passive driving tasks.

The dual-basin landscape in GFP folding

PubMed Central

Andrews, Benjamin T.; Gosavi, Shachi; Finke, John M.; Onuchic, José N.; Jennings, Patricia A.

2008-01-01

Recent experimental studies suggest that the mature GFP has an unconventional landscape composed of an early folding event with a typical funneled landscape, followed by a very slow search and rearrangement step into the locked, active chromophore-containing structure. As we have shown previously, the substantial difference in time scales is what generates the observed hysteresis in thermodynamic folding. The interconversion between locked and the soft folding structures at intermediate denaturant concentrations is so slow that it is not observed under the typical experimental observation time. Simulations of a coarse-grained model were used to describe the fast folding event as well as identify native-like intermediates on energy landscapes enroute to the fluorescent native fold. Interestingly, these simulations reveal structural features of the slow dynamic transition to chromophore activation. Experimental evidence presented here shows that the trapped, native-like intermediate has structural heterogeneity in residues previously linked to chromophore formation. We propose that the final step of GFP folding is a “locking” mechanism leading to chromophore formation and high stability. The combination of previous experimental work and current simulation work is explained in the context of a dual-basin folding mechanism described above. PMID:18713871

Computer simulation on the collision-sticking dynamics of two colloidal particles in an optical trap.

PubMed

Xu, Shenghua; Sun, Zhiwei

2007-04-14

Collisions of a particle pair induced by optical tweezers have been employed to study colloidal stability. In order to deepen insights regarding the collision-sticking dynamics of a particle pair in the optical trap that were observed in experimental approaches at the particle level, the authors carry out a Brownian dynamics simulation. In the simulation, various contributing factors, including the Derjaguin-Landau-Verwey-Overbeek interaction of particles, hydrodynamic interactions, optical trapping forces on the two particles, and the Brownian motion, were all taken into account. The simulation reproduces the tendencies of the accumulated sticking probability during the trapping duration for the trapped particle pair described in our previous study and provides an explanation for why the two entangled particles in the trap experience two different statuses.

Physical robustness of canopy temperature models for crop heat stress simulation across environments and production conditions

USDA-ARS?s Scientific Manuscript database

Despite widespread application in studying climate change impacts, most crop models ignore complex interactions among air temperature, crop and soil water status, CO2 concentration and atmospheric conditions that influence crop canopy temperature. The current study extended previous studies by evalu...

Accuracy of Monte Carlo simulations compared to in-vivo MDCT dosimetry.

PubMed

Bostani, Maryam; Mueller, Jonathon W; McMillan, Kyle; Cody, Dianna D; Cagnon, Chris H; DeMarco, John J; McNitt-Gray, Michael F

2015-02-01

The purpose of this study was to assess the accuracy of a Monte Carlo simulation-based method for estimating radiation dose from multidetector computed tomography (MDCT) by comparing simulated doses in ten patients to in-vivo dose measurements. MD Anderson Cancer Center Institutional Review Board approved the acquisition of in-vivo rectal dose measurements in a pilot study of ten patients undergoing virtual colonoscopy. The dose measurements were obtained by affixing TLD capsules to the inner lumen of rectal catheters. Voxelized patient models were generated from the MDCT images of the ten patients, and the dose to the TLD for all exposures was estimated using Monte Carlo based simulations. The Monte Carlo simulation results were compared to the in-vivo dose measurements to determine accuracy. The calculated mean percent difference between TLD measurements and Monte Carlo simulations was -4.9% with standard deviation of 8.7% and a range of -22.7% to 5.7%. The results of this study demonstrate very good agreement between simulated and measured doses in-vivo. Taken together with previous validation efforts, this work demonstrates that the Monte Carlo simulation methods can provide accurate estimates of radiation dose in patients undergoing CT examinations.

A Dynamic Simulation of Musculoskeletal Function in the Mouse Hindlimb During Trotting Locomotion

PubMed Central

Charles, James P.; Cappellari, Ornella; Hutchinson, John R.

2018-01-01

Mice are often used as animal models of various human neuromuscular diseases, and analysis of these models often requires detailed gait analysis. However, little is known of the dynamics of the mouse musculoskeletal system during locomotion. In this study, we used computer optimization procedures to create a simulation of trotting in a mouse, using a previously developed mouse hindlimb musculoskeletal model in conjunction with new experimental data, allowing muscle forces, activation patterns, and levels of mechanical work to be estimated. Analyzing musculotendon unit (MTU) mechanical work throughout the stride allowed a deeper understanding of their respective functions, with the rectus femoris MTU dominating the generation of positive and negative mechanical work during the swing and stance phases. This analysis also tested previous functional inferences of the mouse hindlimb made from anatomical data alone, such as the existence of a proximo-distal gradient of muscle function, thought to reflect adaptations for energy-efficient locomotion. The results do not strongly support the presence of this gradient within the mouse musculoskeletal system, particularly given relatively high negative net work output from the ankle plantarflexor MTUs, although more detailed simulations could test this further. This modeling analysis lays a foundation for future studies of the control of vertebrate movement through the development of neuromechanical simulations. PMID:29868576

Numerical modeling of the fracture process in a three-unit all-ceramic fixed partial denture.

PubMed

Kou, Wen; Kou, Shaoquan; Liu, Hongyuan; Sjögren, Göran

2007-08-01

The main objectives were to examine the fracture mechanism and process of a ceramic fixed partial denture (FPD) framework under simulated mechanical loading using a recently developed numerical modeling code, the R-T(2D) code, and also to evaluate the suitability of R-T(2D) code as a tool for this purpose. Using the recently developed R-T(2D) code the fracture mechanism and process of a 3U yttria-tetragonal zirconia polycrystal ceramic (Y-TZP) FPD framework was simulated under static loading. In addition, the fracture pattern obtained using the numerical simulation was compared with the fracture pattern obtained in a previous laboratory test. The result revealed that the framework fracture pattern obtained using the numerical simulation agreed with that observed in a previous laboratory test. Quasi-photoelastic stress fringe pattern and acoustic emission showed that the fracture mechanism was tensile failure and that the crack started at the lower boundary of the framework. The fracture process could be followed both in step-by-step and step-in-step. Based on the findings in the current study, the R-T(2D) code seems suitable for use as a complement to other tests and clinical observations in studying stress distribution, fracture mechanism and fracture processes in ceramic FPD frameworks.

Experimental study of starting plumes simulating cumulus cloud flows in the atmosphere

NASA Astrophysics Data System (ADS)

Subrahmanyam, Duvvuri; Sreenivas, K. R.; Bhat, G. S.; Diwan, S. S.; Narasimha, Roddam

2009-11-01

Turbulent jets and plumes subjected to off-source volumetric heating have been studied experimentally and numerically by Narasimha and co-workers and others over the past two decades. The off-source heating attempts to simulate the latent heat release that occurs in cumulus clouds on condensation of water vapour. This heat release plays a crucial role in determining the overall cloud shape among other things. Previous studies investigated steady state jets and plumes that had attained similarity upstream of heat injection. A better understanding and appreciation of the fluid dynamics of cumulus clouds should be possible by study of starting plumes. Experiments have been set up at JNCASR (Bangalore) using experimental techniques developed previously but incorporating various improvements. Till date, experiments have been performed on plumes at Re of 1000 and 2250, with three different heating levels in each case. Axial sections of the flow have been studied using standard PLIF techniques. The flow visualization provides us with data on the temporal evolution of the starting plume. It is observed that the broad nature of the effect of off-source heating on the starting plumes is generally consistent with the results obtained previously on steady state flows. More complete results and a critical discussion will be presented at the upcoming meeting.

Simulated spaceflight effects on mating and pregnancy of rats

NASA Technical Reports Server (NTRS)

Sabelman, E. E.; Chetirkin, P. V.; Howard, R. M.

1981-01-01

The mating of rats was studied to determine the effects of: simulated reentry stresses at known stages of pregnancy, and full flight simulation, consisting of sequential launch stresses, group housing, mating opportunity, diet, simulated reentry, and postreentry isolation of male and female rats. Uterine contents, adrenal mass and abdominal fat as a proportion of body mass, duration of pregnancy, and number and sex of offspring were studied. It is found that: (1) parturition following full flight simulation was delayed relative to that of controls; (2) litter size was reduced and resorptions increased compared with previous matings in the same group of animals; and (3) abdominal fat was highly elevated in animals that were fed the Soviet paste diet. It is suggested that the combined effects of diet, stress, spacecraft environment, and weightlessness decreased the probability of mating or of viable pregnancies in the Cosmos 1129 flight and control animals.

Payload crew training complex simulation engineer's handbook

NASA Technical Reports Server (NTRS)

Shipman, D. L.

1984-01-01

The Simulation Engineer's Handbook is a guide for new engineers assigned to Experiment Simulation and a reference for engineers previously assigned. The experiment simulation process, development of experiment simulator requirements, development of experiment simulator hardware and software, and the verification of experiment simulators are discussed. The training required for experiment simulation is extensive and is only referenced in the handbook.

Dynamical Evolution of Planetesimals in the Outer Solar System. II. The Saturn/Uranus and Uranus/Neptune Zones

NASA Astrophysics Data System (ADS)

Grazier, Kevin R.; Newman, William I.; Varadi, Ferenc; Kaula, William M.; Hyman, James M.

1999-08-01

We report on numerical simulations exploring the dynamical stability of planetesimals in the gaps between the outer Solar System planets. We search for stable niches in the Saturn/Uranus and Uranus/Neptune zones by employing 10,000 massless particles-many more than previous studies in these two zones-using high-order optimized multistep integration schemes coupled with roundoff error minimizing methods. An additional feature of this study, differing from its predecessors, is the fact that our initial distributions contain particles on orbits which are both inclined and noncircular. These initial distributions were also Gaussian distributed such that the Gaussian peaks were at the midpoint between the neighboring perturbers. The simulations showed an initial transient phase where the bulk of the primordial planetesimal swarm was removed from the Solar System within 105 years. This is about 10 times longer than we observed in our previous Jupiter/Saturn studies. Next, there was a gravitational relaxation phase where the particles underwent a random walk in momentum space and were exponentially eliminated by random encounters with the planets. Unlike our previous Jupiter/Saturn simulation, the particles did not fully relax into a third Lagrangian niche phase where long-lived particles are at Lagrange points or stable niches. This is either because the Lagrangian niche phase never occurs or because these simulations did not have enough particles for this third phase to manifest. In these simulations, there was a general trend for the particles to migrate outward and eventually to be cleared out by the outermost planet in the zone. We confirmed that particles with higher eccentricities had shorter lifetimes and that the resonances between the jovian planets "pumped up" the eccentricities of the planetesimals with low-inclination orbits more than those with higher inclinations. We estimated the expected lifetime of particles using kinetic theory and even though the time scale of the Uranus/Neptune simulation was 380 times longer than our previous Jupiter/Saturn simulation, the planetesimals in the Uranus/Neptune zone were cleared out more quickly than those in the Saturn/Uranus zone because of the positions of resonances with the jovian planets. These resonances had an even greater effect than random gravitational stirring in the winnowing process and confirm that all the jovian planets are necessary in long simulations. Even though we observed several long-lived zones near 12.5, 14.4, 16, 24.5, and 26 AU, only two particles remained at the end of the 109-year integration: one near the 2 : 3 Saturn resonance, and the other near the Neptune 1 : 1 resonance. This suggests that niches for planetesimal material in the jovian planets are rare and may exist either only in extremely narrow bands or in the neighborhoods of the triangular Lagrange points of the outer planets.

Toward a detailed description of the pathways of allosteric communication in the GroEL chaperonin through atomistic simulation.

PubMed

Piggot, Thomas J; Sessions, Richard B; Burston, Steven G

2012-02-28

GroEL, along with its coprotein GroES, is essential for ensuring the correct folding of unfolded or newly synthesized proteins in bacteria. GroEL is a complex, allosteric molecule, composed of two heptameric rings stacked back to back, that undergoes large structural changes during its reaction cycle. These structural changes are driven by the cooperative binding and subsequent hydrolysis of ATP, by GroEL. Despite numerous previous studies, the precise mechanisms of allosteric communication and the associated structural changes remain elusive. In this paper, we describe a series of all-atom, unbiased, molecular dynamics simulations over relatively long (50-100 ns) time scales of a single, isolated GroEL subunit and also a heptameric GroEL ring, in the presence and absence of ATP. Combined with results from a distance restraint-biased simulation of the single ring, the atomistic details of the earliest stages of ATP-driven structural changes within this complex molecule are illuminated. Our results are in broad agreement with previous modeling studies of isolated subunits and with a coarse-grained, forcing simulation of the single ring. These are the first reported all-atom simulations of the GroEL single-ring complex and provide a unique insight into the role of charged residues K80, K277, R284, R285, and E388 at the subunit interface in transmission of the allosteric signal. These simulations also demonstrate the feasibility of performing all-atom simulations of very large systems on sufficiently long time scales on typical high performance computing facilities to show the origins of the earliest events in biologically relevant processes.

Positive Affect Is Associated With Reduced Fixation in a Realistic Medical Simulation.

PubMed

Crane, Monique F; Brouwers, Sue; Forrest, Kirsty; Tan, Suyin; Loveday, Thomas; Wiggins, Mark W; Munday, Chris; David, Leila

2017-08-01

This study extends previous research by exploring the association between mood states (i.e., positive and negative affect) and fixation in practicing anesthetists using a realistic medical simulation. The impact of practitioner emotional states on fixation is a neglected area of research. Emerging evidence is demonstrating the role of positive affect in facilitating problem solving and innovation, with demonstrated implications for practitioner fixation. Twelve practicing anesthetists (4 females; M age = 39 years; SD = 6.71) were involved in a medical simulation. Prior to the simulation, practitioners rated the frequency they had experienced various positive and negative emotions in the previous three days. During the simulation, the patient deteriorated rapidly, and anesthetists were observed for their degree of fixation. After the simulation, practitioners indicated the frequency of these same emotions during the simulation. Nonparametric correlations were used to explore the independent relationships between positive and negative affect and the behavioral measures. Only positive affect impacted the likelihood of fixation. Anesthetists who reported more frequent recent positive affect in the three days prior to the simulation and during the simulation tended to be less fixated as judged by independent raters, identified a decline in patient oxygen saturation more quickly, and more rapidly implemented the necessary intervention (surgical cricothyroidotomy). These findings have some real-world implications for positive affect in patient safety. This research has broad implications for professions where fixation may impair practice. This research suggests that professional training should teach practitioners to identify their emotions and understand the role of these emotions in fixation.

Simulating the effects of climatic variation on stem carbon accumulation of a ponderosa pine stand: comparison with annual growth increment data.

PubMed

Hunt, E R; Martin, F C; Running, S W

1991-01-01

Simulation models of ecosystem processes may be necessary to separate the long-term effects of climate change on forest productivity from the effects of year-to-year variations in climate. The objective of this study was to compare simulated annual stem growth with measured annual stem growth from 1930 to 1982 for a uniform stand of ponderosa pine (Pinus ponderosa Dougl.) in Montana, USA. The model, FOREST-BGC, was used to simulate growth assuming leaf area index (LAI) was either constant or increasing. The measured stem annual growth increased exponentially over time; the differences between the simulated and measured stem carbon accumulations were not large. Growth trends were removed from both the measured and simulated annual increments of stem carbon to enhance the year-to-year variations in growth resulting from climate. The detrended increments from the increasing LAI simulation fit the detrended increments of the stand data over time with an R(2) of 0.47; the R(2) increased to 0.65 when the previous year's simulated detrended increment was included with the current year's simulated increment to account for autocorrelation. Stepwise multiple linear regression of the detrended increments of the stand data versus monthly meteorological variables had an R(2) of 0.37, and the R(2) increased to 0.47 when the previous year's meteorological data were included to account for autocorrelation. Thus, FOREST-BGC was more sensitive to the effects of year-to-year climate variation on annual stem growth than were multiple linear regression models.

Population models and simulation methods: The case of the Spearman rank correlation.

PubMed

Astivia, Oscar L Olvera; Zumbo, Bruno D

2017-11-01

The purpose of this paper is to highlight the importance of a population model in guiding the design and interpretation of simulation studies used to investigate the Spearman rank correlation. The Spearman rank correlation has been known for over a hundred years to applied researchers and methodologists alike and is one of the most widely used non-parametric statistics. Still, certain misconceptions can be found, either explicitly or implicitly, in the published literature because a population definition for this statistic is rarely discussed within the social and behavioural sciences. By relying on copula distribution theory, a population model is presented for the Spearman rank correlation, and its properties are explored both theoretically and in a simulation study. Through the use of the Iman-Conover algorithm (which allows the user to specify the rank correlation as a population parameter), simulation studies from previously published articles are explored, and it is found that many of the conclusions purported in them regarding the nature of the Spearman correlation would change if the data-generation mechanism better matched the simulation design. More specifically, issues such as small sample bias and lack of power of the t-test and r-to-z Fisher transformation disappear when the rank correlation is calculated from data sampled where the rank correlation is the population parameter. A proof for the consistency of the sample estimate of the rank correlation is shown as well as the flexibility of the copula model to encompass results previously published in the mathematical literature. © 2017 The British Psychological Society.

Effects of low-dose alcohol exposure on simulated merchant ship piloting by maritime cadets.

PubMed

Howland, J; Rohsenow, D J; Cote, J; Gomez, B; Mangione, T W; Laramie, A K

2001-03-01

The US Department of Transportation (DOT) regulates on-the-job alcohol use by operators of certain categories of commercial transport. For aircraft, trains, and commercial vessels, operators are subject to sanctions for having > or = 0.04 g% blood alcohol concentration (BAC). This study examines the effects of alcohol (between 0.04 and 0.05 g% BAC) on simulated merchant ship handling. A two-group randomized factorial design was used to compare beverage alcohol to placebo while controlling for baseline performance on a previous day. The study was conducted in the Maritime Simulation Center at Maine Maritime Academy, Castine, ME. Participants were 38 volunteer deck officer cadets in their junior or senior year, at least 21 years of age, with previous experience on a bridge simulator. Following a baseline trial on Day 1, on Day 2 participants were randomized to receive alcohol (0.6 g/kg for males and 0.5 g/kg for females) or placebo. After allowing time for absorption, participants completed a bridge simulator task. For baseline and performance trials, participants were randomized to one of four bridge simulator scenarios, each representing passage of a fully loaded container vessel through a channel with commercial traffic. The aggregate scenario score given by blinded maritime educators measured performance. A main effect for alcohol was found indicating that performance was significantly impaired by this low dose of alcohol relative to performance in the placebo condition. These findings are consistent with current federal regulations that limit low-dose alcohol exposure for the operators of commercial transport vehicles. Further research is required to determine effects at lower BACs.

Piloted Simulation Study of Rudder Pedal Force/Feel Characteristics

NASA Technical Reports Server (NTRS)

Hess, Ronald A.

2007-01-01

A piloted, fixed-base simulation was conducted in 2006 to determine optimum rudder pedal force/feel characteristics for transport aircraft. As part of this research, an evaluation of four metrics for assessing rudder pedal characteristics previously presented in the literature was conducted. This evaluation was based upon the numerical handling qualities ratings assigned to a variety of pedal force/feel systems used in the simulation study. It is shown that, with the inclusion of a fifth metric, most of the rudder pedal force/feel system designs that were rated poorly by the evaluation pilots could be identified. It is suggested that these metrics form the basis of a certification requirement for transport aircraft.

An exploratory investigation of teaching innovations and learning factors in a lean manufacturing systems engineering course

NASA Astrophysics Data System (ADS)

Choomlucksana, Juthamas; Doolen, Toni L.

2017-11-01

The use of collaborative activities and simulation sessions in engineering education has been explored previously. However, few studies have investigated the relationship of these types of teaching innovations with other learner characteristics, such as self-efficacy and background knowledge. This study explored the effects of collaborative activities and simulation sessions on learning and the relationships between self-efficacy beliefs, background knowledge, and learning. Data were collected from two different terms in an upper division engineering course entitled Lean Manufacturing Systems Engineering. Findings indicated that the impact of collaborative activities and simulation sessions appears to be different, depending on the concepts being taught. Simulation sessions were found to have a significant effect on self-efficacy beliefs, and background knowledge had a mixed effect on learning. Overall the results of this study highlight the complex set of relationships between classroom innovations, learner characteristics, and learning.

Numerical simulations of crystal growth in a transdermal drug delivery system

NASA Astrophysics Data System (ADS)

Zeng, Jianming; Jacob, Karl I.; Tikare, Veena

2004-02-01

Grain growth by precipitation and Ostwald ripening in an unstressed matrix of a dissolved crystallizable component was simulated using a kinetic Monte Carlo model. This model was used previously to study Ostwald ripening in the high crystallizable component regime and was shown to correctly simulate solution, diffusion and precipitation. In this study, the same model with modifications was applied to the low crystallizable regime of interest to the transdermal drug delivery system (TDS) community. We demonstrate the model's utility by simulating precipitation and grain growth during isothermal storage at different supersaturation conditions. The simulation results provide a first approximation for the crystallization occurring in TDS. It has been reported that for relatively higher temperature growth of drug crystals in TDS occurs only in the middle third of the polymer layer. The results from the simulations support these findings that crystal growth is limited to the middle third of the region, where the availability of crystallizable components is the highest, for cluster growth at relatively high temperature.

TOWARDS ICE FORMATION CLOSURE IN MIXED-PHASE BOUNDARY LAYER CLOUDS DURING ISDAC

NASA Astrophysics Data System (ADS)

Avramov, A.; Ackerman, A. S.; Fridlind, A. M.; van Diedenhoven, B.; Korolev, A. V.

2009-12-01

Mixed-phase stratus clouds are ubiquitous in the Arctic during the winter and transition seasons. Despite their important role in various climate feedback mechanisms they are not well understood and are difficult to represent faithfully in cloud models. In particular, models of all types experience difficulties reproducing observed ice concentrations and liquid/ice water partitioning in these clouds. Previous studies have demonstrated that simulated ice concentrations and ice water content are critically dependent on ice nucleation modes and ice crystal habit assumed in simulations. In this study we use large-eddy simulations with size-resolved microphysics to determine whether uncertainties in ice nucleus concentrations, ice nucleation mechanisms, ice crystal habits and large-scale forcing are sufficient to account for the difference between simulated and observed quantities. We present results of simulations of two case studies based on observations taken during the recent Indirect and Semi-Direct Aerosol Campaign (ISDAC) on April 8 and 26, 2008. The model simulations are evaluated through extensive comparison with in-situ observations and ground-based remote sensing measurements.

Translating the simulation of procedural drilling techniques for interactive neurosurgical training.

PubMed

Stredney, Don; Rezai, Ali R; Prevedello, Daniel M; Elder, J Bradley; Kerwin, Thomas; Hittle, Bradley; Wiet, Gregory J

2013-10-01

Through previous efforts we have developed a fully virtual environment to provide procedural training of otologic surgical technique. The virtual environment is based on high-resolution volumetric data of the regional anatomy. These volumetric data help drive an interactive multisensory, ie, visual (stereo), aural (stereo), and tactile, simulation environment. Subsequently, we have extended our efforts to support the training of neurosurgical procedural technique as part of the Congress of Neurological Surgeons simulation initiative. To deliberately study the integration of simulation technologies into the neurosurgical curriculum and to determine their efficacy in teaching minimally invasive cranial and skull base approaches. We discuss issues of biofidelity and our methods to provide objective, quantitative and automated assessment for the residents. We conclude with a discussion of our experiences by reporting preliminary formative pilot studies and proposed approaches to take the simulation to the next level through additional validation studies. We have presented our efforts to translate an otologic simulation environment for use in the neurosurgical curriculum. We have demonstrated the initial proof of principles and define the steps to integrate and validate the system as an adjuvant to the neurosurgical curriculum.

Maximum Likelihood Estimation of Nonlinear Structural Equation Models.

ERIC Educational Resources Information Center

Lee, Sik-Yum; Zhu, Hong-Tu

2002-01-01

Developed an EM type algorithm for maximum likelihood estimation of a general nonlinear structural equation model in which the E-step is completed by a Metropolis-Hastings algorithm. Illustrated the methodology with results from a simulation study and two real examples using data from previous studies. (SLD)

Theoretical studies of solar lasers and converters

NASA Technical Reports Server (NTRS)

Heinbockel, John H.

1988-01-01

The previously constructed one dimensional model for the simulated operation of an iodine laser assumed that the perfluoroalkyl iodide gas n-C3F7I was incompressible. The present study removes this simplifying assumption and considers n-C3F7I as a compressible fluid.

Multiple-relaxation-time color-gradient lattice Boltzmann model for simulating two-phase flows with high density ratio

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

Ba, Yan; Liu, Haihu; Li, Qing

2016-08-15

In this paper, we propose a color-gradient lattice Boltzmann (LB) model for simulating two-phase flows with high density ratio and high Reynolds number. The model applies a multi-relaxation-time (MRT) collision operator to enhance the stability of the simulation. A source term, which is derived by the Chapman-Enskog analysis, is added into the MRT LB equation so that the Navier-Stokes equations can be exactly recovered. Also, a new form of the equilibrium density distribution function is used to simplify the source term. To validate the proposed model, steady flows of a static droplet and the layered channel flow are first simulatedmore » with density ratios up to 1000. Small values of spurious velocities and interfacial tension errors are found in the static droplet test, and improved profiles of velocity are obtained by the present model in simulating channel flows. Then, two cases of unsteady flows, Rayleigh-Taylor instability and droplet splashing on a thin film, are simulated. In the former case, the density ratio of 3 and Reynolds numbers of 256 and 2048 are considered. The interface shapes and spike/bubble positions are in good agreement with the results of previous studies. In the latter case, the droplet spreading radius is found to obey the power law proposed in previous studies for the density ratio of 100 and Reynolds number up to 500.« less

Precipitation Dynamical Downscaling Over the Great Plains

NASA Astrophysics Data System (ADS)

Hu, Xiao-Ming; Xue, Ming; McPherson, Renee A.; Martin, Elinor; Rosendahl, Derek H.; Qiao, Lei

2018-02-01

Detailed, regional climate projections, particularly for precipitation, are critical for many applications. Accurate precipitation downscaling in the United States Great Plains remains a great challenge for most Regional Climate Models, particularly for warm months. Most previous dynamic downscaling simulations significantly underestimate warm-season precipitation in the region. This study aims to achieve a better precipitation downscaling in the Great Plains with the Weather Research and Forecast (WRF) model. To this end, WRF simulations with different physics schemes and nudging strategies are first conducted for a representative warm season. Results show that different cumulus schemes lead to more pronounced difference in simulated precipitation than other tested physics schemes. Simply choosing different physics schemes is not enough to alleviate the dry bias over the southern Great Plains, which is related to an anticyclonic circulation anomaly over the central and western parts of continental U.S. in the simulations. Spectral nudging emerges as an effective solution for alleviating the precipitation bias. Spectral nudging ensures that large and synoptic-scale circulations are faithfully reproduced while still allowing WRF to develop small-scale dynamics, thus effectively suppressing the large-scale circulation anomaly in the downscaling. As a result, a better precipitation downscaling is achieved. With the carefully validated configurations, WRF downscaling is conducted for 1980-2015. The downscaling captures well the spatial distribution of monthly climatology precipitation and the monthly/yearly variability, showing improvement over at least two previously published precipitation downscaling studies. With the improved precipitation downscaling, a better hydrological simulation over the trans-state Oologah watershed is also achieved.

Pilot study on effectiveness of simulation for surgical robot design using manipulability.

PubMed

Kawamura, Kazuya; Seno, Hiroto; Kobayashi, Yo; Fujie, Masakatsu G

2011-01-01

Medical technology has advanced with the introduction of robot technology, which facilitates some traditional medical treatments that previously were very difficult. However, at present, surgical robots are used in limited medical domains because these robots are designed using only data obtained from adult patients and are not suitable for targets having different properties, such as children. Therefore, surgical robots are required to perform specific functions for each clinical case. In addition, the robots must exhibit sufficiently high movability and operability for each case. In the present study, we focused on evaluation of the mechanism and configuration of a surgical robot by a simulation based on movability and operability during an operation. We previously proposed the development of a simulator system that reproduces the conditions of a robot and a target in a virtual patient body to evaluate the operability of the surgeon during an operation. In the present paper, we describe a simple experiment to verify the condition of the surgical assisting robot during an operation. In this experiment, the operation imitating suturing motion was carried out in a virtual workspace, and the surgical robot was evaluated based on manipulability as an indicator of movability. As the result, it was confirmed that the robot was controlled with low manipulability of the left side manipulator during the suturing. This simulation system can verify the less movable condition of a robot before developing an actual robot. Our results show the effectiveness of this proposed simulation system.

One- and Two-dimensional Solitary Wave States in the Nonlinear Kramers Equation with Movement Direction as a Variable

NASA Astrophysics Data System (ADS)

Sakaguchi, Hidetsugu; Ishibashi, Kazuya

2018-06-01

We study self-propelled particles by direct numerical simulation of the nonlinear Kramers equation for self-propelled particles. In our previous paper, we studied self-propelled particles with velocity variables in one dimension. In this paper, we consider another model in which each particle exhibits directional motion. The movement direction is expressed with a variable ϕ. We show that one-dimensional solitary wave states appear in direct numerical simulations of the nonlinear Kramers equation in one- and two-dimensional systems, which is a generalization of our previous result. Furthermore, we find two-dimensionally localized states in the case that each self-propelled particle exhibits rotational motion. The center of mass of the two-dimensionally localized state exhibits circular motion, which implies collective rotating motion. Finally, we consider a simple one-dimensional model equation to qualitatively understand the formation of the solitary wave state.

Analysis of orbital perturbations acting on objects in orbits near geosynchronous earth orbit

NASA Technical Reports Server (NTRS)

Friesen, Larry J.; Jackson, Albert A., IV; Zook, Herbert A.; Kessler, Donald J.

1992-01-01

The paper presents a numerical investigation of orbital evolution for objects started in GEO or in orbits near GEO in order to study potential orbital debris problems in this region. Perturbations simulated include nonspherical terms in the earth's geopotential field, lunar and solar gravity, and solar radiation pressure. Objects simulated include large satellites, for which solar radiation pressure is insignificant, and small particles, for which solar radiation pressure is an important force. Results for large satellites are largely in agreement with previous GEO studies that used classical perturbation techniques. The orbit plane of GEO satellites placed in a stable plane orbit inclined approximately 7.3 deg to the equator experience very little precession, remaining always within 1.2 percent of their initial orientation. Solar radiation pressure generates two major effects on small particles: an orbital eccentricity oscillation anticipated from previous research, and an oscillation in orbital inclination.

Genetic demographic networks: Mathematical model and applications.

PubMed

Kimmel, Marek; Wojdyła, Tomasz

2016-10-01

Recent improvement in the quality of genetic data obtained from extinct human populations and their ancestors encourages searching for answers to basic questions regarding human population history. The most common and successful are model-based approaches, in which genetic data are compared to the data obtained from the assumed demography model. Using such approach, it is possible to either validate or adjust assumed demography. Model fit to data can be obtained based on reverse-time coalescent simulations or forward-time simulations. In this paper we introduce a computational method based on mathematical equation that allows obtaining joint distributions of pairs of individuals under a specified demography model, each of them characterized by a genetic variant at a chosen locus. The two individuals are randomly sampled from either the same or two different populations. The model assumes three types of demographic events (split, merge and migration). Populations evolve according to the time-continuous Moran model with drift and Markov-process mutation. This latter process is described by the Lyapunov-type equation introduced by O'Brien and generalized in our previous works. Application of this equation constitutes an original contribution. In the result section of the paper we present sample applications of our model to both simulated and literature-based demographies. Among other we include a study of the Slavs-Balts-Finns genetic relationship, in which we model split and migrations between the Balts and Slavs. We also include another example that involves the migration rates between farmers and hunters-gatherers, based on modern and ancient DNA samples. This latter process was previously studied using coalescent simulations. Our results are in general agreement with the previous method, which provides validation of our approach. Although our model is not an alternative to simulation methods in the practical sense, it provides an algorithm to compute pairwise distributions of alleles, in the case of haploid non-recombining loci such as mitochondrial and Y-chromosome loci in humans. Copyright © 2016 Elsevier Inc. All rights reserved.

Three Dimensional Constraint Effects on the Estimated (Delta)CTOD during the Numerical Simulation of Different Fatigue Threshold Testing Techniques

NASA Technical Reports Server (NTRS)

Seshadri, Banavara R.; Smith, Stephen W.

2007-01-01

Variation in constraint through the thickness of a specimen effects the cyclic crack-tip-opening displacement (DELTA CTOD). DELTA CTOD is a valuable measure of crack growth behavior, indicating closure development, constraint variations and load history effects. Fatigue loading with a continual load reduction was used to simulate the load history associated with fatigue crack growth threshold measurements. The constraint effect on the estimated DELTA CTOD is studied by carrying out three-dimensional elastic-plastic finite element simulations. The analysis involves numerical simulation of different standard fatigue threshold test schemes to determine how each test scheme affects DELTA CTOD. The American Society for Testing and Materials (ASTM) prescribes standard load reduction procedures for threshold testing using either the constant stress ratio (R) or constant maximum stress intensity (K(sub max)) methods. Different specimen types defined in the standard, namely the compact tension, C(T), and middle cracked tension, M(T), specimens were used in this simulation. The threshold simulations were conducted with different initial K(sub max) values to study its effect on estimated DELTA CTOD. During each simulation, the DELTA CTOD was estimated at every load increment during the load reduction procedure. Previous numerical simulation results indicate that the constant R load reduction method generates a plastic wake resulting in remote crack closure during unloading. Upon reloading, this remote contact location was observed to remain in contact well after the crack tip was fully open. The final region to open is located at the point at which the load reduction was initiated and at the free surface of the specimen. However, simulations carried out using the constant Kmax load reduction procedure did not indicate remote crack closure. Previous analysis results using various starting K(sub max) values and different load reduction rates have indicated DELTA CTOD is independent of specimen size. A study of the effect of specimen thickness and geometry on the measured DELTA CTOD for various load reduction procedures and its implication in the estimation of fatigue crack growth threshold values is discussed.

Does video gaming affect orthopaedic skills acquisition? A prospective cohort-study.

PubMed

Khatri, Chetan; Sugand, Kapil; Anjum, Sharika; Vivekanantham, Sayinthen; Akhtar, Kash; Gupte, Chinmay

2014-01-01

Previous studies have suggested that there is a positive correlation between the extent of video gaming and efficiency of surgical skill acquisition on laparoscopic and endovascular surgical simulators amongst trainees. However, the link between video gaming and orthopaedic trauma simulation remains unexamined, in particular dynamic hip screw (DHS) stimulation. To assess effect of prior video gaming experience on virtual-reality (VR) haptic-enabled DHS simulator performance. 38 medical students, naïve to VR surgical simulation, were recruited and stratified relative to their video gaming exposure. Group 1 (n = 19, video-gamers) were defined as those who play more than one hour per day in the last calendar year. Group 2 (n = 19, non-gamers) were defined as those who play video games less than one hour per calendar year. Both cohorts performed five attempts on completing a VR DHS procedure and repeated the task after a week. Metrics assessed included time taken for task, simulated flouroscopy time and screw position. Median and Bonett-Price 95% confidence intervals were calculated for seven real-time objective performance metrics. Data was confirmed as non-parametric by the Kolmogorov-Smirnov test. Analysis was performed using the Mann-Whitney U test for independent data whilst the Wilcoxon signed ranked test was used for paired data. A result was deemed significant when a two-tailed p-value was less than 0.05. All 38 subjects completed the study. The groups were not significantly different at baseline. After ten attempts, there was no difference between Group 1 and Group 2 in any of the metrics tested. These included time taken for task, simulated fluoroscopy time, number of retries, tip-apex distance, percentage cut-out and global score. Contrary to previous literature findings, there was no correlation between video gaming experience and gaining competency on a VR DHS simulator.

The Interaction of the Space Shuttle Launch and Entry Suits and Sustained Weightless on Astronaut Egress Locomotion

NASA Technical Reports Server (NTRS)

Greenisen, M. C.; Bishop, P. A.; Sothmann, M.

2008-01-01

The purpose of this study was to determine the consequences of extended periods of weightlessness during space missions on astronauts f ability to perform a simulated contingency egress while wearing either of the Launch and Entry suits immediately after space flight. In our previous lab-based study of simulated contingency egress, we found only 4 of 12 non-astronauts wearing the Launch and Entry Suit (LES) successfully completed the simulated egress. However, 4 of 4 of the previous failures (when tested wearing the LES), were then successful in completing the test wearing the Advanced Crew Escape Suit (ACES). Therefore, this study tested 21 Astronaut Volunteers wearing either the LES or ACES while performing a simulated egress on a treadmill (TM) onboard the Crew Transportation Vehicle immediately after space flight at either the Kennedy Space Center or Edwards AFB. Astronauts walked for 400 meters at 1.6m/sec with g-suit inflation level set to preflight testing levels, visor down, breathing from the suit emergency O2 supply. Metabolic, heartrate, and perceived exertion data were collected during these post-flight tests. Exactly the same preflight simulated egress tests on a TM were performed in the lab at NASA/JSC by each crewmember at L-60. Preflight testing found 2 of the 21 crewmembers were unable to complete the simulated contingency egress. Postflight, 9 crew (8 ACES, 1 LES) completed the simulated contingency egress of 400 meters at 1.6m/sec. and 12 failed to meet that standard (7 ACES, 5 LES). Preflight physiological response tests failed to identify crew capable of performing the egress vs. those who failed. However, 18 of the 21 crew did make at least 2.67 minutes into the postflight egress testing. At that point in time, heartrate was higher (P <=.20) for the failures compared to the finishers. These findings indicate that NASA fs switch to the ACES for space flight crews should be expedited.

Using simulators to teach pediatric airway procedures in an international setting.

PubMed

Schwartz, Marissa A; Kavanagh, Katherine R; Frampton, Steven J; Bruce, Iain A; Valdez, Tulio A

2018-01-01

There has been a growing shift towards endoscopic management of laryngeal procedures in pediatric otolaryngology. There still appears to be a shortage of pediatric otolaryngology programs and children's hospitals worldwide where physicians can learn and practice these skills. Laryngeal simulation models have the potential to be part of the educational training of physicians who lack exposure to relatively uncommon pediatric otolaryngologic pathology. The objective of this study was to assess the utility of pediatric laryngeal models to teach laryngeal pathology to physicians at an international meeting. Pediatric laryngeal models were assessed by participants at an international pediatric otolaryngology meeting. Participants provided demographic information and previous experience with pediatric airways. Participants then performed simulated surgery on these models and evaluated them using both a previously validated Tissue Likeness Scale and a pre-simulation to post-simulation confidence scale. Participants reported significant subjective improvement in confidence level after use of the simulation models (p < 0.05). Participants reported realistic representations of human anatomy and pathology. The models' tissue mechanics were adequate to practice operative technique including the ability to incise, suture, and suspend models. The pediatric laryngeal models demonstrate high quality anatomy, which is easy manipulated with surgical instruments. These models allow both trainees and surgeons to practice time-sensitive airway surgeries in a safe and controlled environment. Copyright © 2017 Elsevier B.V. All rights reserved.

Preliminary SAGE Simulations of Volcanic Jets Into a Stratified Atmosphere

NASA Astrophysics Data System (ADS)

Peterson, A. H.; Wohletz, K. H.; Ogden, D. E.; Gisler, G. R.; Glatzmaier, G. A.

2007-12-01

The SAGE (SAIC Adaptive Grid Eulerian) code employs adaptive mesh refinement in solving Eulerian equations of complex fluid flow desirable for simulation of volcanic eruptions. The goal of modeling volcanic eruptions is to better develop a code's predictive capabilities in order to understand the dynamics that govern the overall behavior of real eruption columns. To achieve this goal, we focus on the dynamics of underexpended jets, one of the fundamental physical processes important to explosive eruptions. Previous simulations of laboratory jets modeled in cylindrical coordinates were benchmarked with simulations in CFDLib (Los Alamos National Laboratory), which solves the full Navier-Stokes equations (includes viscous stress tensor), and showed close agreement, indicating that adaptive mesh refinement used in SAGE may offset the need for explicit calculation of viscous dissipation.We compare gas density contours of these previous simulations with the same initial conditions in cylindrical and Cartesian geometries to laboratory experiments to determine both the validity of the model and the robustness of the code. The SAGE results in both geometries are within several percent of the experiments for position and density of the incident (intercepting) and reflected shocks, slip lines, shear layers, and Mach disk. To expand our study into a volcanic regime, we simulate large-scale jets in a stratified atmosphere to establish the code's ability to model a sustained jet into a stable atmosphere.

On magnetic field amplification and particle acceleration near non-relativistic collisionless shocks: Particles in MHD Cells simulations

NASA Astrophysics Data System (ADS)

Casse, F.; van Marle, A. J.; Marcowith, A.

2018-01-01

We present simulations of magnetized astrophysical shocks taking into account the interplay between the thermal plasma of the shock and supra-thermal particles. Such interaction is depicted by combining a grid-based magneto-hydrodynamics description of the thermal fluid with particle-in-cell techniques devoted to the dynamics of supra-thermal particles. This approach, which incorporates the use of adaptive mesh refinement features, is potentially a key to simulate astrophysical systems on spatial scales that are beyond the reach of pure particle-in-cell simulations. We consider non-relativistic super-Alfénic shocks with various magnetic field obliquity. We recover all the features from previous studies when the magnetic field is parallel to the normal to the shock. In contrast with previous particle-in-cell and hybrid simulations, we find that particle acceleration and magnetic field amplification also occur when the magnetic field is oblique to the normal to the shock but on larger timescales than in the parallel case. We show that in our oblique shock simulations the streaming of supra-thermal particles induces a corrugation of the shock front. Such oscillations of both the shock front and the magnetic field then locally helps the particles to enter the upstream region and to initiate a non-resonant streaming instability and finally to induce diffuse particle acceleration.

Euler-euler anisotropic gaussian mesoscale simulation of homogeneous cluster-induced gas-particle turbulence

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

Kong, Bo; Fox, Rodney O.; Feng, Heng

An Euler–Euler anisotropic Gaussian approach (EE-AG) for simulating gas–particle flows, in which particle velocities are assumed to follow a multivariate anisotropic Gaussian distribution, is used to perform mesoscale simulations of homogeneous cluster-induced turbulence (CIT). A three-dimensional Gauss–Hermite quadrature formulation is used to calculate the kinetic flux for 10 velocity moments in a finite-volume framework. The particle-phase volume-fraction and momentum equations are coupled with the Eulerian solver for the gas phase. This approach is implemented in an open-source CFD package, OpenFOAM, and detailed simulation results are compared with previous Euler–Lagrange simulations in a domain size study of CIT. Here, these resultsmore » demonstrate that the proposed EE-AG methodology is able to produce comparable results to EL simulations, and this moment-based methodology can be used to perform accurate mesoscale simulations of dilute gas–particle flows.« less

Euler-euler anisotropic gaussian mesoscale simulation of homogeneous cluster-induced gas-particle turbulence

DOE PAGES

Kong, Bo; Fox, Rodney O.; Feng, Heng; ...

2017-02-16

An Euler–Euler anisotropic Gaussian approach (EE-AG) for simulating gas–particle flows, in which particle velocities are assumed to follow a multivariate anisotropic Gaussian distribution, is used to perform mesoscale simulations of homogeneous cluster-induced turbulence (CIT). A three-dimensional Gauss–Hermite quadrature formulation is used to calculate the kinetic flux for 10 velocity moments in a finite-volume framework. The particle-phase volume-fraction and momentum equations are coupled with the Eulerian solver for the gas phase. This approach is implemented in an open-source CFD package, OpenFOAM, and detailed simulation results are compared with previous Euler–Lagrange simulations in a domain size study of CIT. Here, these resultsmore » demonstrate that the proposed EE-AG methodology is able to produce comparable results to EL simulations, and this moment-based methodology can be used to perform accurate mesoscale simulations of dilute gas–particle flows.« less

Investigation of experimental pole-figure errors by simulation of individual spectra

NASA Astrophysics Data System (ADS)

Lychagina, T. A.; Nikolaev, D. I.

2007-09-01

The errors in measuring the crystallographic texture described by pole figures are studied. A set of diffraction spectra for a sample of the MA2-1 alloy (Mg + 4.5% Al + 1% Zn) are measured, simulation of individual spectra on the basis of which the pole figures were obtained is performed, and their errors are determined. The conclusion about the possibility of determining the effect of errors of the diffraction peak half-width on the pole figure errors that was drawn in our previous studies is confirmed.

Nucleation and growth in one dimension. I. The generalized Kolmogorov-Johnson-Mehl-Avrami model

NASA Astrophysics Data System (ADS)

Jun, Suckjoon; Zhang, Haiyang; Bechhoefer, John

2005-01-01

Motivated by a recent application of the Kolmogorov-Johnson-Mehl-Avrami (KJMA) model to the study of DNA replication, we consider the one-dimensional (1D) version of this model. We generalize previous work to the case where the nucleation rate is an arbitrary function I(t) and obtain analytical results for the time-dependent distributions of various quantities (such as the island distribution). We also present improved computer simulation algorithms to study the 1D KJMA model. The analytical results and simulations are in excellent agreement.

Effect of Pressure in Thermoplastic Ribbon Thermal Welding

NASA Technical Reports Server (NTRS)

Hinkley, J. A.; Messier, B. C.; Marchello, J. M.

1996-01-01

An inexpensive apparatus was designed to simulate some features of on-the-fly thermal welding in heated-head tow placement. Previous studies have shown how ply/ply weld strength depends on weld time/temperature history. The apparatus has been modified recently to apply higher contact forces. Welding at pressures up to 1.7MPa (250psi) produced more consistent welds and fewer intra-ply voids, This has permitted a study of the conditions required for achieving the limiting ply/ply cohesive strength in simulated tow placement of a polyimide oligomer.

A review of quasi-coherent structures in a numerically simulated turbulent boundary layer

NASA Technical Reports Server (NTRS)

Robinson, S. K.; Kline, S. J.; Spalart, P. R.

1989-01-01

Preliminary results of a comprehensive study of the structural aspects of a numerically simulated number turbulent boundary layer are presented. A direct Navier-Stokes simulation of a flat-plate, zero pressure gradient boundary layer at Re0 = 670 was used. Most of the known nonrandom, coherent features of turbulent boundary layers are confirmed in the simulation, and several new aspects of their spatial character are reported. The spatial relationships between many of the various structures are described, forming the basis for a more complete kinematical picture of boundary layer physics than has been previously known. In particular, the importance of vortex structures of various forms to the generation of Reynolds shear stress is investigated.

TRANSPORT BY MERIDIONAL CIRCULATIONS IN SOLAR-TYPE STARS

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

Wood, T. S.; Brummell, N. H., E-mail: tsw25@soe.ucsc.edu

2012-08-20

Transport by meridional flows has significant consequences for stellar evolution, but is difficult to capture in global-scale numerical simulations because of the wide range of timescales involved. Stellar evolution models therefore usually adopt parameterizations for such transport based on idealized laminar or mean-field models. Unfortunately, recent attempts to model this transport in global simulations have produced results that are not consistent with any of these idealized models. In an effort to explain the discrepancies between global simulations and idealized models, here we use three-dimensional local Cartesian simulations of compressible convection to study the efficiency of transport by meridional flows belowmore » a convection zone in several parameter regimes of relevance to the Sun and solar-type stars. In these local simulations we are able to establish the correct ordering of dynamical timescales, although the separation of the timescales remains unrealistic. We find that, even though the generation of internal waves by convective overshoot produces a high degree of time dependence in the meridional flow field, the mean flow has the qualitative behavior predicted by laminar, 'balanced' models. In particular, we observe a progressive deepening, or 'burrowing', of the mean circulation if the local Eddington-Sweet timescale is shorter than the viscous diffusion timescale. Such burrowing is a robust prediction of laminar models in this parameter regime, but has never been observed in any previous numerical simulation. We argue that previous simulations therefore underestimate the transport by meridional flows.« less

Interval sampling methods and measurement error: a computer simulation.

PubMed

Wirth, Oliver; Slaven, James; Taylor, Matthew A

2014-01-01

A simulation study was conducted to provide a more thorough account of measurement error associated with interval sampling methods. A computer program simulated the application of momentary time sampling, partial-interval recording, and whole-interval recording methods on target events randomly distributed across an observation period. The simulation yielded measures of error for multiple combinations of observation period, interval duration, event duration, and cumulative event duration. The simulations were conducted up to 100 times to yield measures of error variability. Although the present simulation confirmed some previously reported characteristics of interval sampling methods, it also revealed many new findings that pertain to each method's inherent strengths and weaknesses. The analysis and resulting error tables can help guide the selection of the most appropriate sampling method for observation-based behavioral assessments. © Society for the Experimental Analysis of Behavior.

Hydrodynamic suppression of phase separation in active suspensions.

PubMed

Matas-Navarro, Ricard; Golestanian, Ramin; Liverpool, Tanniemola B; Fielding, Suzanne M

2014-09-01

We simulate with hydrodynamics a suspension of active disks squirming through a Newtonian fluid. We explore numerically the full range of squirmer area fractions from dilute to close packed and show that "motility induced phase separation," which was recently proposed to arise generically in active matter, and which has been seen in simulations of active Brownian disks, is strongly suppressed by hydrodynamic interactions. We give an argument for why this should be the case and support it with counterpart simulations of active Brownian disks in a parameter regime that provides a closer counterpart to hydrodynamic suspensions than in previous studies.

Analysis of the OPERA 15-pin experiment with SABRE-2P. [LMFBR

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

Rose, S.D.; Carbajo, J.J.

The OPERA (Out-of-Pile Expulsion and Reentry Apparatus) experiment simulates the initial phase of a pump coastdown without scram of a liquid-metal fast breeder reactor, specifically the Fast Flux Test Facility. The test section is a 15-pin 60/sup 0/ triangular sector designed to simulate a full-size 61-pin hexagonal bundle. A previous study indicates this to be an adequate simulation. In this paper, experimental results from the OPERA 15-pin experiment performed at ANL in 1982 are compared to analytical calculations obtained with the SABRE-2P code at ORNL.

WRF-Chem Simulations of Lightning-NOx Production and Transport in Oklahoma and Colorado Thunderstorms Observed During DC3

NASA Technical Reports Server (NTRS)

Cummings, Kristin A.; Pickering, Kenneth E.; Barth, M.; Bela, M.; Li, Y.; Allen, D.; Bruning, E.; MacGorman, D.; Rutledge, S.; Basarab, B.;

Statistics of Magnetic Reconnection X-Lines in Kinetic Turbulence

NASA Astrophysics Data System (ADS)

Haggerty, C. C.; Parashar, T.; Matthaeus, W. H.; Shay, M. A.; Wan, M.; Servidio, S.; Wu, P.

2016-12-01

In this work we examine the statistics of magnetic reconnection (x-lines) and their associated reconnection rates in intermittent current sheets generated in turbulent plasmas. Although such statistics have been studied previously for fluid simulations (e.g. [1]), they have not yet been generalized to fully kinetic particle-in-cell (PIC) simulations. A significant problem with PIC simulations, however, is electrostatic fluctuations generated due to numerical particle counting statistics. We find that analyzing gradients of the magnetic vector potential from the raw PIC field data identifies numerous artificial (or non-physical) x-points. Using small Orszag-Tang vortex PIC simulations, we analyze x-line identification and show that these artificial x-lines can be removed using sub-Debye length filtering of the data. We examine how turbulent properties such as the magnetic spectrum and scale dependent kurtosis are affected by particle noise and sub-Debye length filtering. We subsequently apply these analysis methods to a large scale kinetic PIC turbulent simulation. Consistent with previous fluid models, we find a range of normalized reconnection rates as large as ½ but with the bulk of the rates being approximately less than to 0.1. [1] Servidio, S., W. H. Matthaeus, M. A. Shay, P. A. Cassak, and P. Dmitruk (2009), Magnetic reconnection and two-dimensional magnetohydrodynamic turbulence, Phys. Rev. Lett., 102, 115003.

Effect of Impact Location on the Response of Shuttle Wing Leading Edge Panel 9

NASA Technical Reports Server (NTRS)

Lyle, Karen H.; Spellman, Regina L.; Hardy, Robin C.; Fasanella, Edwin L.; Jackson, Karen E.

2005-01-01

The objective of this paper is to compare the results of several simulations performed to determine the worst-case location for a foam impact on the Space Shuttle wing leading edge. The simulations were performed using the commercial non-linear transient dynamic finite element code, LS-DYNA. These simulations represent the first in a series of parametric studies performed to support the selection of the worst-case impact scenario. Panel 9 was selected for this study to enable comparisons with previous simulations performed during the Columbia Accident Investigation. The projectile for this study is a 5.5-in cube of typical external tank foam weighing 0.23 lb. Seven locations spanning the panel surface were impacted with the foam cube. For each of these cases, the foam was traveling at 1000 ft/s directly aft, along the orbiter X-axis. Results compared from the parametric studies included strains, contact forces, and material energies for various simulations. The results show that the worst case impact location was on the top surface, near the apex.

The effect of simulation courseware on critical thinking in undergraduate nursing students: multi-site pre-post study.

PubMed

Shin, Hyunsook; Ma, Hyunhee; Park, Jiyoung; Ji, Eun Sun; Kim, Dong Hee

2015-04-01

The use of simulations has been considered as opportunities for students to enhance their critical thinking (CT), but previous studies were limited because they did not provide in-depth information on the working dynamics of simulation or on the effects of the number of simulation exposures on CT. This study examined the effect of an integrated pediatric nursing simulation used in a nursing practicum on students' CT abilities and identified the effects of differing numbers of simulation exposures on CT in a multi-site environment. The study used a multi-site, pre-test, post-test design. A total of 237 nursing students at three universities enrolled in a pediatric practicum participated in this study from February to December 2013. All three schools used the same simulation courseware, including the same simulation scenarios, evaluation tools, and simulation equipment. The courseware incorporated high-fidelity simulators and standardized patients. Students at school A completed one simulation session, whereas students at schools B and C completed two and three simulation sessions, respectively. Yoon's Critical Thinking Disposition tool (2008) was used to measure students' CT abilities. The gains in students' CT scores varied according to their numbers of exposures to the simulation courseware. With a single exposure, there were no statistically significant gains in CT, whereas three exposures to the courseware produced significant gains in CT. In seven subcategories of critical thinking, three exposures to the simulation courseware produced CT gains in the prudence and intellectual eagerness subcategories, and the overall simulation experience produced CT gains in the prudence, systematicity, healthy skepticism, and intellectual eagerness subcategories. Simulation courseware may produce positive learning outcomes for prudence in nursing education. In addition, the findings from the multi-site comparative study may contribute to greater understanding of how patient simulation experiences impact students' CT abilities. Copyright © 2014 Elsevier Ltd. All rights reserved.

SIM_EXPLORE: Software for Directed Exploration of Complex Systems

NASA Technical Reports Server (NTRS)

Burl, Michael; Wang, Esther; Enke, Brian; Merline, William J.

2013-01-01

Physics-based numerical simulation codes are widely used in science and engineering to model complex systems that would be infeasible to study otherwise. While such codes may provide the highest- fidelity representation of system behavior, they are often so slow to run that insight into the system is limited. Trying to understand the effects of inputs on outputs by conducting an exhaustive grid-based sweep over the input parameter space is simply too time-consuming. An alternative approach called "directed exploration" has been developed to harvest information from numerical simulators more efficiently. The basic idea is to employ active learning and supervised machine learning to choose cleverly at each step which simulation trials to run next based on the results of previous trials. SIM_EXPLORE is a new computer program that uses directed exploration to explore efficiently complex systems represented by numerical simulations. The software sequentially identifies and runs simulation trials that it believes will be most informative given the results of previous trials. The results of new trials are incorporated into the software's model of the system behavior. The updated model is then used to pick the next round of new trials. This process, implemented as a closed-loop system wrapped around existing simulation code, provides a means to improve the speed and efficiency with which a set of simulations can yield scientifically useful results. The software focuses on the case in which the feedback from the simulation trials is binary-valued, i.e., the learner is only informed of the success or failure of the simulation trial to produce a desired output. The software offers a number of choices for the supervised learning algorithm (the method used to model the system behavior given the results so far) and a number of choices for the active learning strategy (the method used to choose which new simulation trials to run given the current behavior model). The software also makes use of the LEGION distributed computing framework to leverage the power of a set of compute nodes. The approach has been demonstrated on a planetary science application in which numerical simulations are used to study the formation of asteroid families.

Monte Carlo simulations of liquid tetrahydrofuran including pseudorotationa)

NASA Astrophysics Data System (ADS)

Chandrasekhar, Jayaraman; Jorgensen, William L.

1982-11-01

Monte Carlo statistical mechanics simulations have been carried out for liquid tetrahydrofuran (THF) with and without pseudorotation at 1 atm and 25 °C. The intermolecular potential functions consisted of Lennard-Jones and Coulomb terms in the TIPS format reported previously for ethers. Pseudorotation of the ring was described using the generalized coordinates defined by Cremer and Pople, viz., the puckering amplitude and the phase angle of the ring. The corresponding intramolecular potential function was derived from molecular mechanics (MM2) calculations. Compared to the gas phase, the rings tend to be more flat and the population of the C2 twist geometry is slightly higher in liquid THF. However, pseudorotation has negligible effect on the calculated intermolecular structure and thermodynamic properties. The computed density, heat of vaporization, and heat capacity are in good agreement with experiment. The results are also compared with those from previous simulations of acyclic ethers. The present study provides the foundation for investigations of the solvating ability of THF.

Atomistic simulation of the coupled adsorption and unfolding of protein GB1 on the polystyrenes nanoparticle surface

NASA Astrophysics Data System (ADS)

Xiao, HuiFang; Huang, Bin; Yao, Ge; Kang, WenBin; Gong, Sheng; Pan, Hai; Cao, Yi; Wang, Jun; Zhang, Jian; Wang, Wei

2018-03-01

Understanding the processes of protein adsorption/desorption on nanoparticles' surfaces is important for the development of new nanotechnology involving biomaterials; however, an atomistic resolution picture for these processes and for the simultaneous protein conformational change is missing. Here, we report the adsorption of protein GB1 on a polystyrene nanoparticle surface using atomistic molecular dynamic simulations. Enabled by metadynamics, we explored the relevant phase space and identified three protein states, each involving both the adsorbed and desorbed modes. We also studied the change of the secondary and tertiary structures of GB1 during adsorption and the dominant interactions between the protein and surface in different adsorption stages. The results we obtained from simulation were found to be more adequate and complete than the previous one. We believe the model presented in this paper, in comparison with the previous ones, is a better theoretical model to understand and explain the experimental results.

A New Estimate of North American Mountain Snow Accumulation From Regional Climate Model Simulations

NASA Astrophysics Data System (ADS)

Wrzesien, Melissa L.; Durand, Michael T.; Pavelsky, Tamlin M.; Kapnick, Sarah B.; Zhang, Yu; Guo, Junyi; Shum, C. K.

2018-02-01

Despite the importance of mountain snowpack to understanding the water and energy cycles in North America's montane regions, no reliable mountain snow climatology exists for the entire continent. We present a new estimate of mountain snow water equivalent (SWE) for North America from regional climate model simulations. Climatological peak SWE in North America mountains is 1,006 km3, 2.94 times larger than previous estimates from reanalyses. By combining this mountain SWE value with the best available global product in nonmountain areas, we estimate peak North America SWE of 1,684 km3, 55% greater than previous estimates. In our simulations, the date of maximum SWE varies widely by mountain range, from early March to mid-April. Though mountains comprise 24% of the continent's land area, we estimate that they contain 60% of North American SWE. This new estimate is a suitable benchmark for continental- and global-scale water and energy budget studies.

Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)

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

Vögele, Martin; Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Frankfurt a. M.; Holm, Christian

2015-12-28

We present simulations of aqueous polyelectrolyte complexes with new MARTINI models for the charged polymers poly(styrene sulfonate) and poly(diallyldimethylammonium). Our coarse-grained polyelectrolyte models allow us to study large length and long time scales with regard to chemical details and thermodynamic properties. The results are compared to the outcomes of previous atomistic molecular dynamics simulations and verify that electrostatic properties are reproduced by our MARTINI coarse-grained approach with reasonable accuracy. Structural similarity between the atomistic and the coarse-grained results is indicated by a comparison between the pair radial distribution functions and the cumulative number of surrounding particles. Our coarse-grained models aremore » able to quantitatively reproduce previous findings like the correct charge compensation mechanism and a reduced dielectric constant of water. These results can be interpreted as the underlying reason for the stability of polyelectrolyte multilayers and complexes and validate the robustness of the proposed models.« less

A stochastic optimization model under modeling uncertainty and parameter certainty for groundwater remediation design--part I. Model development.

PubMed

He, L; Huang, G H; Lu, H W

2010-04-15

Solving groundwater remediation optimization problems based on proxy simulators can usually yield optimal solutions differing from the "true" ones of the problem. This study presents a new stochastic optimization model under modeling uncertainty and parameter certainty (SOMUM) and the associated solution method for simultaneously addressing modeling uncertainty associated with simulator residuals and optimizing groundwater remediation processes. This is a new attempt different from the previous modeling efforts. The previous ones focused on addressing uncertainty in physical parameters (i.e. soil porosity) while this one aims to deal with uncertainty in mathematical simulator (arising from model residuals). Compared to the existing modeling approaches (i.e. only parameter uncertainty is considered), the model has the advantages of providing mean-variance analysis for contaminant concentrations, mitigating the effects of modeling uncertainties on optimal remediation strategies, offering confidence level of optimal remediation strategies to system designers, and reducing computational cost in optimization processes. 2009 Elsevier B.V. All rights reserved.

The electrostatic persistence length of polymers beyond the OSF limit.

PubMed

Everaers, R; Milchev, A; Yamakov, V

2002-05-01

We use large-scale Monte Carlo simulations to test scaling theories for the electrostatic persistence length l(e) of isolated, uniformly charged polymers with Debye-Hückel intrachain interactions in the limit where the screening length kappa(-1) exceeds the intrinsic persistence length of the chains. Our simulations cover a significantly larger part of the parameter space than previous studies. We observe no significant deviations from the prediction l(e) proportional to kappa(-2) by Khokhlov and Khachaturian which is based on applying the Odijk-Skolnick-Fixman theories of electrostatic bending rigidity and electrostatically excluded volume to the stretched de Gennes-Pincus-Velasco-Brochard polyelectrolyte blob chain. A linear or sublinear dependence of the persistence length on the screening length can be ruled out. We show that previous results pointing into this direction are due to a combination of excluded-volume and finite chain length effects. The paper emphasizes the role of scaling arguments in the development of useful representations for experimental and simulation data.

The ShakeOut earthquake source and ground motion simulations

USGS Publications Warehouse

Graves, R.W.; Houston, Douglas B.; Hudnut, K.W.

2011-01-01

The ShakeOut Scenario is premised upon the detailed description of a hypothetical Mw 7.8 earthquake on the southern San Andreas Fault and the associated simulated ground motions. The main features of the scenario, such as its endpoints, magnitude, and gross slip distribution, were defined through expert opinion and incorporated information from many previous studies. Slip at smaller length scales, rupture speed, and rise time were constrained using empirical relationships and experience gained from previous strong-motion modeling. Using this rupture description and a 3-D model of the crust, broadband ground motions were computed over a large region of Southern California. The largest simulated peak ground acceleration (PGA) and peak ground velocity (PGV) generally range from 0.5 to 1.0 g and 100 to 250 cm/s, respectively, with the waveforms exhibiting strong directivity and basin effects. Use of a slip-predictable model results in a high static stress drop event and produces ground motions somewhat higher than median level predictions from NGA ground motion prediction equations (GMPEs).

Ram Pressure Stripping: Observations Meet Simulations

NASA Astrophysics Data System (ADS)

Past, Matthew; Ruszkowski, Mateusz; Sharon, Keren

2017-01-01

Ram pressure stripping occurs when a galaxy falls into the potential well of a cluster, removing gas and dust as the galaxy travels through the intracluster medium. This interaction leads to filamentary gas tails stretching behind the galaxy and plays an important role in galaxy evolution. Previously, these “jellyfish” galaxies had only been observed in nearby clusters, but recently, higher redshift (z > 0.3) examples have been found from HST data imaging.Recent work has shown that cosmic rays injected by supernovae can cause galactic disks to thicken due to cosmic ray pressure. We run three-dimensional magneto-hydrodynamical simulations of ram pressure stripping including cosmic rays to compare to previous models. We study how the efficiency of the ram pressure stripping of the gas, and the morphology of the filamentary tails, depend on the magnitude of the cosmic ray pressure support. We generate mock X-ray images and radio polarization data. Simultaneously, we perform an exhaustive search of the HST archive to increase the sample of jellyfish galaxies and compare selected cases to simulations.

Large-scale dynamo action precedes turbulence in shearing box simulations of the magnetorotational instability

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

Bhat, Pallavi; Ebrahimi, Fatima; Blackman, Eric G.

Here, we study the dynamo generation (exponential growth) of large-scale (planar averaged) fields in unstratified shearing box simulations of the magnetorotational instability (MRI). In contrast to previous studies restricted to horizontal (x–y) averaging, we also demonstrate the presence of large-scale fields when vertical (y–z) averaging is employed instead. By computing space–time planar averaged fields and power spectra, we find large-scale dynamo action in the early MRI growth phase – a previously unidentified feature. Non-axisymmetric linear MRI modes with low horizontal wavenumbers and vertical wavenumbers near that of expected maximal growth, amplify the large-scale fields exponentially before turbulence and high wavenumbermore » fluctuations arise. Thus the large-scale dynamo requires only linear fluctuations but not non-linear turbulence (as defined by mode–mode coupling). Vertical averaging also allows for monitoring the evolution of the large-scale vertical field and we find that a feedback from horizontal low wavenumber MRI modes provides a clue as to why the large-scale vertical field sustains against turbulent diffusion in the non-linear saturation regime. We compute the terms in the mean field equations to identify the individual contributions to large-scale field growth for both types of averaging. The large-scale fields obtained from vertical averaging are found to compare well with global simulations and quasi-linear analytical analysis from a previous study by Ebrahimi & Blackman. We discuss the potential implications of these new results for understanding the large-scale MRI dynamo saturation and turbulence.« less

Large-scale dynamo action precedes turbulence in shearing box simulations of the magnetorotational instability

DOE PAGES

Bhat, Pallavi; Ebrahimi, Fatima; Blackman, Eric G.

2016-07-06

Here, we study the dynamo generation (exponential growth) of large-scale (planar averaged) fields in unstratified shearing box simulations of the magnetorotational instability (MRI). In contrast to previous studies restricted to horizontal (x–y) averaging, we also demonstrate the presence of large-scale fields when vertical (y–z) averaging is employed instead. By computing space–time planar averaged fields and power spectra, we find large-scale dynamo action in the early MRI growth phase – a previously unidentified feature. Non-axisymmetric linear MRI modes with low horizontal wavenumbers and vertical wavenumbers near that of expected maximal growth, amplify the large-scale fields exponentially before turbulence and high wavenumbermore » fluctuations arise. Thus the large-scale dynamo requires only linear fluctuations but not non-linear turbulence (as defined by mode–mode coupling). Vertical averaging also allows for monitoring the evolution of the large-scale vertical field and we find that a feedback from horizontal low wavenumber MRI modes provides a clue as to why the large-scale vertical field sustains against turbulent diffusion in the non-linear saturation regime. We compute the terms in the mean field equations to identify the individual contributions to large-scale field growth for both types of averaging. The large-scale fields obtained from vertical averaging are found to compare well with global simulations and quasi-linear analytical analysis from a previous study by Ebrahimi & Blackman. We discuss the potential implications of these new results for understanding the large-scale MRI dynamo saturation and turbulence.« less

Stabilized finite element methods to simulate the conductances of ion channels

NASA Astrophysics Data System (ADS)

Tu, Bin; Xie, Yan; Zhang, Linbo; Lu, Benzhuo

2015-03-01

We have previously developed a finite element simulator, ichannel, to simulate ion transport through three-dimensional ion channel systems via solving the Poisson-Nernst-Planck equations (PNP) and Size-modified Poisson-Nernst-Planck equations (SMPNP), and succeeded in simulating some ion channel systems. However, the iterative solution between the coupled Poisson equation and the Nernst-Planck equations has difficulty converging for some large systems. One reason we found is that the NP equations are advection-dominated diffusion equations, which causes troubles in the usual FE solution. The stabilized schemes have been applied to compute fluids flow in various research fields. However, they have not been studied in the simulation of ion transport through three-dimensional models based on experimentally determined ion channel structures. In this paper, two stabilized techniques, the SUPG and the Pseudo Residual-Free Bubble function (PRFB) are introduced to enhance the numerical robustness and convergence performance of the finite element algorithm in ichannel. The conductances of the voltage dependent anion channel (VDAC) and the anthrax toxin protective antigen pore (PA) are simulated to validate the stabilization techniques. Those two stabilized schemes give reasonable results for the two proteins, with decent agreement with both experimental data and Brownian dynamics (BD) simulations. For a variety of numerical tests, it is found that the simulator effectively avoids previous numerical instability after introducing the stabilization methods. Comparison based on our test data set between the two stabilized schemes indicates both SUPG and PRFB have similar performance (the latter is slightly more accurate and stable), while SUPG is relatively more convenient to implement.

Effect of microfibril twisting in theoretical powder diffraction studies of cellulose Iß

USDA-ARS?s Scientific Manuscript database

Previous studies of calculated diffraction patterns for cellulose crystallites have suggested that the distortions arising once models have been subjected to MD simulation are likely the result of dimensional changes induced by the empirical force field, but have been unable to determine to what ext...

Assessment of optional sediment transport functions via the complex watershed simulation model SWAT

USDA-ARS?s Scientific Manuscript database

The Soil and Water Assessment Tool 2012 (SWAT2012) offers four sediment routing methods as optional alternatives to the default simplified Bagnold method. Previous studies compared only one of these alternative sediment routing methods with the default method. The proposed study evaluated the impac...

Chemical warfare agent simulants for human volunteer trials of emergency decontamination: A systematic review

PubMed Central

Wyke, Stacey; Marczylo, Tim; Collins, Samuel; Gaulton, Tom; Foxall, Kerry; Amlôt, Richard; Duarte‐Davidson, Raquel

2017-01-01

Abstract Incidents involving the release of chemical agents can pose significant risks to public health. In such an event, emergency decontamination of affected casualties may need to be undertaken to reduce injury and possible loss of life. To ensure these methods are effective, human volunteer trials (HVTs) of decontamination protocols, using simulant contaminants, have been conducted. Simulants must be used to mimic the physicochemical properties of more harmful chemicals, while remaining non‐toxic at the dose applied. This review focuses on studies that employed chemical warfare agent simulants in decontamination contexts, to identify those simulants most suitable for use in HVTs of emergency decontamination. Twenty‐two simulants were identified, of which 17 were determined unsuitable for use in HVTs. The remaining simulants (n = 5) were further scrutinized for potential suitability according to toxicity, physicochemical properties and similarities to their equivalent toxic counterparts. Three suitable simulants, for use in HVTs were identified; methyl salicylate (simulant for sulphur mustard), diethyl malonate (simulant for soman) and malathion (simulant for VX or toxic industrial chemicals). All have been safely used in previous HVTs, and have a range of physicochemical properties that would allow useful inference to more toxic chemicals when employed in future studies of emergency decontamination systems. PMID:28990191

Recovery of Weak Factor Loadings When Adding the Mean Structure in Confirmatory Factor Analysis: A Simulation Study

PubMed Central

Ximénez, Carmen

2016-01-01

This article extends previous research on the recovery of weak factor loadings in confirmatory factor analysis (CFA) by exploring the effects of adding the mean structure. This issue has not been examined in previous research. This study is based on the framework of Yung and Bentler (1999) and aims to examine the conditions that affect the recovery of weak factor loadings when the model includes the mean structure, compared to analyzing the covariance structure alone. A simulation study was conducted in which several constraints were defined for one-, two-, and three-factor models. Results show that adding the mean structure improves the recovery of weak factor loadings and reduces the asymptotic variances for the factor loadings, particularly for the models with a smaller number of factors and a small sample size. Therefore, under certain circumstances, modeling the means should be seriously considered for covariance models containing weak factor loadings. PMID:26779071

Use of a national continuing medical education meeting to provide simulation-based training in temporary hemodialysis catheter insertion skills: a pre-test post-test study.

PubMed

Clark, Edward G; Paparello, James J; Wayne, Diane B; Edwards, Cedric; Hoar, Stephanie; McQuillan, Rory; Schachter, Michael E; Barsuk, Jeffrey H

2014-01-01

Simulation-based-mastery-learning (SBML) is an effective method to train nephrology fellows to competently insert temporary, non-tunneled hemodialysis catheters (NTHCs). Previous studies of SBML for NTHC-insertion have been conducted at a local level. Determine if SBML for NTHC-insertion can be effective when provided at a national continuing medical education (CME) meeting. Describe the correlation of demographic factors, prior experience with NTHC-insertion and procedural self-confidence with simulated performance of the procedure. Pre-test - post-test study. 2014 Canadian Society of Nephrology annual meeting. Nephrology fellows, internal medicine residents and medical students. Participants were surveyed regarding demographics, prior NTHC-insertion experience, procedural self-confidence and attitudes regarding the training they received. NTHC-insertion skills were assessed using a 28-item checklist. Participants underwent a pre-test of their NTHC-insertion skills at the internal jugular site using a realistic patient simulator and ultrasound machine. Participants then had a training session that included a didactic presentation and 2 hours of deliberate practice using the simulator. On the following day, trainees completed a post-test of their NTHC-insertion skills. All participants were required to meet or exceed a minimum passing score (MPS) previously set at 79%. Trainees who did not reach the MPS were required to perform more deliberate practice until the MPS was achieved. Twenty-two individuals participated in SBML training. None met or exceeded the MPS at baseline with a median checklist score of 20 (IQR, 7.25 to 21). Seventeen of 22 participants (77%) completed post-testing and improved their scores to a median of 27 (IQR, 26 to 28; p < 0.001). All met or exceeded the MPS on their first attempt. There were no significant correlations between demographics, prior experience or procedural self-confidence with pre-test performance. Small sample-size and self-selection of participants. Costs could limit the long-term feasibility of providing this type of training at a CME conference. Despite most participants reporting having previously inserted NTHCs in clinical practice, none met the MPS at baseline; this suggests their prior training may have been inadequate.

Facilitating higher-fidelity simulations of axial compressor instability and other turbomachinery flow conditions

NASA Astrophysics Data System (ADS)

Herrick, Gregory Paul

The quest to accurately capture flow phenomena with length-scales both short and long and to accurately represent complex flow phenomena within disparately sized geometry inspires a need for an efficient, high-fidelity, multi-block structured computational fluid dynamics (CFD) parallel computational scheme. This research presents and demonstrates a more efficient computational method by which to perform multi-block structured CFD parallel computational simulations, thus facilitating higher-fidelity solutions of complicated geometries (due to the inclusion of grids for "small'' flow areas which are often merely modeled) and their associated flows. This computational framework offers greater flexibility and user-control in allocating the resource balance between process count and wall-clock computation time. The principal modifications implemented in this revision consist of a "multiple grid block per processing core'' software infrastructure and an analytic computation of viscous flux Jacobians. The development of this scheme is largely motivated by the desire to simulate axial compressor stall inception with more complete gridding of the flow passages (including rotor tip clearance regions) than has been previously done while maintaining high computational efficiency (i.e., minimal consumption of computational resources), and thus this paradigm shall be demonstrated with an examination of instability in a transonic axial compressor. However, the paradigm presented herein facilitates CFD simulation of myriad previously impractical geometries and flows and is not limited to detailed analyses of axial compressor flows. While the simulations presented herein were technically possible under the previous structure of the subject software, they were much less computationally efficient and thus not pragmatically feasible; the previous research using this software to perform three-dimensional, full-annulus, time-accurate, unsteady, full-stage (with sliding-interface) simulations of rotating stall inception in axial compressors utilized tip clearance periodic models, while the scheme here is demonstrated by a simulation of axial compressor stall inception utilizing gridded rotor tip clearance regions. As will be discussed, much previous research---experimental, theoretical, and computational---has suggested that understanding clearance flow behavior is critical to understanding stall inception, and previous computational research efforts which have used tip clearance models have begged the question, "What about the clearance flows?''. This research begins to address that question.

Numerical study of transient evolution of lifted jet flames: partially premixed flame propagation and influence of physical dimensions

NASA Astrophysics Data System (ADS)

Chen, Zhi; Ruan, Shaohong; Swaminathan, Nedunchezhian

2016-07-01

Three-dimensional (3D) unsteady Reynolds-averaged Navier-Stokes simulations of a spark-ignited turbulent methane/air jet flame evolving from ignition to stabilisation are conducted for different jet velocities. A partially premixed combustion model is used involving a correlated joint probability density function and both premixed and non-premixed combustion mode contributions. The 3D simulation results for the temporal evolution of the flame's leading edge are compared with previous two-dimensional (2D) results and experimental data. The comparison shows that the final stabilised flame lift-off height is well predicted by both 2D and 3D computations. However, the transient evolution of the flame's leading edge computed from 3D simulation agrees reasonably well with experiment, whereas evident discrepancies were found in the previous 2D study. This difference suggests that the third physical dimension plays an important role during the flame transient evolution process. The flame brush's leading edge displacement speed resulting from reaction, normal and tangential diffusion processes are studied at different typical stages after ignition in order to understand the effect of the third physical dimension further. Substantial differences are found for the reaction and normal diffusion components between 2D and 3D simulations especially in the initial propagation stage. The evolution of reaction progress variable scalar gradients and its interaction with the flow and mixing field in the 3D physical space have an important effect on the flame's leading edge propagation.

Normal modes of synchronous rotation

NASA Astrophysics Data System (ADS)

Varadi, Ferenc; Musotto, Susanna; Moore, William; Schubert, Gerald

2005-07-01

The dynamics of synchronous rotation and physical librations are revisited in order to establish a conceptually simple and general theoretical framework applicable to a variety of problems. Our motivation comes from disagreements between the results of numerical simulations and those of previous theoretical studies, and also because different theoretical studies disagree on basic features of the dynamics. We approach the problem by decomposing the orientation matrix of the body into perfectly synchronous rotation and deviation from the equilibrium state. The normal modes of the linearized equations are computed in the case of a circular satellite orbit, yielding both the periods and the eigenspaces of three librations. Libration in longitude decouples from the other two, vertical modes. There is a fast vertical mode with a period very close to the average rotational period. It corresponds to tilting the body around a horizontal axis while retaining nearly principal-axis rotation. In the inertial frame, this mode appears as nutation and free precession. The other vertical mode, a slow one, is the free wobble. The effects of the nodal precession of the orbit are investigated from the point of view of Cassini states. We test our theory using numerical simulations of the full equations of the dynamics and discuss the disagreements among our study and previous ones. The numerical simulations also reveal that in the case of eccentric orbits large departures from principal-axis rotation are possible due to a resonance between free precession and wobble. We also revisit the history of the Moon's rotational state and show that it switched from one Cassini state to another when it was at 46.2 Earth radii. This number disagrees with the value 34.2 derived in a previous study.

A Computational and Experimental Study of Resonators in Three Dimensions

NASA Technical Reports Server (NTRS)

Tam, C. K. W.; Ju, H.; Jones, Michael G.; Watson, Willie R.; Parrott, Tony L.

2009-01-01

In a previous work by the present authors, a computational and experimental investigation of the acoustic properties of two-dimensional slit resonators was carried out. The present paper reports the results of a study extending the previous work to three dimensions. This investigation has two basic objectives. The first is to validate the computed results from direct numerical simulations of the flow and acoustic fields of slit resonators in three dimensions by comparing with experimental measurements in a normal incidence impedance tube. The second objective is to study the flow physics of resonant liners responsible for sound wave dissipation. Extensive comparisons are provided between computed and measured acoustic liner properties with both discrete frequency and broadband sound sources. Good agreements are found over a wide range of frequencies and sound pressure levels. Direct numerical simulation confirms the previous finding in two dimensions that vortex shedding is the dominant dissipation mechanism at high sound pressure intensity. However, it is observed that the behavior of the shed vortices in three dimensions is quite different from those of two dimensions. In three dimensions, the shed vortices tend to evolve into ring (circular in plan form) vortices, even though the slit resonator opening from which the vortices are shed has an aspect ratio of 2.5. Under the excitation of discrete frequency sound, the shed vortices align themselves into two regularly spaced vortex trains moving away from the resonator opening in opposite directions. This is different from the chaotic shedding of vortices found in two-dimensional simulations. The effect of slit aspect ratio at a fixed porosity is briefly studied. For the range of liners considered in this investigation, it is found that the absorption coefficient of a liner increases when the open area of the single slit is subdivided into multiple, smaller slits.

Molecular Dynamics Simulation Study of the Selectivity of a Silica Polymer for Ibuprofen

PubMed Central

Concu, Riccardo; Cordeiro, M. Natalia D. S.

2016-01-01

In the past few years, the sol-gel polycondensation technique has been increasingly employed with great success as an alternative approach to the preparation of molecularly imprinted materials (MIMs). The main aim of this study was to study, through a series of molecular dynamics (MD) simulations, the selectivity of an imprinted silica xerogel towards a new template—the (±)-2-(P-Isobutylphenyl) propionic acid (Ibuprofen, IBU). We have previously demonstrated the affinity of this silica xerogel toward a similar molecule. In the present study, we simulated the imprinting process occurring in a sol-gel mixture using the Optimized Potentials for Liquid Simulations-All Atom (OPLS-AA) force field, in order to evaluate the selectivity of this xerogel for a template molecule. In addition, for the first time, we have developed and verified a new parameterisation for the Ibuprofen® based on the OPLS-AA framework. To evaluate the selectivity of the polymer, we have employed both the radial distribution functions, interaction energies and cluster analyses. PMID:27399685

Molecular Dynamics Simulation Study of the Selectivity of a Silica Polymer for Ibuprofen.

PubMed

Concu, Riccardo; Cordeiro, M Natalia D S

2016-07-07

In the past few years, the sol-gel polycondensation technique has been increasingly employed with great success as an alternative approach to the preparation of molecularly imprinted materials (MIMs). The main aim of this study was to study, through a series of molecular dynamics (MD) simulations, the selectivity of an imprinted silica xerogel towards a new template-the (±)-2-(P-Isobutylphenyl) propionic acid (Ibuprofen, IBU). We have previously demonstrated the affinity of this silica xerogel toward a similar molecule. In the present study, we simulated the imprinting process occurring in a sol-gel mixture using the Optimized Potentials for Liquid Simulations-All Atom (OPLS-AA) force field, in order to evaluate the selectivity of this xerogel for a template molecule. In addition, for the first time, we have developed and verified a new parameterisation for the Ibuprofen(®) based on the OPLS-AA framework. To evaluate the selectivity of the polymer, we have employed both the radial distribution functions, interaction energies and cluster analyses.

Simulating floods in the Amazon River Basin: Impacts of new river geomorphic and dynamic flow parameterizations

NASA Astrophysics Data System (ADS)

Coe, M. T.; Costa, M. H.; Howard, E. A.

2006-12-01

In this paper we analyze the hydrology of the Amazon River system for the latter half of the 20th century with our recently completed model of terrestrial hydrology (Terrestrial Hydrology Model with Biogeochemistry, THMB). We evaluate the simulated hydrology of the Central Amazon basin against limited observations of river discharge, floodplain inundation, and water height and analyze the spatial and temporal variability of the hydrology for the period 1939-1998. We compare the simulated discharge and floodplain inundated area to the simulations by Coe et al., 2002 using a previous version of this model. The new model simulates the discharge and flooded area in better agreement with the observations than the previous model. The coefficient of correlation between the simulated and observed discharge for the greater than 27000 monthly observations of discharge at 120 sites throughout the Brazilian Amazon is 0.9874 compared to 0.9744 for the previous model. The coefficient of correlation between the simulated monthly flooded area and the satellite-based estimates by Sippel et al., 1998 exceeds 0.7 for 8 of the 12 mainstem reaches. The seasonal and inter-annual variability of the water height and the river slope compares favorably to the satellite altimetric measurements of height reported by Birkett et al., 2002.

Biologically-inspired hexapod robot design and simulation

NASA Technical Reports Server (NTRS)

Espenschied, Kenneth S.; Quinn, Roger D.

1994-01-01

The design and construction of a biologically-inspired hexapod robot is presented. A previously developed simulation is modified to include models of the DC drive motors, the motor driver circuits and their transmissions. The application of this simulation to the design and development of the robot is discussed. The mechanisms thought to be responsible for the leg coordination of the walking stick insect were previously applied to control the straight-line locomotion of a robot. We generalized these rules for a robot walking on a plane. This biologically-inspired control strategy is used to control the robot in simulation. Numerical results show that the general body motion and performance of the simulated robot is similar to that of the robot based on our preliminary experimental results.

Accuracy of Monte Carlo simulations compared to in-vivo MDCT dosimetry

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

Bostani, Maryam, E-mail: mbostani@mednet.ucla.edu; McMillan, Kyle; Cagnon, Chris H.

Purpose: The purpose of this study was to assess the accuracy of a Monte Carlo simulation-based method for estimating radiation dose from multidetector computed tomography (MDCT) by comparing simulated doses in ten patients to in-vivo dose measurements. Methods: MD Anderson Cancer Center Institutional Review Board approved the acquisition of in-vivo rectal dose measurements in a pilot study of ten patients undergoing virtual colonoscopy. The dose measurements were obtained by affixing TLD capsules to the inner lumen of rectal catheters. Voxelized patient models were generated from the MDCT images of the ten patients, and the dose to the TLD for allmore » exposures was estimated using Monte Carlo based simulations. The Monte Carlo simulation results were compared to the in-vivo dose measurements to determine accuracy. Results: The calculated mean percent difference between TLD measurements and Monte Carlo simulations was −4.9% with standard deviation of 8.7% and a range of −22.7% to 5.7%. Conclusions: The results of this study demonstrate very good agreement between simulated and measured doses in-vivo. Taken together with previous validation efforts, this work demonstrates that the Monte Carlo simulation methods can provide accurate estimates of radiation dose in patients undergoing CT examinations.« less

Process-Oriented Diagnostics of Tropical Cyclones in Global Climate Models

NASA Astrophysics Data System (ADS)

Moon, Y.; Kim, D.; Camargo, S. J.; Wing, A. A.; Sobel, A. H.; Bosilovich, M. G.; Murakami, H.; Reed, K. A.; Vecchi, G. A.; Wehner, M. F.; Zarzycki, C. M.; Zhao, M.

2017-12-01

Simulating tropical cyclone (TC) activity with global climate models (GCMs) remains a challenging problem. While some GCMs are able to simulate TC activity that is in good agreement with the observations, many other models exhibit strong biases. Decreasing horizontal grid spacing of the GCM simulations tends to improve the characteristics of simulated TCs, but this enhancement alone does not necessarily lead to greater skill in simulating TC activity. This study uses process-based diagnostics to identify model characteristics that could explain why some GCM simulations are able to produce more realistic TC activity than others. The diagnostics examine how convection, moisture, clouds and related processes are coupled at individual grid points, which yields useful information into how convective parameterizations interact with resolved model dynamics. These diagnostics share similarities with those originally developed to examine the Madden-Julian Oscillations in climate models. This study will examine TCs in eight different GCM simulations performed at NOAA/GFDL, NCAR and NASA that have different horizontal resolutions and ocean coupling. Preliminary results suggest that stronger TCs are closely associated with greater rainfall - thus greater diabatic heating - in the inner-core regions of the storms, which is consistent with previous theoretical studies. Other storm characteristics that can be used to infer why GCM simulations with comparable horizontal grid spacings produce different TC activity will be examined.

Evaluating the Impact of Classroom Education on the Management of Septic Shock Using Human Patient Simulation.

PubMed

Lighthall, Geoffrey K; Bahmani, Dona; Gaba, David

2016-02-01

Classroom lectures are the mainstay of imparting knowledge in a structured manner and have the additional goals of stimulating critical thinking, lifelong learning, and improvements in patient care. The impact of lectures on patient care is difficult to examine in critical care because of the heterogeneity in patient conditions and personnel as well as confounders such as time pressure, interruptions, fatigue, and nonstandardized observation methods. The critical care environment was recreated in a simulation laboratory using a high-fidelity mannequin simulator, where a mannequin simulator with a standardized script for septic shock was presented to trainees. The reproducibility of this patient and associated conditions allowed the evaluation of "clinical performance" in the management of septic shock. In a previous study, we developed and validated tools for the quantitative analysis of house staff managing septic shock simulations. In the present analysis, we examined whether measures of clinical performance were improved in those cases where a lecture on the management of shock preceded a simulated exercise on the management of septic shock. The administration of the septic shock simulations allowed for performance measurements to be calculated for both medical interns and for subsequent management by a larger resident-led team. The analysis revealed that receiving a lecture on shock before managing a simulated patient with septic shock did not produce scores higher than for those who did not receive the previous lecture. This result was similar for both interns managing the patient and for subsequent management by a resident-led team. We failed to find an immediate impact on clinical performance in simulations of septic shock after a lecture on the management of this syndrome. Lectures are likely not a reliable sole method for improving clinical performance in the management of complex disease processes.

Emergency in the clinic: a simulation curriculum to improve outpatient safety.

PubMed

Espey, Eve; Baty, Gillian; Rask, John; Chungtuyco, Michelle; Pereda, Brenda; Leeman, Lawrence

2017-12-01

Emergency response skills are essential when events such as seizure, anaphylaxis, or hemorrhage occur in the outpatient setting. As services and procedures increasingly move outside the hospital, training to manage complications may improve outcomes. The objective of this study was to evaluate a simulation-based curriculum in outpatient emergency management skills with the outcome measures of graded objective performance and learner self-efficacy. This pre- and postcurriculum study enrolled residents and fellows in Obstetrics and Gynecology and Family Medicine in a simulation-based, outpatient emergency management curriculum. Learners completed self-efficacy questionnaires and were videotaped managing 3 medical emergency scenarios (seizure, over-sedation/cardiopulmonary arrest, and hemorrhage) in the simulation laboratory both before and after completion of the curriculum. Evaluators who were blinded to training level scored the simulation performance videotapes using a graded rubric with critical action checklists. Scenario scores were assigned in 5 domains and globally. Paired t-tests were used to determine differences pre- and postcurriculum. Thirty residents completed the curriculum and pre- and postcurriculum testing. Subjects' objective performance scores improved in all 5 domains (P<.05) in all scenarios. When scores were stratified by level of training, all participants demonstrated global improvement. When scores were stratified by previous outpatient simulation experience, subjects with previous experience improved in all but management of excess sedation. Pre- and postcurriculum self-efficacy evaluations demonstrated improvement in all 7 measured areas: confidence, use of appropriate resources, communication skills, complex airway management, bag mask ventilation, resuscitation, and hemorrhage management. Self-efficacy assessment showed improvement in confidence managing outpatient emergencies (P=.001) and ability to communicate well in emergency situations (P<.001). A simulation-based curriculum improved both self-efficacy and objectively rated performance scores in management of outpatient medical emergencies. Simulation-based curricula should be incorporated into residency education. Copyright © 2017 Elsevier Inc. All rights reserved.

Exploring the observational constraints on the simulation of brown carbon

NASA Astrophysics Data System (ADS)

Wang, Xuan; Heald, Colette L.; Liu, Jiumeng; Weber, Rodney J.; Campuzano-Jost, Pedro; Jimenez, Jose L.; Schwarz, Joshua P.; Perring, Anne E.

2018-01-01

Organic aerosols (OA) that strongly absorb solar radiation in the near-UV are referred to as brown carbon (BrC). The sources, evolution, and optical properties of BrC remain highly uncertain and contribute significantly to uncertainty in the estimate of the global direct radiative effect (DRE) of aerosols. Previous modeling studies of BrC optical properties and DRE have been unable to fully evaluate model performance due to the lack of direct measurements of BrC absorption. In this study, we develop a global model simulation (GEOS-Chem) of BrC and test it against BrC absorption measurements from two aircraft campaigns in the continental US (SEAC4RS and DC3). To the best of our knowledge, this is the first study to compare simulated BrC absorption with direct aircraft measurements. We show that BrC absorption properties estimated based on previous laboratory measurements agree with the aircraft measurements of freshly emitted BrC absorption but overestimate aged BrC absorption. In addition, applying a photochemical scheme to simulate bleaching/degradation of BrC improves model skill. The airborne observations are therefore consistent with a mass absorption coefficient (MAC) of freshly emitted biomass burning OA of 1.33 m2 g-1 at 365 nm coupled with a 1-day whitening e-folding time. Using the GEOS-Chem chemical transport model integrated with the RRTMG radiative transfer model, we estimate that the top-of-the-atmosphere all-sky direct radiative effect (DRE) of OA is -0.344 Wm-2, 10 % higher than that without consideration of BrC absorption. Therefore, our best estimate of the absorption DRE of BrC is +0.048 Wm-2. We suggest that the DRE of BrC has been overestimated previously due to the lack of observational constraints from direct measurements and omission of the effects of photochemical whitening.

An optimized data fusion method and its application to improve lateral boundary conditions in winter for Pearl River Delta regional PM2.5 modeling, China

NASA Astrophysics Data System (ADS)

Huang, Zhijiong; Hu, Yongtao; Zheng, Junyu; Zhai, Xinxin; Huang, Ran

2018-05-01

Lateral boundary conditions (LBCs) are essential for chemical transport models to simulate regional transport; however they often contain large uncertainties. This study proposes an optimized data fusion approach to reduce the bias of LBCs by fusing gridded model outputs, from which the daughter domain's LBCs are derived, with ground-level measurements. The optimized data fusion approach follows the framework of a previous interpolation-based fusion method but improves it by using a bias kriging method to correct the spatial bias in gridded model outputs. Cross-validation shows that the optimized approach better estimates fused fields in areas with a large number of observations compared to the previous interpolation-based method. The optimized approach was applied to correct LBCs of PM2.5 concentrations for simulations in the Pearl River Delta (PRD) region as a case study. Evaluations show that the LBCs corrected by data fusion improve in-domain PM2.5 simulations in terms of the magnitude and temporal variance. Correlation increases by 0.13-0.18 and fractional bias (FB) decreases by approximately 3%-15%. This study demonstrates the feasibility of applying data fusion to improve regional air quality modeling.

Assessing Orchestrated Simulation Through Modeling to Quantify the Benefits of Unmanned-Teaming in a Tactical ASW Scenario

DTIC Science & Technology

2018-03-01

Results are compared to a previous study using a similar design of experiments but different simulation software. The baseline scenario for exploring the...behaviors are mimicked in this research, enabling Solem’s MANA results to be compared to our LITMUS’ results. By design , the principal difference...missions when using the second order NOLH, and compares favorably with the over six million in the full factorial design . 3. Advantages of Cluster

A finite element method for the thermochemical decomposition of polymeric materials. II - Carbon phenolic composites

NASA Technical Reports Server (NTRS)

Sullivan, R. M.; Salamon, N. J.

1992-01-01

A previously developed formulation for modeling the thermomechanical behavior of chemically decomposing, polymeric materials is verified by simulating the response of carbon phenolic specimens during two high temperature tests: restrained thermal growth and free thermal expansion. Plane strain and plane stress models are used to simulate the specimen response, respectively. In addition, the influence of the poroelasticity constants upon the specimen response is examined through a series of parametric studies.

Tabulation as a high-resolution alternative to coarse-graining protein interactions: Initial application to virus capsid subunits

NASA Astrophysics Data System (ADS)

Spiriti, Justin; Zuckerman, Daniel M.

2015-12-01

Traditional coarse-graining based on a reduced number of interaction sites often entails a significant sacrifice of chemical accuracy. As an alternative, we present a method for simulating large systems composed of interacting macromolecules using an energy tabulation strategy previously devised for small rigid molecules or molecular fragments [S. Lettieri and D. M. Zuckerman, J. Comput. Chem. 33, 268-275 (2012); J. Spiriti and D. M. Zuckerman, J. Chem. Theory Comput. 10, 5161-5177 (2014)]. We treat proteins as rigid and construct distance and orientation-dependent tables of the interaction energy between them. Arbitrarily detailed interactions may be incorporated into the tables, but as a proof-of-principle, we tabulate a simple α-carbon Gō-like model for interactions between dimeric subunits of the hepatitis B viral capsid. This model is significantly more structurally realistic than previous models used in capsid assembly studies. We are able to increase the speed of Monte Carlo simulations by a factor of up to 6700 compared to simulations without tables, with only minimal further loss in accuracy. To obtain further enhancement of sampling, we combine tabulation with the weighted ensemble (WE) method, in which multiple parallel simulations are occasionally replicated or pruned in order to sample targeted regions of a reaction coordinate space. In the initial study reported here, WE is able to yield pathways of the final ˜25% of the assembly process.

Microstructure-sensitive small fatigue crack growth assessment. Effect of strain ratio multiaxial strain state and geometric discontinuities

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

Castelluccio, Gustavo M.; McDowell, David L.

Fatigue crack initiation in the high cycle fatigue regime is strongly influenced by microstructural features. Research efforts have usually focused on predicting fatigue resistance against crack incubation without considering the early fatigue crack growth after encountering the first grain boundary. However, a significant fraction of the variability of the total fatigue life can be attributed to growth of small cracks as they encounter the first few grain boundaries, rather than crack formation within the first grain. Our paper builds on the framework previously developed by the authors to assess microstructure-sensitive small fatigue crack formation and early growth under complex loadingmore » conditions. Moreover, the scheme employs finite element simulations that explicitly render grains and crystallographic directions along with simulation of microstructurally small fatigue crack growth from grain to grain. The methodology employs a crystal plasticity algorithm in ABAQUS that was previously calibrated to study fatigue crack initiation in RR1000 Ni-base superalloy. Our work present simulations with non-zero applied mean strains and geometric discontinuities that were not previously considered for calibration. Results exhibit trends similar to those found in experiments for multiple metallic materials, conveying a consistent physical description of fatigue damage phenomena.« less

Microstructure-sensitive small fatigue crack growth assessment. Effect of strain ratio multiaxial strain state and geometric discontinuities

DOE PAGES

Castelluccio, Gustavo M.; McDowell, David L.

2015-09-16

Fatigue crack initiation in the high cycle fatigue regime is strongly influenced by microstructural features. Research efforts have usually focused on predicting fatigue resistance against crack incubation without considering the early fatigue crack growth after encountering the first grain boundary. However, a significant fraction of the variability of the total fatigue life can be attributed to growth of small cracks as they encounter the first few grain boundaries, rather than crack formation within the first grain. Our paper builds on the framework previously developed by the authors to assess microstructure-sensitive small fatigue crack formation and early growth under complex loadingmore » conditions. Moreover, the scheme employs finite element simulations that explicitly render grains and crystallographic directions along with simulation of microstructurally small fatigue crack growth from grain to grain. The methodology employs a crystal plasticity algorithm in ABAQUS that was previously calibrated to study fatigue crack initiation in RR1000 Ni-base superalloy. Our work present simulations with non-zero applied mean strains and geometric discontinuities that were not previously considered for calibration. Results exhibit trends similar to those found in experiments for multiple metallic materials, conveying a consistent physical description of fatigue damage phenomena.« less

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

Not Available

Some of the major technical questions associated with the burial of radioactive high-level wastes in geologic formations are related to the thermal environments generated by the waste and the impact of this dissipated heat on the surrounding environment. The design of a high level waste storage facility must be such that the temperature variations that occur do not adversely affect operating personnel and equipment. The objective of this investigation was to assist OWI by determining the thermal environment that would be experienced by personnel and equipment in a waste storage facility in salt. Particular emphasis was placed on determining themore » maximum floor and air temperatures with and without ventilation in the first 30 years after waste emplacement. The assumed facility design differs somewhat from those previously analyzed and reported, but many of the previous parametric surveys are useful for comparison. In this investigation a number of 2-dimensional and 3-dimensional simulations of the heat flow in a repository have been performed on the HEATING5 and TRUMP heat transfer codes. The representative repository constructs used in the simulations are described, as well as the computational models and computer codes. Results of the simulations are presented and discussed. Comparisons are made between the recent results and those from previous analyses. Finally, a summary of study limitations, comparisons, and conclusions is given.« less

Towards Direct Simulation of Future Tropical Cyclone Statistics in a High-Resolution Global Atmospheric Model

DOE PAGES

Wehner, Michael F.; Bala, G.; Duffy, Phillip; ...

2010-01-01

We present a set of high-resolution global atmospheric general circulation model (AGCM) simulations focusing on the model's ability to represent tropical storms and their statistics. We find that the model produces storms of hurricane strength with realistic dynamical features. We also find that tropical storm statistics are reasonable, both globally and in the north Atlantic, when compared to recent observations. The sensitivity of simulated tropical storm statistics to increases in sea surface temperature (SST) is also investigated, revealing that a credible late 21st century SST increase produced increases in simulated tropical storm numbers and intensities in all ocean basins. Whilemore » this paper supports previous high-resolution model and theoretical findings that the frequency of very intense storms will increase in a warmer climate, it differs notably from previous medium and high-resolution model studies that show a global reduction in total tropical storm frequency. However, we are quick to point out that this particular model finding remains speculative due to a lack of radiative forcing changes in our time-slice experiments as well as a focus on the Northern hemisphere tropical storm seasons.« less

Exploring the observational constraints on the simulation of brown carbon

NASA Astrophysics Data System (ADS)

Wang, X.; Heald, C. L.; Liu, J.; Weber, R. J.; Campuzano-Jost, P.; Jimenez, J. L.; Schwarz, J. P.; Perring, A. E.

2017-12-01

Brown carbon (BrC) is the component of organic aerosols (OA) which strongly absorbs solar radiation in the near-UV range of the spectrum. However the sources, evolution, and optical properties of BrC remain highly uncertain, and therefore constitute a large source of uncertainty in estimating the global direct radiative effect (DRE) of aerosols. Previous modeling studies of BrC optical properties and DRE have been unable to fully evaluate the skill of their simulations, given the lack of direct measurements of organic aerosol absorption. In this study, we develop a global model simulation (GEOS-Chem) of BrC and test it against BrC absorption measurements from two aircraft campaigns in the U.S. (SEAC4RS and DC3). To our knowledge, this is the first study to compare simulated BrC absorption with direct, continuous ambient measurements. We show that the laboratory-based BrC absorption properties from biomass burning overestimate the aircraft measurements of ambient BrC. In addition, applying a photochemical whitening scheme to simulated BrC is better able to represent the observed BrC absorption. These observations are consistent with a mass absorption coefficient (MAC) of freshly emitted biomass burning OA of 0.57m2g-1. Using the RRTMG model integrated with GEOS-Chem, we estimate that the all-sky top-of-atmosphere direct radiative effect (DRE) of OA is -0.350 Wm-2, 10% higher than that without consideration of BrC absorption. Therefore, our best estimate of the absorption DRE of BrC is +0.042 Wm-2. We suggest that the DRE of BrC has been overestimated previously due to the lack of observational constraints from direct measurements as well as neglect of the effects of photochemical whitening.

Investigation of the impact of high liquid viscosity on jet atomization in crossflow via high-fidelity simulations

NASA Astrophysics Data System (ADS)

Li, Xiaoyi; Gao, Hui; Soteriou, Marios C.

2017-08-01

Atomization of extremely high viscosity liquid can be of interest for many applications in aerospace, automotive, pharmaceutical, and food industries. While detailed atomization measurements usually face grand challenges, high-fidelity numerical simulations offer the advantage to comprehensively explore the atomization details. In this work, a previously validated high-fidelity first-principle simulation code HiMIST is utilized to simulate high-viscosity liquid jet atomization in crossflow. The code is used to perform a parametric study of the atomization process in a wide range of Ohnesorge numbers (Oh = 0.004-2) and Weber numbers (We = 10-160). Direct comparisons between the present study and previously published low-viscosity jet in crossflow results are performed. The effects of viscous damping and slowing on jet penetration, liquid surface instabilities, ligament formation/breakup, and subsequent droplet formation are investigated. Complex variations in near-field and far-field jet penetrations with increasing Oh at different We are observed and linked with the underlying jet deformation and breakup physics. Transition in breakup regimes and increase in droplet size with increasing Oh are observed, mostly consistent with the literature reports. The detailed simulations elucidate a distinctive edge-ligament-breakup dominated process with long surviving ligaments for the higher Oh cases, as opposed to a two-stage edge-stripping/column-fracture process for the lower Oh counterparts. The trend of decreasing column deflection with increasing We is reversed as Oh increases. A predominantly unimodal droplet size distribution is predicted at higher Oh, in contrast to the bimodal distribution at lower Oh. It has been found that both Rayleigh-Taylor and Kelvin-Helmholtz linear stability theories cannot be easily applied to interpret the distinct edge breakup process and further study of the underlying physics is needed.

Parallel Large-Scale Molecular Dynamics Simulation Opens New Perspective to Clarify the Effect of a Porous Structure on the Sintering Process of Ni/YSZ Multiparticles.

PubMed

Xu, Jingxiang; Higuchi, Yuji; Ozawa, Nobuki; Sato, Kazuhisa; Hashida, Toshiyuki; Kubo, Momoji

2017-09-20

Ni sintering in the Ni/YSZ porous anode of a solid oxide fuel cell changes the porous structure, leading to degradation. Preventing sintering and degradation during operation is a great challenge. Usually, a sintering molecular dynamics (MD) simulation model consisting of two particles on a substrate is used; however, the model cannot reflect the porous structure effect on sintering. In our previous study, a multi-nanoparticle sintering modeling method with tens of thousands of atoms revealed the effect of the particle framework and porosity on sintering. However, the method cannot reveal the effect of the particle size on sintering and the effect of sintering on the change in the porous structure. In the present study, we report a strategy to reveal them in the porous structure by using our multi-nanoparticle modeling method and a parallel large-scale multimillion-atom MD simulator. We used this method to investigate the effect of YSZ particle size and tortuosity on sintering and degradation in the Ni/YSZ anodes. Our parallel large-scale MD simulation showed that the sintering degree decreased as the YSZ particle size decreased. The gas fuel diffusion path, which reflects the overpotential, was blocked by pore coalescence during sintering. The degradation of gas diffusion performance increased as the YSZ particle size increased. Furthermore, the gas diffusion performance was quantified by a tortuosity parameter and an optimal YSZ particle size, which is equal to that of Ni, was found for good diffusion after sintering. These findings cannot be obtained by previous MD sintering studies with tens of thousands of atoms. The present parallel large-scale multimillion-atom MD simulation makes it possible to clarify the effects of the particle size and tortuosity on sintering and degradation.

Synapse-Centric Mapping of Cortical Models to the SpiNNaker Neuromorphic Architecture

PubMed Central

Knight, James C.; Furber, Steve B.

2016-01-01

While the adult human brain has approximately 8.8 × 1010 neurons, this number is dwarfed by its 1 × 1015 synapses. From the point of view of neuromorphic engineering and neural simulation in general this makes the simulation of these synapses a particularly complex problem. SpiNNaker is a digital, neuromorphic architecture designed for simulating large-scale spiking neural networks at speeds close to biological real-time. Current solutions for simulating spiking neural networks on SpiNNaker are heavily inspired by work on distributed high-performance computing. However, while SpiNNaker shares many characteristics with such distributed systems, its component nodes have much more limited resources and, as the system lacks global synchronization, the computation performed on each node must complete within a fixed time step. We first analyze the performance of the current SpiNNaker neural simulation software and identify several problems that occur when it is used to simulate networks of the type often used to model the cortex which contain large numbers of sparsely connected synapses. We then present a new, more flexible approach for mapping the simulation of such networks to SpiNNaker which solves many of these problems. Finally we analyze the performance of our new approach using both benchmarks, designed to represent cortical connectivity, and larger, functional cortical models. In a benchmark network where neurons receive input from 8000 STDP synapses, our new approach allows 4× more neurons to be simulated on each SpiNNaker core than has been previously possible. We also demonstrate that the largest plastic neural network previously simulated on neuromorphic hardware can be run in real time using our new approach: double the speed that was previously achieved. Additionally this network contains two types of plastic synapse which previously had to be trained separately but, using our new approach, can be trained simultaneously. PMID:27683540

Application of a Method of Estimating DIF for Polytomous Test Items.

ERIC Educational Resources Information Center

Camilli, Gregory; Congdon, Peter

1999-01-01

Demonstrates a method for studying differential item functioning (DIF) that can be used with dichotomous or polytomous items and that is valid for data that follow a partial credit Item Response Theory model. A simulation study shows that positively biased Type I error rates are in accord with results from previous studies. (SLD)

Simulation of the Effect of Different Presbyopia-Correcting Intraocular Lenses With Eyes With Previous Laser Refractive Surgery.

PubMed

Camps, Vicente J; Miret, Juan J; García, Celia; Tolosa, Angel; Piñero, David P

2018-04-01

To simulate the optical performance of three presbyopia-correcting intraocular lenses (IOLs) implanted in eyes with previous laser refractive surgery. A simulation of the through-focus modulation transfer function (MTF) was performed for three presbyopia-correcting IOLs (Mplus, Oculentis GmbH, Berlin, Germany; Symfony, Johnson & Johnson Vision, Santa Ana, CA; and Mini Well, SIFI S.p.A., Lavinaio, Italy) in one eye with previous myopic LASIK and another with hyperopic LASIK. Real topographic data and the wavefront aberration profile of each IOL obtained with a Hartmann-Shack sensor were used. In the eye with myopic LASIK, all IOLs lost optical quality at near and intermediate distances for 4- and 4.7-mm pupil size. For 3-mm pupil size, the Mini Well IOL showed the best intermediate and near MTF and maintained the far focus independently of the pupil. In the eye with hyperopic LASIK, the Mini Well IOL showed an intermediate, distance, and -4.00-diopter (D) foci for all pupils. The Symfony IOL showed a depth of focus at far and intermediate distance for 3-mm and a focus at -2.50 D in the rest. The Mplus showed a focus of -4.50 and -3.00 D for the 3- and 4-mm pupil, respectively. The Mini Well and Symfony IOLs seem to work better than the Mplus IOL in eyes with previous myopic LASIK. With previous hyperopic LASIK, the Mini Well IOL seems to be able to provide acceptable near, intermediate, and far foci for all pupil sizes. These findings should be confirmed in future clinical studies. [J Refract Surg. 2018;34(4):222-227.]. Copyright 2018, SLACK Incorporated.

Role of facet curvature for accurate vertebral facet load analysis.

PubMed

Holzapfel, Gerhard A; Stadler, Michael

2006-06-01

The curvature of vertebral facet joints may play an important role in the study of load-bearing characteristics and clinical interventions such as graded facetectomy. In previously-published finite element simulations of this procedure, the curvature was either neglected or approximated with a varying degree of accuracy. Here we study the effect of the curvature in three different load situations by using a numerical model which is able to represent the actual curvature without any loss of accuracy. The results show that previously-used approximations of the curvature lead to good results in the analysis of sagittal moment/rotation. However, for sagittal shear-force/displacement and for the contact stress distribution, previous results deviate significantly from our results. These findings are supported through related convergence studies. Hence we can conclude that in order to obtain reliable results for the analysis of sagittal shear-force/displacement and the contact stress distribution in the facet joint, the curvature must not be neglected. This is of particular importance for the numerical simulation of the spine, which may lead to improved diagnostics, effective surgical planning and intervention. The proposed method may represent a more reliable basis for optimizing the biomedical engineering design for tissue engineering or, for example, for spinal implants.

Dental Use and Expenditures for Older Uninsured Americans: The Simulated Impact of Expanded Coverage

PubMed Central

Manski, Richard J; Moeller, John F; Chen, Haiyan; Schimmel, Jody; Pepper, John V; St Clair, Patricia A

2015-01-01

Objective To determine if providing dental insurance to older Americans would close the current gaps in dental use and expenditure between insured and uninsured older Americans. Data Sources/Study Setting We used data from the 2008 Health and Retirement Survey (HRS) supplemented by data from the 2006 Medical Expenditure Panel Survey (MEPS). Study Design We compared the simulated dental use and expenditures rates of newly insured persons against the corresponding rates for those previously insured. Data Collection/Extraction Methods The HRS is a nationally representative survey administered by the Institute for Social Research (ISR). The MEPS is a nationally representative household survey sponsored by the Agency for Healthcare Research and Quality (AHRQ). Principal Findings We found that expanding dental coverage to older uninsured Americans would close previous gaps in dental use and expense between uninsured and insured noninstitutionalized Americans 55 years and older. Conclusions Providing dental coverage to previously uninsured older adults would produce estimated monthly costs net of markups for administrative costs that comport closely to current market rates. Estimates also suggest that the total cost of providing dental coverage targeted specifically to nonusers of dental care may be less than similar costs for prior users. PMID:25040355

Model improvements to simulate charging in SEM

NASA Astrophysics Data System (ADS)

Arat, K. T.; Klimpel, T.; Hagen, C. W.

2018-03-01

Charging of insulators is a complex phenomenon to simulate since the accuracy of the simulations is very sensitive to the interaction of electrons with matter and electric fields. In this study, we report model improvements for a previously developed Monte-Carlo simulator to more accurately simulate samples that charge. The improvements include both modelling of low energy electron scattering and charging of insulators. The new first-principle scattering models provide a more realistic charge distribution cloud in the material, and a better match between non-charging simulations and experimental results. Improvements on charging models mainly focus on redistribution of the charge carriers in the material with an induced conductivity (EBIC) and a breakdown model, leading to a smoother distribution of the charges. Combined with a more accurate tracing of low energy electrons in the electric field, we managed to reproduce the dynamically changing charging contrast due to an induced positive surface potential.

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

Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/implicit solvent REMD simulation

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

Yu, Yuqi; Wang, Jinan; Shao, Qiang, E-mail: qshao@mail.shcnc.ac.cn, E-mail: Jiye.Shi@ucb.com, E-mail: wlzhu@mail.shcnc.ac.cn

2015-03-28

The application of temperature replica exchange molecular dynamics (REMD) simulation on protein motion is limited by its huge requirement of computational resource, particularly when explicit solvent model is implemented. In the previous study, we developed a velocity-scaling optimized hybrid explicit/implicit solvent REMD method with the hope to reduce the temperature (replica) number on the premise of maintaining high sampling efficiency. In this study, we utilized this method to characterize and energetically identify the conformational transition pathway of a protein model, the N-terminal domain of calmodulin. In comparison to the standard explicit solvent REMD simulation, the hybrid REMD is much lessmore » computationally expensive but, meanwhile, gives accurate evaluation of the structural and thermodynamic properties of the conformational transition which are in well agreement with the standard REMD simulation. Therefore, the hybrid REMD could highly increase the computational efficiency and thus expand the application of REMD simulation to larger-size protein systems.« less

Optimization of automotive Rankine cycle waste heat recovery under various engine operating condition

NASA Astrophysics Data System (ADS)

Punov, Plamen; Milkov, Nikolay; Danel, Quentin; Perilhon, Christelle; Podevin, Pierre; Evtimov, Teodossi

2017-02-01

An optimization study of the Rankine cycle as a function of diesel engine operating mode is presented. The Rankine cycle here, is studied as a waste heat recovery system which uses the engine exhaust gases as heat source. The engine exhaust gases parameters (temperature, mass flow and composition) were defined by means of numerical simulation in advanced simulation software AVL Boost. Previously, the engine simulation model was validated and the Vibe function parameters were defined as a function of engine load. The Rankine cycle output power and efficiency was numerically estimated by means of a simulation code in Python(x,y). This code includes discretized heat exchanger model and simplified model of the pump and the expander based on their isentropic efficiency. The Rankine cycle simulation revealed the optimum value of working fluid mass flow and evaporation pressure according to the heat source. Thus, the optimal Rankine cycle performance was obtained over the engine operating map.

Numerical simulation of two-dimensional heat transfer in composite bodies with application to de-icing of aircraft components. Ph.D. Thesis. Final Report

NASA Technical Reports Server (NTRS)

Chao, D. F. K.

1983-01-01

Transient, numerical simulations of the de-icing of composite aircraft components by electrothermal heating were performed for a two dimensional rectangular geometry. The implicit Crank-Nicolson formulation was used to insure stability of the finite-difference heat conduction equations and the phase change in the ice layer was simulated using the Enthalpy method. The Gauss-Seidel point iterative method was used to solve the system of difference equations. Numerical solutions illustrating de-icer performance for various composite aircraft structures and environmental conditions are presented. Comparisons are made with previous studies. The simulation can also be used to solve a variety of other heat conduction problems involving composite bodies.

Using growth and arrest of Richtmyer-Meshkov instabilities and Lagrangian simulations to study high-rate material strength

NASA Astrophysics Data System (ADS)

Prime, M. B.; Vaughan, D. E.; Preston, D. L.; Buttler, W. T.; Chen, S. R.; Oró, D. M.; Pack, C.

2014-05-01

Experiments applying a supported shock through mating surfaces (Atwood number = 1) with geometrical perturbations have been proposed for studying strength at strain rates up to 107/s using Richtmyer-Meshkov (RM) instabilities. Buttler et al. recently reported experimental results for RM instability growth in copper but with an unsupported shock applied by high explosives and the geometrical perturbations on the opposite free surface (Atwood number = -1). This novel configuration allowed detailed experimental observation of the instability growth and arrest. We present results and interpretation from numerical simulations of the Buttler RM instability experiments. Highly-resolved, two-dimensional simulations were performed using a Lagrangian hydrocode and the Preston-Tonks-Wallace (PTW) strength model. The model predictions show good agreement with the data. The numerical simulations are used to examine various assumptions previously made in an analytical model and to estimate the sensitivity of such experiments to material strength.

Evaluation of the usefulness of various simulation technology options for TERPS enhancement

NASA Technical Reports Server (NTRS)

Phatak, A. V.; Sorensen, J. A.

1986-01-01

Current approved terminal instrument procedures (TERPS) do not permit the full exploitation of the helicopter's unique flying characteristics. Enhanced TERPS need to be developed for a host of non-standard landing sites and navigation aids. Precision navigation systems such as microwave landing systems (MLS) and the Global Positioning System (GPS) open the possibility of curved paths, steep glide slopes, and decelerating helicopter approaches. This study evaluated the feasibility, benefits, and liabilities of using helicopter cockpit simulators in place of flight testing to develop enhanced TERPS criteria for non-standard flight profiles and navigation equipment. Near-term (2 to 5 year) requirements for conducting simulator studies to verify that they produce suitable data comparable to that obtained from previous flight tests are discussed. The long-term (5 to 10 year) research and development requirements to provide necessary modeling for continued simulator-based testing to develop enhanced TERPS criteria are also outlined.

Evaluating runoff simulations from the Community Land Model 4.0 using observations from flux towers and a mountainous watershed

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

Li, Hongyi; Huang, Maoyi; Wigmosta, Mark S.

2011-12-24

Previous studies using the Community Land Model (CLM) focused on simulating landatmosphere interactions and water balance at continental to global scales, with limited attention paid to its capability for hydrologic simulations at watershed or regional scales. This study evaluates the performance of CLM 4.0 (CLM4) for hydrologic simulations, and explores possible directions of improvement. Specifically, it is found that CLM4 tends to produce unrealistically large temporal variation of runoff for applications at a mountainous catchment in the Northwest United States where subsurface runoff is dominant, as well as at a few flux tower sites. We show that runoff simulations frommore » CLM4 can be improved by: (1) increasing spatial resolution of the land surface representations; (2) calibrating parameter values; (3) replacing the subsurface formulation with a more general nonlinear function; (4) implementing the runoff generation schemes from the Variability Infiltration Capacity (VIC) model. This study also highlights the importance of evaluating both the energy and water fluxes application of land surface models across multiple scales.« less

Linear time algorithms to construct populations fitting multiple constraint distributions at genomic scales.

PubMed

Siragusa, Enrico; Haiminen, Niina; Utro, Filippo; Parida, Laxmi

2017-10-09

Computer simulations can be used to study population genetic methods, models and parameters, as well as to predict potential outcomes. For example, in plant populations, predicting the outcome of breeding operations can be studied using simulations. In-silico construction of populations with pre-specified characteristics is an important task in breeding optimization and other population genetic studies. We present two linear time Simulation using Best-fit Algorithms (SimBA) for two classes of problems where each co-fits two distributions: SimBA-LD fits linkage disequilibrium and minimum allele frequency distributions, while SimBA-hap fits founder-haplotype and polyploid allele dosage distributions. An incremental gap-filling version of previously introduced SimBA-LD is here demonstrated to accurately fit the target distributions, allowing efficient large scale simulations. SimBA-hap accuracy and efficiency is demonstrated by simulating tetraploid populations with varying numbers of founder haplotypes, we evaluate both a linear time greedy algoritm and an optimal solution based on mixed-integer programming. SimBA is available on http://researcher.watson.ibm.com/project/5669.

Quantum nuclear effects in water using centroid molecular dynamics

NASA Astrophysics Data System (ADS)

Kondratyuk, N. D.; Norman, G. E.; Stegailov, V. V.

2018-01-01

The quantum nuclear effects are studied in water using the method of centroid molecular dynamics (CMD). The aim is the calibration of CMD implementation in LAMMPS. The calculated intramolecular energy, atoms gyration radii and radial distribution functions are shown in comparison with previous works. The work is assumed to be the step toward to solution of the discrepancy between the simulation results and the experimental data of liquid n-alkane properties in our previous works.

Driving simulator sickness: Impact on driving performance, influence of blood alcohol concentration, and effect of repeated simulator exposures.

PubMed

Helland, Arne; Lydersen, Stian; Lervåg, Lone-Eirin; Jenssen, Gunnar D; Mørland, Jørg; Slørdal, Lars

2016-09-01

Simulator sickness is a major obstacle to the use of driving simulators for research, training and driver assessment purposes. The purpose of the present study was to investigate the possible influence of simulator sickness on driving performance measures such as standard deviation of lateral position (SDLP), and the effect of alcohol or repeated simulator exposure on the degree of simulator sickness. Twenty healthy male volunteers underwent three simulated driving trials of 1h's duration with a curvy rural road scenario, and rated their degree of simulator sickness after each trial. Subjects drove sober and with blood alcohol concentrations (BAC) of approx. 0.5g/L and 0.9g/L in a randomized order. Simulator sickness score (SSS) did not influence the primary outcome measure SDLP. Higher SSS significantly predicted lower average speed and frequency of steering wheel reversals. These effects seemed to be mitigated by alcohol. Higher BAC significantly predicted lower SSS, suggesting that alcohol inebriation alleviates simulator sickness. The negative relation between the number of previous exposures to the simulator and SSS was not statistically significant, but is consistent with habituation to the sickness-inducing effects, as shown in other studies. Overall, the results suggest no influence of simulator sickness on SDLP or several other driving performance measures. However, simulator sickness seems to cause test subjects to drive more carefully, with lower average speed and fewer steering wheel reversals, hampering the interpretation of these outcomes as measures of driving impairment and safety. BAC and repeated simulator exposures may act as confounding variables by influencing the degree of simulator sickness in experimental studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

An Exploratory Investigation of Teaching Innovations and Learning Factors in a Lean Manufacturing Systems Engineering Course

ERIC Educational Resources Information Center

Choomlucksana, Juthamas; Doolen, Toni L.

2017-01-01

The use of collaborative activities and simulation sessions in engineering education has been explored previously. However, few studies have investigated the relationship of these types of teaching innovations with other learner characteristics, such as self-efficacy and background knowledge. This study explored the effects of collaborative…

What Influences College Students to Continue Using Business Simulation Games? The Taiwan Experience

ERIC Educational Resources Information Center

Tao, Yu-Hui; Cheng, Chieh-Jen; Sun, Szu-Yuan

2009-01-01

Previous studies have pointed out that computer games could improve students' motivation to learn, but these studies have mostly targeted teachers or students in elementary and secondary education and are without user adoption models. Because business and management institutions in higher education have been increasingly using educational…

Using Interval-Based Systems to Measure Behavior in Early Childhood Special Education and Early Intervention

ERIC Educational Resources Information Center

Lane, Justin D.; Ledford, Jennifer R.

2014-01-01

The purpose of this article is to summarize the current literature on the accuracy and reliability of interval systems using data from previously published experimental studies that used either human observations of behavior or computer simulations. Although multiple comparison studies provided mathematical adjustments or modifications to interval…

The Role of Cognitive Abilities in Laparoscopic Simulator Training

ERIC Educational Resources Information Center

Groenier, M.; Schraagen, J. M. C.; Miedema, H. A. T.; Broeders, I. A. J. M.

2014-01-01

Learning minimally invasive surgery (MIS) differs substantially from learning open surgery and trainees differ in their ability to learn MIS. Previous studies mainly focused on the role of visuo-spatial ability (VSA) on the learning curve for MIS. In the current study, the relationship between spatial memory, perceptual speed, and general…

Investigating the impact of design characteristics on statistical efficiency within discrete choice experiments: A systematic survey.

PubMed

Vanniyasingam, Thuva; Daly, Caitlin; Jin, Xuejing; Zhang, Yuan; Foster, Gary; Cunningham, Charles; Thabane, Lehana

2018-06-01

This study reviews simulation studies of discrete choice experiments to determine (i) how survey design features affect statistical efficiency, (ii) and to appraise their reporting quality. Statistical efficiency was measured using relative design (D-) efficiency, D-optimality, or D-error. For this systematic survey, we searched Journal Storage (JSTOR), Since Direct, PubMed, and OVID which included a search within EMBASE. Searches were conducted up to year 2016 for simulation studies investigating the impact of DCE design features on statistical efficiency. Studies were screened and data were extracted independently and in duplicate. Results for each included study were summarized by design characteristic. Previously developed criteria for reporting quality of simulation studies were also adapted and applied to each included study. Of 371 potentially relevant studies, 9 were found to be eligible, with several varying in study objectives. Statistical efficiency improved when increasing the number of choice tasks or alternatives; decreasing the number of attributes, attribute levels; using an unrestricted continuous "manipulator" attribute; using model-based approaches with covariates incorporating response behaviour; using sampling approaches that incorporate previous knowledge of response behaviour; incorporating heterogeneity in a model-based design; correctly specifying Bayesian priors; minimizing parameter prior variances; and using an appropriate method to create the DCE design for the research question. The simulation studies performed well in terms of reporting quality. Improvement is needed in regards to clearly specifying study objectives, number of failures, random number generators, starting seeds, and the software used. These results identify the best approaches to structure a DCE. An investigator can manipulate design characteristics to help reduce response burden and increase statistical efficiency. Since studies varied in their objectives, conclusions were made on several design characteristics, however, the validity of each conclusion was limited. Further research should be conducted to explore all conclusions in various design settings and scenarios. Additional reviews to explore other statistical efficiency outcomes and databases can also be performed to enhance the conclusions identified from this review.

Analysis of the Empathic Concern Subscale of the Emotional Response Questionnaire in a Study Evaluating the Impact of a 3D Cultural Simulation.

PubMed

Everson, Naleya; Levett-Jones, Tracy; Pitt, Victoria; Lapkin, Samuel; Van Der Riet, Pamela; Rossiter, Rachel; Jones, Donovan; Gilligan, Conor; Courtney Pratt, Helen

2018-04-25

Abstract Background Empathic concern has been found to decline in health professional students. Few effective educational programs and a lack of validated scales are reported. Previous analysis of the Empathic Concern scale of the Emotional Response Questionnaire has reported both one and two latent constructs. Aim To evaluate the impact of simulation on nursing students' empathic concern and test the psychometric properties of the Empathic Concern scale. Methods The study used a one group pre-test post-test design with a convenience sample of 460 nursing students. Empathic concern was measured pre-post simulation with the Empathic Concern scale. Factor Analysis was undertaken to investigate the structure of the scale. Results There was a statistically significant increase in Empathic Concern scores between pre-simulation 5.57 (SD = 1.04) and post-simulation 6.10 (SD = 0.95). Factor analysis of the Empathic Concern scale identified one latent dimension. Conclusion Immersive simulation may promote empathic concern. The Empathic Concern scale measured a single latent construct in this cohort.

Paleo-environment Simulation using GIS based on Shell Mounds

NASA Astrophysics Data System (ADS)

Uchiyama, T.; Asanuma, I.; Harada, E.

2016-02-01

Paleo-coastlines are simulated using the geographic information system (GIS) based on the shell mounds as the paleo-environment in the Tsubaki-no-umi, Ocean of Camellia in Japanese, the paleo-ocean, in Japan. The shell mounds, which are introduced in the paleo-study in the class history in junior and senior high, are used to estimate the paleo-coastlines. The paleo-coastlines are simulated as the function of sea levels relative to the current sea level for 6000 to 3000 BP on the digital elevation map of the GIS. The polygon of the simulated sea level height of 10 m extracted the shell mounds during 6000 to 5500 BP as the result of the spatial operation, and exhibited the consistency with the previous studies. The simulated sea level height of 5.5 m showed the paleo-coastline during 3600 to 3220 BP, while the Tsubaki-no-Umiturned into the brackish water lake, partly isolated from the ocean. The simulation of sea levels with GIS could be implemented to the class in the junior and senior high school with minimum efforts of teachers with the available computer and software environments.

Two-dimensional Radiative Magnetohydrodynamic Simulations of Partial Ionization in the Chromosphere. II. Dynamics and Energetics of the Low Solar Atmosphere

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

Martínez-Sykora, Juan; Pontieu, Bart De; Hansteen, Viggo H.

2017-09-20

We investigate the effects of interactions between ions and neutrals on the chromosphere and overlying corona using 2.5D radiative MHD simulations with the Bifrost code. We have extended the code capabilities implementing ion–neutral interaction effects using the generalized Ohm’s law, i.e., we include the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. Our models span from the upper convection zone to the corona, with the photosphere, chromosphere, and transition region partially ionized. Our simulations reveal that the interactions between ionized particles and neutral particles have important consequences for the magnetothermodynamics of these modeled layers: (1) ambipolarmore » diffusion increases the temperature in the chromosphere; (2) sporadically the horizontal magnetic field in the photosphere is diffused into the chromosphere, due to the large ambipolar diffusion; (3) ambipolar diffusion concentrates electrical currents, leading to more violent jets and reconnection processes, resulting in (3a) the formation of longer and faster spicules, (3b) heating of plasma during the spicule evolution, and (3c) decoupling of the plasma and magnetic field in spicules. Our results indicate that ambipolar diffusion is a critical ingredient for understanding the magnetothermodynamic properties in the chromosphere and transition region. The numerical simulations have been made publicly available, similar to previous Bifrost simulations. This will allow the community to study realistic numerical simulations with a wider range of magnetic field configurations and physics modules than previously possible.« less

Two-dimensional Radiative Magnetohydrodynamic Simulations of Partial Ionization in the Chromosphere. II. Dynamics and Energetics of the Low Solar Atmosphere

NASA Astrophysics Data System (ADS)

Martínez-Sykora, Juan; De Pontieu, Bart; Carlsson, Mats; Hansteen, Viggo H.; Nóbrega-Siverio, Daniel; Gudiksen, Boris V.

2017-09-01

We investigate the effects of interactions between ions and neutrals on the chromosphere and overlying corona using 2.5D radiative MHD simulations with the Bifrost code. We have extended the code capabilities implementing ion-neutral interaction effects using the generalized Ohm’s law, I.e., we include the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. Our models span from the upper convection zone to the corona, with the photosphere, chromosphere, and transition region partially ionized. Our simulations reveal that the interactions between ionized particles and neutral particles have important consequences for the magnetothermodynamics of these modeled layers: (1) ambipolar diffusion increases the temperature in the chromosphere; (2) sporadically the horizontal magnetic field in the photosphere is diffused into the chromosphere, due to the large ambipolar diffusion; (3) ambipolar diffusion concentrates electrical currents, leading to more violent jets and reconnection processes, resulting in (3a) the formation of longer and faster spicules, (3b) heating of plasma during the spicule evolution, and (3c) decoupling of the plasma and magnetic field in spicules. Our results indicate that ambipolar diffusion is a critical ingredient for understanding the magnetothermodynamic properties in the chromosphere and transition region. The numerical simulations have been made publicly available, similar to previous Bifrost simulations. This will allow the community to study realistic numerical simulations with a wider range of magnetic field configurations and physics modules than previously possible.

Auditory perceptual simulation: Simulating speech rates or accents?

PubMed

Zhou, Peiyun; Christianson, Kiel

2016-07-01

When readers engage in Auditory Perceptual Simulation (APS) during silent reading, they mentally simulate characteristics of voices attributed to a particular speaker or a character depicted in the text. Previous research found that auditory perceptual simulation of a faster native English speaker during silent reading led to shorter reading times that auditory perceptual simulation of a slower non-native English speaker. Yet, it was uncertain whether this difference was triggered by the different speech rates of the speakers, or by the difficulty of simulating an unfamiliar accent. The current study investigates this question by comparing faster Indian-English speech and slower American-English speech in the auditory perceptual simulation paradigm. Analyses of reading times of individual words and the full sentence reveal that the auditory perceptual simulation effect again modulated reading rate, and auditory perceptual simulation of the faster Indian-English speech led to faster reading rates compared to auditory perceptual simulation of the slower American-English speech. The comparison between this experiment and the data from Zhou and Christianson (2016) demonstrate further that the "speakers'" speech rates, rather than the difficulty of simulating a non-native accent, is the primary mechanism underlying auditory perceptual simulation effects. Copyright © 2016 Elsevier B.V. All rights reserved.

The Photochemical Reflectance Index from Directional Cornfield Reflectances: Observations and Simulations

NASA Technical Reports Server (NTRS)

Cheng, Yen-Ben; Middleton, Elizabeth M.; Zhang, Qingyuan; Corp, Lawrence A.; Dandois, Jonathan; Kustas, William P.

2012-01-01

The two-layer Markov chain Analytical Canopy Reflectance Model (ACRM) was linked with in situ hyperspectral leaf optical properties to simulate the Photochemical Reflectance Index (PRI) for a corn crop canopy at three different growth stages. This is an extended study after a successful demonstration of PRI simulations for a cornfield previously conducted at an early vegetative growth stage. Consistent with previous in situ studies, sunlit leaves exhibited lower PRI values than shaded leaves. Since sunlit (shaded) foliage dominates the canopy in the reflectance hotspot (coldspot), the canopy PRI derived from field hyperspectral observations displayed sensitivity to both view zenith angle and relative azimuth angle at all growth stages. Consequently, sunlit and shaded canopy sectors were most differentiated when viewed along the azimuth matching the solar principal plane. These directional PRI responses associated with sunlit/shaded foliage were successfully reproduced by the ACRM. As before, the simulated PRI values from the current study were closer to in situ values when both sunlit and shaded leaves were utilized as model input data in a two-layer mode, instead of a one-layer mode with sunlit leaves only. Model performance as judged by correlation between in situ and simulated values was strongest for the mature corn crop (r = 0.87, RMSE = 0.0048), followed by the early vegetative stage (r = 0.78; RMSE = 0.0051) and the early senescent stage (r = 0.65; RMSE = 0.0104). Since the benefit of including shaded leaves in the scheme varied across different growth stages, a further analysis was conducted to investigate how variable fractions of sunlit/shaded leaves affect the canopy PRI values expected for a cornfield, with implications for 20 remote sensing monitoring options. Simulations of the sunlit to shaded canopy ratio near 50/50 +/- 10 (e.g., 60/40) matching field observations at all growth stages were examined. Our results suggest in the importance of the sunlit/shaded fraction and canopy structure in understanding and interpreting PRI.

High-resolution modeling of indirectly driven high-convergence layered inertial confinement fusion capsule implosions

DOE PAGES

Haines, Brian M.; Aldrich, C. H.; Campbell, J. M.; ...

2017-04-24

In this study, we present the results of high-resolution simulations of the implosion of high-convergence layered indirect-drive inertial confinement fusion capsules of the type fielded on the National Ignition Facility using the xRAGE radiation-hydrodynamics code. In order to evaluate the suitability of xRAGE to model such experiments, we benchmark simulation results against available experimental data, including shock-timing, shock-velocity, and shell trajectory data, as well as hydrodynamic instability growth rates. We discuss the code improvements that were necessary in order to achieve favorable comparisons with these data. Due to its use of adaptive mesh refinement and Eulerian hydrodynamics, xRAGE is particularlymore » well suited for high-resolution study of multi-scale engineering features such as the capsule support tent and fill tube, which are known to impact the performance of high-convergence capsule implosions. High-resolution two-dimensional (2D) simulations including accurate and well-resolved models for the capsule fill tube, support tent, drive asymmetry, and capsule surface roughness are presented. These asymmetry seeds are isolated in order to study their relative importance and the resolution of the simulations enables the observation of details that have not been previously reported. We analyze simulation results to determine how the different asymmetries affect hotspot reactivity, confinement, and confinement time and how these combine to degrade yield. Yield degradation associated with the tent occurs largely through decreased reactivity due to the escape of hot fuel mass from the hotspot. Drive asymmetries and the fill tube, however, degrade yield primarily via burn truncation, as associated instability growth accelerates the disassembly of the hotspot. Finally, modeling all of these asymmetries together in 2D leads to improved agreement with experiment but falls short of explaining the experimentally observed yield degradation, consistent with previous 2D simulations of such capsules.« less

Two-color QCD at high density

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

Boz, Tamer; Skullerud, Jon-Ivar; Centre for the Subatomic Structure of Matter, Adelaide University, Adelaide, SA 5005

2016-01-22

QCD at high chemical potential has interesting properties such as deconfinement of quarks. Two-color QCD, which enables numerical simulations on the lattice, constitutes a laboratory to study QCD at high chemical potential. Among the interesting properties of two-color QCD at high density is the diquark condensation, for which we present recent results obtained on a finer lattice compared to previous studies. The quark propagator in two-color QCD at non-zero chemical potential is referred to as the Gor’kov propagator. We express the Gor’kov propagator in terms of form factors and present recent lattice simulation results.

Quantum dynamical simulation of photoinduced electron transfer processes in dye-semiconductor systems: theory and application to coumarin 343 at TiO₂.

PubMed

Li, Jingrui; Kondov, Ivan; Wang, Haobin; Thoss, Michael

2015-04-10

A recently developed methodology to simulate photoinduced electron transfer processes at dye-semiconductor interfaces is outlined. The methodology employs a first-principles-based model Hamiltonian and accurate quantum dynamics simulations using the multilayer multiconfiguration time-dependent Hartree approach. This method is applied to study electron injection in the dye-semiconductor system coumarin 343-TiO2. Specifically, the influence of electronic-vibrational coupling is analyzed. Extending previous work, we consider the influence of Dushinsky rotation of the normal modes as well as anharmonicities of the potential energy surfaces on the electron transfer dynamics.

Surrogates for numerical simulations; optimization of eddy-promoter heat exchangers

NASA Technical Reports Server (NTRS)

Patera, Anthony T.; Patera, Anthony

1993-01-01

Although the advent of fast and inexpensive parallel computers has rendered numerous previously intractable calculations feasible, many numerical simulations remain too resource-intensive to be directly inserted in engineering optimization efforts. An attractive alternative to direct insertion considers models for computational systems: the expensive simulation is evoked only to construct and validate a simplified, input-output model; this simplified input-output model then serves as a simulation surrogate in subsequent engineering optimization studies. A simple 'Bayesian-validated' statistical framework for the construction, validation, and purposive application of static computer simulation surrogates is presented. As an example, dissipation-transport optimization of laminar-flow eddy-promoter heat exchangers are considered: parallel spectral element Navier-Stokes calculations serve to construct and validate surrogates for the flowrate and Nusselt number; these surrogates then represent the originating Navier-Stokes equations in the ensuing design process.

A study of ignition and simulation circuits for arcjet thrusters, part 1. M.S. Thesis Final Report

NASA Technical Reports Server (NTRS)

Stuart, Thomas A.; King, Roger J.; Altenburger, Gene P.

1991-01-01

A 1 kW electronic load was programmed to simulate the nonlinear i-v (volt-ampere) characteristics of an arcjet, both ignited and unignited. The simulator was tested and found to closely resemble an arcjet both for large transients and small perturbances up to about 40 kHz. No attempt was made to simulate the ignition process itself. The dynamic behavior of the arcjet (and the simulator) was shown to differ significantly from that of a resistor bank. Previous research led to the design and construction of a 1 kW arcjet power supply. A high voltage ignition circuit was added to this hardware, and tests on a 1 kW arcjet were performed at NASA-Lewis. All tests were successful and no ignition failures were observed. Circuit documentation and test results are included.

Frequency-response identification of XV-15 tilt-rotor aircraft dynamics

NASA Technical Reports Server (NTRS)

Tischler, Mark B.

1987-01-01

The timely design and development of the next generation of tilt-rotor aircraft (JVX) depend heavily on the in-depth understanding of existing XV-15 dynamics and the availability of fully validated simulation models. Previous studies have considered aircraft and simulation trim characteristics, but analyses of basic flight vehicle dynamics were limited to qualitative pilot evaluation. The present study has the following objectives: documentation and evaluation of XV-15 bare-airframe dynamics; comparison of aircraft and simulation responses; and development of a validated transfer-function description of the XV-15 needed for future studies. A nonparametric frequency-response approach is used which does not depend on assumed model order or structure. Transfer-function representations are subsequently derived which fit the frequency responses in the bandwidth of greatest concern for piloted handling-qualities and control-system applications.

Simulation of an oblique collision of a locomotive and an intermodal container

DOT National Transportation Integrated Search

1999-11-01

This paper presents an approach to modeling an oblique collision of a locomotive and an intermodal container. Previous studies of offset and oblique train collisions have used one and two-dimensional models to determine the trajectories of the equipm...

The Effects of Channel Curvature and Protrusion Height on Nucleate Boiling and the Critical Heat Flux of a Simulated Electronic Chip

DTIC Science & Technology

1994-05-01

parameters and geometry factor. 57 3.2 Laminar sublayer and buffer layer thicknesses for geometry of Mudawar and Maddox.ŝ 68 3.3 Correlation constants...transfer from simulated electronic chip heat sources that are flush with the flow channel wall. Mudawar and Maddox2" have studied enhanced surfaces...bias error was not estimated; however, the percentage of heat loss measured compares with that previously reported by Mudawar and Maddox19 for a

Orientation influence on grain size-effects in ultrafine-grained magnesium

DOE PAGES

Fan, Haidong; Aubry, Sylvie; Arsenlis, A.; ...

2014-11-08

The mechanical behavior of ultrafine-grained magnesium was studied by discrete dislocation dynamics (DDD) simulations. Our results show basal slip yields a strong size effect, while prismatic and pyramidal slips produce a weak one. We developed a new size-strength model that considers dislocation transmission across grain boundaries. Good agreement between this model, current DDD simulations and previous experiments is observed. These results reveal that the grain size effect depends on 3 factors: Peierls stress, dislocation source strength and grain boundary strength.

Validation of the second-generation Olympus colonoscopy simulator for skills assessment.

PubMed

Haycock, A V; Bassett, P; Bladen, J; Thomas-Gibson, S

2009-11-01

Simulators have potential value in providing objective evidence of technical skill for procedures within medicine. The aim of this study was to determine face and construct validity for the Olympus colonoscopy simulator and to establish which assessment measures map to clinical benchmarks of expertise. Thirty-four participants were recruited: 10 novices with no prior colonoscopy experience, 13 intermediate (trainee) endoscopists with fewer than 1000 previous colonoscopies, and 11 experienced endoscopists with more than 1000 previous colonoscopies. All participants completed three standardized cases on the simulator and experts gave feedback regarding the realism of the simulator. Forty metrics recorded automatically by the simulator were analyzed for their ability to distinguish between the groups. The simulator discriminated participants by experience level for 22 different parameters. Completion rates were lower for novices than for trainees and experts (37 % vs. 79 % and 88 % respectively, P < 0.001) and both novices and trainees took significantly longer to reach all major landmarks than the experts. Several technical aspects of competency were discriminatory; pushing with an embedded tip ( P = 0.03), correct use of the variable stiffness function ( P = 0.004), number of sigmoid N-loops ( P = 0.02); size of sigmoid N-loops ( P = 0.01), and time to remove alpha loops ( P = 0.004). Out of 10, experts rated the realism of movement at 6.4, force feedback at 6.6, looping at 6.6, and loop resolution at 6.8. The Olympus colonoscopy simulator has good face validity and excellent construct validity. It provides an objective assessment of colonoscopic skill on multiple measures and benchmarks have been set to allow its use as both a formative and a summative assessment tool. Georg Thieme Verlag KG Stuttgart. New York.

Studies in the use of cloud type statistics in mission simulation

NASA Technical Reports Server (NTRS)

Fowler, M. G.; Willand, J. H.; Chang, D. T.; Cogan, J. L.

1974-01-01

A study to further improve NASA's global cloud statistics for mission simulation is reported. Regional homogeneity in cloud types was examined; most of the original region boundaries defined for cloud cover amount in previous studies were supported by the statistics on cloud types and the number of cloud layers. Conditionality in cloud statistics was also examined with special emphasis on temporal and spatial dependencies, and cloud type interdependence. Temporal conditionality was found up to 12 hours, and spatial conditionality up to 200 miles; the diurnal cycle in convective cloudiness was clearly evident. As expected, the joint occurrence of different cloud types reflected the dynamic processes which form the clouds. Other phases of the study improved the cloud type statistics for several region and proposed a mission simulation scheme combining the 4-dimensional atmospheric model, sponsored by MSFC, with the global cloud model.

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.

Simulation of modern climate with the new version of the INM RAS climate model

NASA Astrophysics Data System (ADS)

Volodin, E. M.; Mortikov, E. V.; Kostrykin, S. V.; Galin, V. Ya.; Lykosov, V. N.; Gritsun, A. S.; Diansky, N. A.; Gusev, A. V.; Yakovlev, N. G.

2017-03-01

The INMCM5.0 numerical model of the Earth's climate system is presented, which is an evolution from the previous version, INMCM4.0. A higher vertical resolution for the stratosphere is applied in the atmospheric block. Also, we raised the upper boundary of the calculating area, added the aerosol block, modified parameterization of clouds and condensation, and increased the horizontal resolution in the ocean block. The program implementation of the model was also updated. We consider the simulation of the current climate using the new version of the model. Attention is focused on reducing systematic errors as compared to the previous version, reproducing phenomena that could not be simulated correctly in the previous version, and modeling the problems that remain unresolved.

Non-nucleosidic inhibition of Herpes simplex virus DNA polymerase: mechanistic insights into the anti-herpetic mode of action of herbal drug withaferin A.

PubMed

Grover, Abhinav; Agrawal, Vibhuti; Shandilya, Ashutosh; Bisaria, Virendra S; Sundar, Durai

2011-01-01

Herpes Simplex Virus 1 and 2 causes several infections in humans including cold sores and encephalitis. Previous antiviral studies on herpes viruses have focussed on developing nucleoside analogues that can inhibit viral polymerase and terminate the replicating viral DNA. However, these drugs bear an intrinsic non-specificity as they can also inhibit cellular polymerase apart from the viral one. The present study is an attempt to elucidate the action mechanism of naturally occurring withaferin A in inhibiting viral DNA polymerase, thus providing an evidence for its development as a novel anti-herpetic drug. Withaferin A was found to bind very similarly to that of the previously reported 4-oxo-DHQ inhibitor. Withaferin A was observed binding to the residues Gln 617, Gln 618, Asn 815 and Tyr 818, all of which are crucial to the proper functioning of the polymerase. A comparison of the conformation obtained from docking and the molecular dynamics simulations shows that substantial changes in the binding conformations have occurred. These results indicate that the initial receptor-ligand interaction observed after docking can be limited due to the receptor rigid docking algorithm and that the conformations and interactions observed after simulation runs are more energetically favoured. We have performed docking and molecular dynamics simulation studies to elucidate the binding mechanism of prospective herbal drug withaferin A onto the structure of DNA polymerase of Herpes simplex virus. Our docking simulations results give high binding affinity of the ligand to the receptor. Long de novo MD simulations for 10 ns performed allowed us to evaluate the dynamic behaviour of the system studied and corroborate the docking results, as well as identify key residues in the enzyme-inhibitor interactions. The present MD simulations support the hypothesis that withaferin A is a potential ligand to target/inhibit DNA polymerase of the Herpes simplex virus. Results of these studies will also guide the design of selective inhibitors of DNA POL with high specificity and potent activity in order to strengthen the therapeutic arsenal available today against the dangerous biological warfare agent represented by Herpes Simplex Virus.

Non-nucleosidic inhibition of Herpes simplex virus DNA polymerase: mechanistic insights into the anti-herpetic mode of action of herbal drug withaferin A

PubMed Central

2011-01-01

Background Herpes Simplex Virus 1 and 2 causes several infections in humans including cold sores and encephalitis. Previous antiviral studies on herpes viruses have focussed on developing nucleoside analogues that can inhibit viral polymerase and terminate the replicating viral DNA. However, these drugs bear an intrinsic non-specificity as they can also inhibit cellular polymerase apart from the viral one. The present study is an attempt to elucidate the action mechanism of naturally occurring withaferin A in inhibiting viral DNA polymerase, thus providing an evidence for its development as a novel anti-herpetic drug. Results Withaferin A was found to bind very similarly to that of the previously reported 4-oxo-DHQ inhibitor. Withaferin A was observed binding to the residues Gln 617, Gln 618, Asn 815 and Tyr 818, all of which are crucial to the proper functioning of the polymerase. A comparison of the conformation obtained from docking and the molecular dynamics simulations shows that substantial changes in the binding conformations have occurred. These results indicate that the initial receptor-ligand interaction observed after docking can be limited due to the receptor rigid docking algorithm and that the conformations and interactions observed after simulation runs are more energetically favoured. Conclusions We have performed docking and molecular dynamics simulation studies to elucidate the binding mechanism of prospective herbal drug withaferin A onto the structure of DNA polymerase of Herpes simplex virus. Our docking simulations results give high binding affinity of the ligand to the receptor. Long de novo MD simulations for 10 ns performed allowed us to evaluate the dynamic behaviour of the system studied and corroborate the docking results, as well as identify key residues in the enzyme-inhibitor interactions. The present MD simulations support the hypothesis that withaferin A is a potential ligand to target/inhibit DNA polymerase of the Herpes simplex virus. Results of these studies will also guide the design of selective inhibitors of DNA POL with high specificity and potent activity in order to strengthen the therapeutic arsenal available today against the dangerous biological warfare agent represented by Herpes Simplex Virus. PMID:22373101

Effects of Solid Fraction on Droplet Wetting and Vapor Condensation: A Molecular Dynamic Simulation Study.

PubMed

Gao, Shan; Liao, Quanwen; Liu, Wei; Liu, Zhichun

2017-10-31

Recently, numerous studies focused on the wetting process of droplets on various surfaces at a microscale level. However, there are a limited number of studies about the mechanism of condensation on patterned surfaces. The present study performed the dynamic wetting behavior of water droplets and condensation process of water molecules on substrates with different pillar structure parameters, through molecular dynamic simulation. The dynamic wetting results indicated that droplets exhibit Cassie state, PW state, and Wenzel state successively on textured surfaces with decreasing solid fraction. The droplets possess a higher static contact angle and a smaller spreading exponent on textured surfaces than those on smooth surfaces. The condensation processes, including the formation, growth, and coalescence of a nanodroplet, are simulated and quantitatively recorded, which are difficult to be observed by experiments. In addition, a wetting transition and a dewetting transition were observed and analyzed in condensation on textured surfaces. Combining these simulation results with previous theoretical and experimental studies will guide us to understand the hypostasis and mechanism of the condensation more clearly.

Chemical warfare agent simulants for human volunteer trials of emergency decontamination: A systematic review.

PubMed

James, Thomas; Wyke, Stacey; Marczylo, Tim; Collins, Samuel; Gaulton, Tom; Foxall, Kerry; Amlôt, Richard; Duarte-Davidson, Raquel

2018-01-01

Incidents involving the release of chemical agents can pose significant risks to public health. In such an event, emergency decontamination of affected casualties may need to be undertaken to reduce injury and possible loss of life. To ensure these methods are effective, human volunteer trials (HVTs) of decontamination protocols, using simulant contaminants, have been conducted. Simulants must be used to mimic the physicochemical properties of more harmful chemicals, while remaining non-toxic at the dose applied. This review focuses on studies that employed chemical warfare agent simulants in decontamination contexts, to identify those simulants most suitable for use in HVTs of emergency decontamination. Twenty-two simulants were identified, of which 17 were determined unsuitable for use in HVTs. The remaining simulants (n = 5) were further scrutinized for potential suitability according to toxicity, physicochemical properties and similarities to their equivalent toxic counterparts. Three suitable simulants, for use in HVTs were identified; methyl salicylate (simulant for sulphur mustard), diethyl malonate (simulant for soman) and malathion (simulant for VX or toxic industrial chemicals). All have been safely used in previous HVTs, and have a range of physicochemical properties that would allow useful inference to more toxic chemicals when employed in future studies of emergency decontamination systems. © 2017 Crown Copyright. Journal of Applied Toxicology published by John Wiley & Sons, Ltd.

A theoretical and simulation study of the contact discontinuities based on a Vlasov simulation code

NASA Astrophysics Data System (ADS)

Tsai, T. C.; Lyu, L. H.; Chao, J. K.; Chen, M. Q.; Tsai, W. H.

2009-12-01

Contact discontinuity (CD) is the simplest solution that can be obtained from the magnetohydrodynamics (MHD) Rankine-Hugoniot jump conditions. Due to the limitations of the previous kinetic simulation models, the stability of the CD has become a controversial issue in the past 10 years. The stability of the CD is reexamined analytically and numerically. Our theoretical analysis shows that the electron temperature profile and the ion temperature profile must be out of phase across the CD if the CD structure is to be stable in the electron time scale and with zero electron heat flux on either side of the CD. Both a newly developed fourth-order implicit electrostatic Vlasov simulation code and an electromagnetic finite-size particle code are used to examine the stability and the electrostatic nature of the CD structure. Our theoretical prediction is verified by both simulations. Our results of Vlasov simulation also indicate that a simulation with initial electron temperature profile and ion temperature profile varying in phase across the CD will undergo very transient changes in the electron time scale but will relax into a quasi-steady CD structure within a few ion plasma oscillation periods if a real ion-electron mass ratio is used in the simulation and if the boundary conditions allow nonzero heat flux to be presented at the boundaries of the simulation box. The simulation results of this study indicate that the Vlasov simulation is a powerful tool to study nonlinear phenomena with nonperiodic boundary conditions and with nonzero heat flux at the boundaries of the simulation box.

Dynamical Scaling Relations and the Angular Momentum Problem in the FIRE Simulations

NASA Astrophysics Data System (ADS)

Schmitz, Denise; Hopkins, Philip F.; Quataert, Eliot; Keres, Dusan; Faucher-Giguere, Claude-Andre

2015-01-01

Simulations are an extremely important tool with which to study galaxy formation and evolution. However, even state-of-the-art simulations still fail to accurately predict important galaxy properties such as star formation rates and dynamical scaling relations. One possible explanation is the inadequacy of sub-grid models to capture the range of stellar feedback mechanisms which operate below the resolution limit of simulations. FIRE (Feedback in Realistic Environments) is a set of high-resolution cosmological galaxy simulations run using the code GIZMO. It includes more realistic models for various types of feedback including radiation pressure, supernovae, stellar winds, and photoionization and photoelectric heating. Recent FIRE results have demonstrated good agreement with the observed stellar mass-halo mass relation as well as more realistic star formation histories than previous simulations. We investigate the effects of FIRE's improved feedback prescriptions on the simulation "angular momentum problem," i.e., whether FIRE can reproduce observed scaling relations between galaxy stellar mass and rotational/dispersion velocities.

Molecular simulation study of cavity-generated instabilities in the superheated Lennard-Jones liquid

NASA Astrophysics Data System (ADS)

Torabi, Korosh; Corti, David S.

2010-10-01

Previous equilibrium-based density-functional theory (DFT) analyses of cavity formation in the pure component superheated Lennard-Jones (LJ) liquid [S. Punnathanam and D. S. Corti, J. Chem. Phys. 119, 10224 (2003); M. J. Uline and D. S. Corti, Phys. Rev. Lett. 99, 076102 (2007)] revealed that a thermodynamic limit of stability appears in which no liquidlike density profile can develop for cavity radii greater than some critical size (being a function of temperature and bulk density). The existence of these stability limits was also verified using isothermal-isobaric Monte Carlo (MC) simulations. To test the possible relevance of these limits of stability to a dynamically evolving system, one that may be important for homogeneous bubble nucleation, we perform isothermal-isobaric molecular dynamics (MD) simulations in which cavities of different sizes are placed within the superheated LJ liquid. When the impermeable boundary utilized to generate a cavity is removed, the MD simulations show that the cavity collapses and the overall density of the system remains liquidlike, i.e., the system is stable, when the initial cavity radius is below some certain value. On the other hand, when the initial radius is large enough, the cavity expands and the overall density of the system rapidly decreases toward vaporlike densities, i.e., the system is unstable. Unlike the DFT predictions, however, the transition between stability and instability is not infinitely sharp. The fraction of initial configurations that generate an instability (or a phase separation) increases from zero to unity as the initial cavity radius increases over a relatively narrow range of values, which spans the predicted stability limit obtained from equilibrium MC simulations. The simulation results presented here provide initial evidence that the equilibrium-based stability limits predicted in the previous DFT and MC simulation studies may play some role, yet to be fully determined, in the homogeneous nucleation and growth of embryos within metastable fluids.

Macroscopic impacts of cloud and precipitation processes on maritime shallow convection as simulated by a large eddy simulation model with bin microphysics

DOE PAGES

Grabowski, W. W.; Wang, L. -P.; Prabha, T. V.

2015-01-27

This paper discusses impacts of cloud and precipitation processes on macrophysical properties of shallow convective clouds as simulated by a large eddy model applying warm-rain bin microphysics. Simulations with and without collision–coalescence are considered with cloud condensation nuclei (CCN) concentrations of 30, 60, 120, and 240 mg -1. Simulations with collision–coalescence include either the standard gravitational collision kernel or a novel kernel that includes enhancements due to the small-scale cloud turbulence. Simulations with droplet collisions were discussed in Wyszogrodzki et al. (2013) focusing on the impact of the turbulent collision kernel. The current paper expands that analysis and puts modelmore » results in the context of previous studies. Despite a significant increase of the drizzle/rain with the decrease of CCN concentration, enhanced by the effects of the small-scale turbulence, impacts on the macroscopic cloud field characteristics are relatively minor. Model results show a systematic shift in the cloud-top height distributions, with an increasing contribution of deeper clouds for stronger precipitating cases. We show that this is consistent with the explanation suggested in Wyszogrodzki et al. (2013); namely, the increase of drizzle/rain leads to a more efficient condensate offloading in the upper parts of the cloud field. A second effect involves suppression of the cloud droplet evaporation near cloud edges in low-CCN simulations, as documented in previous studies (e.g., Xue and Feingold, 2006). We pose the question whether the effects of cloud turbulence on drizzle/rain formation in shallow cumuli can be corroborated by remote sensing observations, for instance, from space. Although a clear signal is extracted from model results, we argue that the answer is negative due to uncertainties caused by the temporal variability of the shallow convective cloud field, sampling and spatial resolution of the satellite data, and overall accuracy of remote sensing retrievals.« less

Virtual reality simulators: valuable surgical skills trainers or video games?

PubMed

Willis, Ross E; Gomez, Pedro Pablo; Ivatury, Srinivas J; Mitra, Hari S; Van Sickle, Kent R

2014-01-01

Virtual reality (VR) and physical model (PM) simulators differ in terms of whether the trainee is manipulating actual 3-dimensional objects (PM) or computer-generated 3-dimensional objects (VR). Much like video games (VG), VR simulators utilize computer-generated graphics. These differences may have profound effects on the utility of VR and PM training platforms. In this study, we aimed to determine whether a relationship exists between VR, PM, and VG platforms. VR and PM simulators for laparoscopic camera navigation ([LCN], experiment 1) and flexible endoscopy ([FE] experiment 2) were used in this study. In experiment 1, 20 laparoscopic novices played VG and performed 0° and 30° LCN exercises on VR and PM simulators. In experiment 2, 20 FE novices played VG and performed colonoscopy exercises on VR and PM simulators. In both experiments, VG performance was correlated with VR performance but not with PM performance. Performance on VR simulators did not correlate with performance on respective PM models. VR environments may be more like VG than previously thought. © 2013 Published by Association of Program Directors in Surgery on behalf of Association of Program Directors in Surgery.

Numerical Simulation of the 9-10 June 1972 Black Hills Storm Using CSU RAMS

NASA Technical Reports Server (NTRS)

Nair, U. S.; Hjelmfelt, Mark R.; Pielke, Roger A., Sr.

1997-01-01

Strong easterly flow of low-level moist air over the eastern slopes of the Black Hills on 9-10 June 1972 generated a storm system that produced a flash flood, devastating the area. Based on observations from this storm event, and also from the similar Big Thompson 1976 storm event, conceptual models have been developed to explain the unusually high precipitation efficiency. In this study, the Black Hills storm is simulated using the Colorado State University Regional Atmospheric Modeling System. Simulations with homogeneous and inhomogeneous initializations and different grid structures are presented. The conceptual models of storm structure proposed by previous studies are examined in light of the present simulations. Both homogeneous and inhomogeneous initialization results capture the intense nature of the storm, but the inhomogeneous simulation produced a precipitation pattern closer to the observed pattern. The simulations point to stationary tilted updrafts, with precipitation falling out to the rear as the preferred storm structure. Experiments with different grid structures point to the importance of removing the lateral boundaries far from the region of activity. Overall, simulation performance in capturing the observed behavior of the storm system was enhanced by use of inhomogeneous initialization.

Probing the Cosmic Gamma-Ray Burst Rate with Trigger Simulations of the Swift Burst Alert Telescope

NASA Technical Reports Server (NTRS)

Lien, Amy; Sakamoto, Takanori; Gehrels, Neil; Palmer, David M.; Barthelmy, Scott D.; Graziani, Carlo; Cannizzo, John K.

2013-01-01

The gamma-ray burst (GRB) rate is essential for revealing the connection between GRBs, supernovae and stellar evolution. Additionally, the GRB rate at high redshift provides a strong probe of star formation history in the early universe. While hundreds of GRBs are observed by Swift, it remains difficult to determine the intrinsic GRB rate due to the complex trigger algorithm of Swift. Current studies of the GRB rate usually approximate the Swift trigger algorithm by a single detection threshold. However, unlike the previously own GRB instruments, Swift has over 500 trigger criteria based on photon count rate and additional image threshold for localization. To investigate possible systematic biases and explore the intrinsic GRB properties, we develop a program that is capable of simulating all the rate trigger criteria and mimicking the image threshold. Our simulations show that adopting the complex trigger algorithm of Swift increases the detection rate of dim bursts. As a result, our simulations suggest bursts need to be dimmer than previously expected to avoid over-producing the number of detections and to match with Swift observations. Moreover, our results indicate that these dim bursts are more likely to be high redshift events than low-luminosity GRBs. This would imply an even higher cosmic GRB rate at large redshifts than previous expectations based on star-formation rate measurements, unless other factors, such as the luminosity evolution, are taken into account. The GRB rate from our best result gives a total number of 4568 +825 -1429 GRBs per year that are beamed toward us in the whole universe.

Performance of the general circulation models in simulating temperature and precipitation over Iran

NASA Astrophysics Data System (ADS)

Abbasian, Mohammadsadegh; Moghim, Sanaz; Abrishamchi, Ahmad

2018-03-01

General Circulation Models (GCMs) are advanced tools for impact assessment and climate change studies. Previous studies show that the performance of the GCMs in simulating climate variables varies significantly over different regions. This study intends to evaluate the performance of the Coupled Model Intercomparison Project phase 5 (CMIP5) GCMs in simulating temperature and precipitation over Iran. Simulations from 37 GCMs and observations from the Climatic Research Unit (CRU) were obtained for the period of 1901-2005. Six measures of performance including mean bias, root mean square error (RMSE), Nash-Sutcliffe efficiency (NSE), linear correlation coefficient (r), Kolmogorov-Smirnov statistic (KS), Sen's slope estimator, and the Taylor diagram are used for the evaluation. GCMs are ranked based on each statistic at seasonal and annual time scales. Results show that most GCMs perform reasonably well in simulating the annual and seasonal temperature over Iran. The majority of the GCMs have a poor skill to simulate precipitation, particularly at seasonal scale. Based on the results, the best GCMs to represent temperature and precipitation simulations over Iran are the CMCC-CMS (Euro-Mediterranean Center on Climate Change) and the MRI-CGCM3 (Meteorological Research Institute), respectively. The results are valuable for climate and hydrometeorological studies and can help water resources planners and managers to choose the proper GCM based on their criteria.

Piloted Evaluation of a UH-60 Mixer Equivalent Turbulence Simulation Model

NASA Technical Reports Server (NTRS)

Lusardi, Jeff A.; Blanken, Chris L.; Tischeler, Mark B.

2002-01-01

A simulation study of a recently developed hover/low speed Mixer Equivalent Turbulence Simulation (METS) model for the UH-60 Black Hawk helicopter was conducted in the NASA Ames Research Center Vertical Motion Simulator (VMS). The experiment was a continuation of previous work to develop a simple, but validated, turbulence model for hovering rotorcraft. To validate the METS model, two experienced test pilots replicated precision hover tasks that had been conducted in an instrumented UH-60 helicopter in turbulence. Objective simulation data were collected for comparison with flight test data, and subjective data were collected that included handling qualities ratings and pilot comments for increasing levels of turbulence. Analyses of the simulation results show good analytic agreement between the METS model and flight test data, with favorable pilot perception of the simulated turbulence. Precision hover tasks were also repeated using the more complex rotating-frame SORBET (Simulation Of Rotor Blade Element Turbulence) model to generate turbulence. Comparisons of the empirically derived METS model with the theoretical SORBET model show good agreement providing validation of the more complex blade element method of simulating turbulence.

The Implications of Null Patterns and Output Unit Activation Functions on Simulation Studies of Learning: A Case Study of Patterning

ERIC Educational Resources Information Center

Yaremchuk, V.; Willson, L.R.; Spetch, M.L.; Dawson, M.R.W.

2005-01-01

Animal learning researchers have argued that one example of a linearly nonseparable problem is negative patterning, and therefore they have used more complicated multilayer networks to study this kind of discriminant learning. However, it is shown in this paper that previous attempts to define negative patterning problems to artificial neural…

Simulation of enhanced deposition due to magnetic field alignment of ellipsoidal particles in a lung bifurcation.

PubMed

Martinez, R C; Roshchenko, A; Minev, P; Finlay, W H

2013-02-01

Aerosolized chemotherapy has been recognized as a potential treatment for lung cancer. The challenge of providing sufficient therapeutic effects without reaching dose-limiting toxicity levels hinders the development of aerosolized chemotherapy. This could be mitigated by increasing drug-delivery efficiency with a noninvasive drug-targeting delivery method. The purpose of this study is to use direct numerical simulations to study the resulting local enhancement of deposition due to magnetic field alignment of high aspect ratio particles. High aspect ratio particles were approximated by a rigid ellipsoid with a minor diameter of 0.5 μm and fluid particle density ratio of 1,000. Particle trajectories were calculated by solving the coupled fluid particle equations using an in-house micro-macro grid finite element algorithm based on a previously developed fictitious domain approach. Particle trajectories were simulated in a morphologically realistic geometry modeling a symmetrical terminal bronchiole bifurcation. Flow conditions were steady inspiratory air flow due to typical breathing at 18 L/min. Deposition efficiency was estimated for two different cases: [1] particles aligned with the streamlines and [2] particles with fixed angular orientation simulating the magnetic field alignment of our previous in vitro study. The local enhancement factor defined as the ratio between deposition efficiency of Case [1] and Case [2] was found to be 1.43 and 3.46 for particles with an aspect ratio of 6 and 20, respectively. Results indicate that externally forcing local alignment of high aspect ratio particles can increase local deposition considerably.

Mechanism of the αβ Conformational Change in F1-ATPase after ATP Hydrolysis: Free-Energy Simulations

PubMed Central

Ito, Yuko; Ikeguchi, Mitsunori

2015-01-01

One of the motive forces for F1-ATPase rotation is the conformational change of the catalytically active β subunit due to closing and opening motions caused by ATP binding and hydrolysis, respectively. The closing motion is accomplished in two steps: the hydrogen-bond network around ATP changes and then the entire structure changes via B-helix sliding, as shown in our previous study. Here, we investigated the opening motion induced by ATP hydrolysis using all-atom free-energy simulations, combining the nudged elastic band method and umbrella sampling molecular-dynamics simulations. Because hydrolysis requires residues in the α subunit, the simulations were performed with the αβ dimer. The results indicate that the large-scale opening motion is also achieved by the B-helix sliding (in the reverse direction). However, the sliding mechanism is different from that of ATP binding because sliding is triggered by separation of the hydrolysis products ADP and Pi. We also addressed several important issues: 1), the timing of the product Pi release; 2), the unresolved half-closed β structure; and 3), the ADP release mechanism. These issues are fundamental for motor function; thus, the rotational mechanism of the entire F1-ATPase is also elucidated through this αβ study. During the conformational change, conserved residues among the ATPase proteins play important roles, suggesting that the obtained mechanism may be shared with other ATPase proteins. When combined with our previous studies, these results provide a comprehensive view of the β-subunit conformational change that drives the ATPase. PMID:25564855

Benefits of detailed models of muscle activation and mechanics

NASA Technical Reports Server (NTRS)

Lehman, S. L.; Stark, L.

1981-01-01

Recent biophysical and physiological studies identified some of the detailed mechanisms involved in excitation-contraction coupling, muscle contraction, and deactivation. Mathematical models incorporating these mechanisms allow independent estimates of key parameters, direct interplay between basic muscle research and the study of motor control, and realistic model behaviors, some of which are not accessible to previous, simpler, models. The existence of previously unmodeled behaviors has important implications for strategies of motor control and identification of neural signals. New developments in the analysis of differential equations make the more detailed models feasible for simulation in realistic experimental situations.

Utilizing micro simulation to evaluate the safety and efficiency of the expressway system.

DOT National Transportation Integrated Search

2016-08-01

Expressways play a vital role in serving mega-cities, and the safety of expressways : is extremely important. In order to explore the crash mechanisms of expressways, : previous studies have mainly utilized average daily traffic (ADT) as a major cont...

Preferential sites for InAsP/InP quantum wire nucleation using molecular dynamics

NASA Astrophysics Data System (ADS)

Nuñez-Moraleda, Bernardo; Pizarro, Joaquin; Guerrero, Elisa; Guerrero-Lebrero, Maria P.; Yáñez, Andres; Molina, Sergio Ignacio; Galindo, Pedro Luis

2014-11-01

In this paper, stress fields at the surface of the capping layer of self-assembled InAsP quantum wires grown on an InP (001) substrate have been determined from atomistic models using molecular dynamics and Stillinger-Weber potentials. To carry out these calculations, the quantum wire compositional distribution was extracted from previous works, where the As and P distributions were determined by electron energy loss spectroscopy and high-resolution aberration-corrected Z-contrast imaging. Preferential sites for the nucleation of wires on the surface of the capping layer were studied and compared with (i) previous simulations using finite element analysis to solve anisotropic elastic theory equations and (ii) experimentally measured locations of stacked wires. Preferential nucleation sites of stacked wires were determined by the maximum stress location at the MD model surface in good agreement with experimental results and those derived from finite element analysis. This indicates that MD simulations based on empirical potentials provide a suitable and flexible tool to study strain dependent atom processes.

Below and above boiling point comparison of microwave irradiation and conductive heating for municipal sludge digestion under identical heating/cooling profiles.

PubMed

Hosseini Koupaie, E; Eskicioglu, C

2015-01-01

This research provides a comprehensive comparison between microwave (MW) and conductive heating (CH) sludge pretreatments under identical heating/cooling profiles at below and above boiling point temperatures. Previous comparison studies were constrained to an uncontrolled or a single heating rate due to lack of a CH equipment simulating MW under identical thermal profiles. In this research, a novel custom-built pressure-sealed vessel which could simulate MW pretreatment under identical heating/cooling profiles was used for CH pretreatment. No statistically significant difference was proven between MW and CH pretreatments in terms of sludge solubilization, anaerobic biogas yield and organics biodegradation rate (p-value>0.05), while statistically significant effects of temperature and heating rate were observed (p-value<0.05). These results explain the contradictory results of previous studies in which only the final temperature (not heating/cooling rates) was controlled. Copyright © 2015 Elsevier Ltd. All rights reserved.

Reconnection–Condensation Model for Solar Prominence Formation

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

Kaneko, Takafumi; Yokoyama, Takaaki, E-mail: kaneko@isee.nagoya-u.ac.jp

We propose a reconnection–condensation model in which topological change in a coronal magnetic field via reconnection triggers radiative condensation, thereby resulting in prominence formation. Previous observational studies have suggested that reconnection at a polarity inversion line of a coronal arcade field creates a flux rope that can sustain a prominence; however, they did not explain the origin of cool dense plasmas of prominences. Using three-dimensional magnetohydrodynamic simulations, including anisotropic nonlinear thermal conduction and optically thin radiative cooling, we demonstrate that reconnection can lead not only to flux rope formation but also to radiative condensation under a certain condition. In ourmore » model, this condition is described by the Field length, which is defined as the scale length for thermal balance between radiative cooling and thermal conduction. This critical condition depends weakly on the artificial background heating. The extreme ultraviolet emissions synthesized with our simulation results have good agreement with observational signatures reported in previous studies.« less

Phase transition of traveling waves in bacterial colony pattern

NASA Astrophysics Data System (ADS)

Wakano, Joe Yuichiro; Komoto, Atsushi; Yamaguchi, Yukio

2004-05-01

Depending on the growth condition, bacterial colonies can exhibit different morphologies. Many previous studies have used reaction diffusion equations to reproduce spatial patterns. They have revealed that nonlinear reaction term can produce diverse patterns as well as nonlinear diffusion coefficient. Typical reaction term consists of nutrient consumption, bacterial reproduction, and sporulation. Among them, the functional form of sporulation rate has not been biologically investigated. Here we report experimentally measured sporulation rate. Then, based on the result, a reaction diffusion model is proposed. One-dimensional simulation showed the existence of traveling wave solution. We study the wave form as a function of the initial nutrient concentration and find two distinct types of solution. Moreover, transition between them is very sharp, which is analogous to phase transition. The velocity of traveling wave also shows sharp transition in nonlinear diffusion model, which is consistent with the previous experimental result. The phenomenon can be explained by separatrix in reaction term dynamics. Results of two-dimensional simulation are also shown and discussed.

The impact of cloud vertical profile on liquid water path retrieval based on the bispectral method: A theoretical study based on large-eddy simulations of shallow marine boundary layer clouds.

PubMed

Miller, Daniel J; Zhang, Zhibo; Ackerman, Andrew S; Platnick, Steven; Baum, Bryan A

2016-04-27

Passive optical retrievals of cloud liquid water path (LWP), like those implemented for Moderate Resolution Imaging Spectroradiometer (MODIS), rely on cloud vertical profile assumptions to relate optical thickness ( τ ) and effective radius ( r e ) retrievals to LWP. These techniques typically assume that shallow clouds are vertically homogeneous; however, an adiabatic cloud model is plausibly more realistic for shallow marine boundary layer cloud regimes. In this study a satellite retrieval simulator is used to perform MODIS-like satellite retrievals, which in turn are compared directly to the large-eddy simulation (LES) output. This satellite simulator creates a framework for rigorous quantification of the impact that vertical profile features have on LWP retrievals, and it accomplishes this while also avoiding sources of bias present in previous observational studies. The cloud vertical profiles from the LES are often more complex than either of the two standard assumptions, and the favored assumption was found to be sensitive to cloud regime (cumuliform/stratiform). Confirming previous studies, drizzle and cloud top entrainment of dry air are identified as physical features that bias LWP retrievals away from adiabatic and toward homogeneous assumptions. The mean bias induced by drizzle-influenced profiles was shown to be on the order of 5-10 g/m 2 . In contrast, the influence of cloud top entrainment was found to be smaller by about a factor of 2. A theoretical framework is developed to explain variability in LWP retrievals by introducing modifications to the adiabatic r e profile. In addition to analyzing bispectral retrievals, we also compare results with the vertical profile sensitivity of passive polarimetric retrieval techniques.

The impact of cloud vertical profile on liquid water path retrieval based on the bispectral method: A theoretical study based on large-eddy simulations of shallow marine boundary layer clouds

PubMed Central

Miller, Daniel J.; Zhang, Zhibo; Ackerman, Andrew S.; Platnick, Steven; Baum, Bryan A.

2018-01-01

Passive optical retrievals of cloud liquid water path (LWP), like those implemented for Moderate Resolution Imaging Spectroradiometer (MODIS), rely on cloud vertical profile assumptions to relate optical thickness (τ) and effective radius (re) retrievals to LWP. These techniques typically assume that shallow clouds are vertically homogeneous; however, an adiabatic cloud model is plausibly more realistic for shallow marine boundary layer cloud regimes. In this study a satellite retrieval simulator is used to perform MODIS-like satellite retrievals, which in turn are compared directly to the large-eddy simulation (LES) output. This satellite simulator creates a framework for rigorous quantification of the impact that vertical profile features have on LWP retrievals, and it accomplishes this while also avoiding sources of bias present in previous observational studies. The cloud vertical profiles from the LES are often more complex than either of the two standard assumptions, and the favored assumption was found to be sensitive to cloud regime (cumuliform/stratiform). Confirming previous studies, drizzle and cloud top entrainment of dry air are identified as physical features that bias LWP retrievals away from adiabatic and toward homogeneous assumptions. The mean bias induced by drizzle-influenced profiles was shown to be on the order of 5–10 g/m2. In contrast, the influence of cloud top entrainment was found to be smaller by about a factor of 2. A theoretical framework is developed to explain variability in LWP retrievals by introducing modifications to the adiabatic re profile. In addition to analyzing bispectral retrievals, we also compare results with the vertical profile sensitivity of passive polarimetric retrieval techniques. PMID:29637042

Troponin structure: its modulation by Ca(2+) and phosphorylation studied by molecular dynamics simulations.

PubMed

Zamora, Juan Eiros; Papadaki, Maria; Messer, Andrew E; Marston, Steven B; Gould, Ian R

2016-07-27

The only available crystal structure of the human cardiac troponin molecule (cTn) in the Ca(2+) activated state does not include crucial segments, including the N-terminus of the cTn inhibitory subunit (cTnI). We have applied all-atom molecular dynamics (MD) simulations to study the structure and dynamics of cTn, both in the unphosphorylated and bis-phosphorylated states at Ser23/Ser24 of cTnI. We performed multiple microsecond MD simulations of wild type (WT) cTn (6, 5 μs) and bisphosphorylated (SP23/SP24) cTn (9 μs) on a 419 amino acid cTn model containing human sequence cTnC (1-161), cTnI (1-171) and cTnT (212-298), including residues not present in the crystal structure. We have compared our results to previous computational studies, and proven that longer simulations and a water box of at least 25 Å are needed to sample the interesting conformational shifts both in the native and bis-phosphorylated states. As a consequence of the introduction into the model of the C-terminus of cTnT that was missing in previous studies, cTnC-cTnI interactions that are responsible for the cTn dynamics are altered. We have also shown that phosphorylation does not increase cTn fluctuations, and its effects on the protein-protein interaction profiles cannot be assessed in a significant way. Finally, we propose that phosphorylation could provoke a loss of Ca(2+) by stabilizing out-of-coordination distances of the cTnC's EF hand II residues, and in particular Ser 69.

Inverse modeling of ground surface uplift and pressure with iTOUGH-PEST and TOUGH-FLAC: The case of CO2 injection at In Salah, Algeria

DOE PAGES

Rinaldi, Antonio P.; Rutqvist, Jonny; Finsterle, Stefan; ...

2016-10-24

Ground deformation, commonly seen in storage projects, carries useful information about processes occurring in the injection formation. The Krechba gas field at In Salah (Algeria) is one of the best-known sites for studying ground surface deformation during geological carbon storage. At this first industrial-scale on-shore CO 2 demonstration project, satellite-based ground-deformation monitoring data of high quality are available and used to study the large-scale hydrological and geomechanical response of the system to injection. In this work, we carry out coupled fluid flow and geomechanical simulations to understand the uplift at three different CO 2 injection wells (KB-501, KB-502, KB-503). Previousmore » numerical studies focused on the KB-502 injection well, where a double-lobe uplift pattern has been observed in the ground-deformation data. The observed uplift patterns at KB-501 and KB-503 have single-lobe patterns, but they can also indicate a deep fracture zone mechanical response to the injection.The current study improves the previous modeling approach by introducing an injection reservoir and a fracture zone, both responding to a Mohr-Coulomb failure criterion. In addition, we model a stress-dependent permeability and bulk modulus, according to a dual continuum model. Mechanical and hydraulic properties are determined through inverse modeling by matching the simulated spatial and temporal evolution of uplift to InSAR observations as well as by matching simulated and measured pressures. The numerical simulations are in agreement with both spatial and temporal observations. The estimated values for the parameterized mechanical and hydraulic properties are in good agreement with previous numerical results. In addition, the formal joint inversion of hydrogeological and geomechanical data provides measures of the estimation uncertainty.« less

Numerical Simulations of Slow Stick Slip Events with PFC, a DEM Based Code

NASA Astrophysics Data System (ADS)

Ye, S. H.; Young, R. P.

2017-12-01

Nonvolcanic tremors around subduction zone have become a fascinating subject in seismology in recent years. Previous studies have shown that the nonvolcanic tremor beneath western Shikoku is composed of low frequency seismic waves overlapping each other. This finding provides direct link between tremor and slow earthquakes. Slow stick slip events are considered to be laboratory scaled slow earthquakes. Slow stick slip events are traditionally studied with direct shear or double direct shear experiment setup, in which the sliding velocity can be controlled to model a range of fast and slow stick slips. In this study, a PFC* model based on double direct shear is presented, with a central block clamped by two side blocks. The gauge layers between the central and side blocks are modelled as discrete fracture networks with smooth joint bonds between pairs of discrete elements. In addition, a second model is presented in this study. This model consists of a cylindrical sample subjected to triaxial stress. Similar to the previous model, a weak gauge layer at a 45 degrees is added into the sample, on which shear slipping is allowed. Several different simulations are conducted on this sample. While the confining stress is maintained at the same level in different simulations, the axial loading rate (displacement rate) varies. By varying the displacement rate, a range of slipping behaviour, from stick slip to slow stick slip are observed based on the stress-strain relationship. Currently, the stick slip and slow stick slip events are strictly observed based on the stress-strain relationship. In the future, we hope to monitor the displacement and velocity of the balls surrounding the gauge layer as a function of time, so as to generate a synthetic seismogram. This will allow us to extract seismic waveforms and potentially simulate the tremor-like waves found around subduction zones. *Particle flow code, a discrete element method based numerical simulation code developed by Itasca Inc.

Folding cooperativity in a three-stranded beta-sheet model.

PubMed

Roe, Daniel R; Hornak, Viktor; Simmerling, Carlos

2005-09-16

The thermodynamic behavior of a previously designed three-stranded beta-sheet was studied via several microseconds of standard and replica exchange molecular dynamics simulations. The system is shown to populate at least four thermodynamic minima, including two partially folded states in which only a single hairpin is formed. Simulated melting curves show different profiles for the C and N-terminal hairpins, consistent with differences in secondary structure content in published NMR and CD/FTIR measurements, which probed different regions of the chain. Individual beta-hairpins that comprise the three-stranded beta-sheet are observed to form cooperatively. Partial folding cooperativity between the component hairpins is observed, and good agreement between calculated and experimental values quantifying this cooperativity is obtained when similar analysis techniques are used. However, the structural detail in the ensemble of conformations sampled in the simulations permits a more direct analysis of this cooperativity than has been performed on the basis of experimental data. The results indicate the actual folding cooperativity perpendicular to strand direction is significantly larger than the lower bound obtained previously.

Folding cooperativity in a 3-stranded β-sheet model

PubMed Central

Roe, Daniel R.; Hornak, Viktor

2015-01-01

Summary The thermodynamic behavior of a previously designed three-stranded β-sheet was studied via several µs of standard and replica exchange molecular dynamics simulations. The system is shown to populate at least four thermodynamic minima, including 2 partially folded states in which only a single hairpin is formed. Simulated melting curves show different profiles for the C and N-terminal hairpins, consistent with differences in secondary structure content in published NMR and CD/FTIR measurements, which probed different regions of the chain. Individual β-hairpins that comprise the 3-stranded β-sheet are observed to form cooperatively. Partial folding cooperativity between the component hairpins is observed, and good agreement between calculated and experimental values quantifying this cooperativity is obtained when similar analysis techniques are used. However, the structural detail in the ensemble of conformations sampled in the simulations permits a more direct analysis of this cooperatively than has been performed based on experimental data. The results indicate the actual folding cooperativity perpendicular to strand direction is significantly larger than the lower bound obtained previously. PMID:16095612

Dynamic model based on voltage transfer curve for pattern formation in dielectric barrier glow discharge

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

Li, Ben; He, Feng; Ouyang, Jiting, E-mail: jtouyang@bit.edu.cn

2015-12-15

Simulation work is very important for understanding the formation of self-organized discharge patterns. Previous works have witnessed different models derived from other systems for simulation of discharge pattern, but most of these models are complicated and time-consuming. In this paper, we introduce a convenient phenomenological dynamic model based on the basic dynamic process of glow discharge and the voltage transfer curve (VTC) to study the dielectric barrier glow discharge (DBGD) pattern. VTC is an important characteristic of DBGD, which plots the change of wall voltage after a discharge as a function of the initial total gap voltage. In the modeling,more » the combined effect of the discharge conditions is included in VTC, and the activation-inhibition effect is expressed by a spatial interaction term. Besides, the model reduces the dimensionality of the system by just considering the integration effect of current flow. All these greatly facilitate the construction of this model. Numerical simulations turn out to be in good accordance with our previous fluid modeling and experimental result.« less

A multi-institutional study using simulation to teach cardiopulmonary physical examination and diagnosis skills to physician assistant students.

PubMed

Multak, Nina; Newell, Karen; Spear, Sherrie; Scalese, Ross J; Issenberg, S Barry

2015-06-01

Research demonstrates limitations in the ability of health care trainees/practitioners, including physician assistants (PAs), to identify important cardiopulmonary examination findings and diagnose corresponding conditions. Studies also show that simulation-based training leads to improved performance and that these skills can transfer to real patients. This study evaluated the effectiveness of a newly developed curriculum incorporating simulation with deliberate practice for teaching cardiopulmonary physical examination/bedside diagnosis skills in the PA population. This multi-institutional study used a pretest/posttest design. Participants, PA students from 4 different programs, received a standardized curriculum including instructor-led activities interspersed among small-group/independent self-study time. Didactic sessions and independent study featured practice with the "Harvey" simulator and use of specially developed computer-based multimedia tutorials. Preintervention: participants completed demographic questionnaires, rated self-confidence, and underwent baseline evaluation of knowledge and cardiopulmonary physical examination skills. Students logged self-study time using various learning resources. Postintervention: students again rated self-confidence and underwent repeat cognitive/performance testing using equivalent written/simulator-based assessments. Physician assistant students (N = 56) demonstrated significant gains in knowledge, cardiac examination technique, recognition of total cardiac findings, identification of key auscultatory findings (extra heart sounds, systolic/diastolic murmurs), and the ability to make correct diagnoses. Learner self-confidence also improved significantly. This study demonstrated the effectiveness of a simulation-based curriculum for teaching essential physical examination/bedside diagnosis skills to PA students. Its results reinforce those of similar/previous research, which suggest that simulation-based training is most effective under certain educational conditions. Future research will include subgroup analyses/correlation of other variables to explore best features/uses of simulation technology for training PAs.

Simulation optimization of PSA-threshold based prostate cancer screening policies

PubMed Central

Zhang, Jingyu; Denton, Brian T.; Shah, Nilay D.; Inman, Brant A.

2013-01-01

We describe a simulation optimization method to design PSA screening policies based on expected quality adjusted life years (QALYs). Our method integrates a simulation model in a genetic algorithm which uses a probabilistic method for selection of the best policy. We present computational results about the efficiency of our algorithm. The best policy generated by our algorithm is compared to previously recommended screening policies. Using the policies determined by our model, we present evidence that patients should be screened more aggressively but for a shorter length of time than previously published guidelines recommend. PMID:22302420

Visual-spatial ability is more important than motivation for novices in surgical simulator training: a preliminary study.

PubMed

Schlickum, Marcus; Hedman, Leif; Felländer-Tsai, Li

2016-02-21

To investigate whether surgical simulation performance and previous video gaming experience would correlate with higher motivation to further train a specific simulator task and whether visual-spatial ability would rank higher in importance to surgical performance than the above. It was also examined whether or not motivation would correlate with a preference to choose a surgical specialty in the future and if simulator training would increase the interest in choosing that same work field. Motivation and general interest in surgery was measured pre- and post-training in 30 medical students at Karolinska Institutet who were tested in a laparoscopic surgical simulator in parallel with measurement of visual-spatial ability and self-estimated video gaming experience. Correlations between simulator performance metrics, visual-spatial ability and motivation were statistically analyzed using regression analysis. A good result in the first simulator trial correlated with higher self-determination index (r =-0.46, p=0.05) in male students. Visual-spatial ability was the most important underlying factor followed by intrinsic motivation score and finally video gaming experience (p=0.02, p=0.05, p=0.11) regarding simulator performance in male students. Simulator training increased interest in surgery when studying all subjects (p=0.01), male subjects (p=0.02) as well as subjects with low video gaming experience (p=0.02). This preliminary study highlights individual differences regarding the effect of simulator training on motivation that can be taken into account when designing simulator training curricula, although the sample size is quite small and findings should be interpreted carefully.

Estimation of Dynamic Friction Process of the Akatani Landslide Based on the Waveform Inversion and Numerical Simulation

NASA Astrophysics Data System (ADS)

Yamada, M.; Mangeney, A.; Moretti, L.; Matsushi, Y.

2014-12-01

Understanding physical parameters, such as frictional coefficients, velocity change, and dynamic history, is important issue for assessing and managing the risks posed by deep-seated catastrophic landslides. Previously, landslide motion has been inferred qualitatively from topographic changes caused by the event, and occasionally from eyewitness reports. However, these conventional approaches are unable to evaluate source processes and dynamic parameters. In this study, we use broadband seismic recordings to trace the dynamic process of the deep-seated Akatani landslide that occurred on the Kii Peninsula, Japan, which is one of the best recorded large slope failures. Based on the previous results of waveform inversions and precise topographic surveys done before and after the event, we applied numerical simulations using the SHALTOP numerical model (Mangeney et al., 2007). This model describes homogeneous continuous granular flows on a 3D topography based on a depth averaged thin layer approximation. We assume a Coulomb's friction law with a constant friction coefficient, i. e. the friction is independent of the sliding velocity. We varied the friction coefficients in the simulation so that the resulting force acting on the surface agrees with the single force estimated from the seismic waveform inversion. Figure shows the force history of the east-west components after the band-pass filtering between 10-100 seconds. The force history of the simulation with frictional coefficient 0.27 (thin red line) the best agrees with the result of seismic waveform inversion (thick gray line). Although the amplitude is slightly different, phases are coherent for the main three pulses. This is an evidence that the point-source approximation works reasonably well for this particular event. The friction coefficient during the sliding was estimated to be 0.38 based on the seismic waveform inversion performed by the previous study and on the sliding block model (Yamada et al., 2013), whereas the frictional coefficient estimated from the numerical simulation was about 0.27. This discrepancy may be due to the digital elevation model, to the other forces such as pressure gradients and centrifugal acceleration included in the model. However, quantitative interpretation of this difference requires further investigation.

Motor mapping of implied actions during perception of emotional body language.

PubMed

Borgomaneri, Sara; Gazzola, Valeria; Avenanti, Alessio

2012-04-01

Perceiving and understanding emotional cues is critical for survival. Using the International Affective Picture System (IAPS) previous TMS studies have found that watching humans in emotional pictures increases motor excitability relative to seeing landscapes or household objects, suggesting that emotional cues may prime the body for action. Here we tested whether motor facilitation to emotional pictures may reflect the simulation of the human motor behavior implied in the pictures occurring independently of its emotional valence. Motor-evoked potentials (MEPs) to single-pulse TMS of the left motor cortex were recorded from hand muscles during observation and categorization of emotional and neutral pictures. In experiment 1 participants watched neutral, positive and negative IAPS stimuli, while in experiment 2, they watched pictures depicting human emotional (joyful, fearful), neutral body movements and neutral static postures. Experiment 1 confirms the increase in excitability for emotional IAPS stimuli found in previous research and shows, however, that more implied motion is perceived in emotional relative to neutral scenes. Experiment 2 shows that motor excitability and implied motion scores for emotional and neutral body actions were comparable and greater than for static body postures. In keeping with embodied simulation theories, motor response to emotional pictures may reflect the simulation of the action implied in the emotional scenes. Action simulation may occur independently of whether the observed implied action carries emotional or neutral meanings. Our study suggests the need of controlling implied motion when exploring motor response to emotional pictures of humans. Copyright © 2012 Elsevier Inc. All rights reserved.

A WRF-Chem Analysis of Flash Rates, Lightning-NOx Production and Subsequent Trace Gas Chemistry of the 29-30 May 2012 Convective Event in Oklahoma During DC3

NASA Technical Reports Server (NTRS)

Cummings, Kristin A.; Pickering, Kenneth; Barth, Mary; Weinheimer, A.; Bela, M.; Li, Y; Allen, D.; Bruning, E.; MacGorman, D.; Rutledge, S.;

Numerical simulation of plasma processes driven by transverse ion heating

NASA Technical Reports Server (NTRS)

Singh, Nagendra; Chan, C. B.

1993-01-01

The plasma processes driven by transverse ion heating in a diverging flux tube are investigated with numerical simulation. The heating is found to drive a host of plasma processes, in addition to the well-known phenomenon of ion conics. The downward electric field near the reverse shock generates a doublestreaming situation consisting of two upflowing ion populations with different average flow velocities. The electric field in the reverse shock region is modulated by the ion-ion instability driven by the multistreaming ions. The oscillating fields in this region have the possibility of heating electrons. These results from the simulations are compared with results from a previous study based on a hydrodynamical model. Effects of spatial resolutions provided by simulations on the evolution of the plasma are discussed.

Normal Brain-Skull Development with Hybrid Deformable VR Models Simulation.

PubMed

Jin, Jing; De Ribaupierre, Sandrine; Eagleson, Roy

2016-01-01

This paper describes a simulation framework for a clinical application involving skull-brain co-development in infants, leading to a platform for craniosynostosis modeling. Craniosynostosis occurs when one or more sutures are fused early in life, resulting in an abnormal skull shape. Surgery is required to reopen the suture and reduce intracranial pressure, but is difficult without any predictive model to assist surgical planning. We aim to study normal brain-skull growth by computer simulation, which requires a head model and appropriate mathematical methods for brain and skull growth respectively. On the basis of our previous model, we further specified suture model into fibrous and cartilaginous sutures and develop algorithm for skull extension. We evaluate the resulting simulation by comparison with datasets of cases and normal growth.

Computing muscle, ligament, and osseous contributions to the elbow varus moment during baseball pitching

PubMed Central

Buffi, James H.; Werner, Katie; Kepple, Tom; Murray, Wendy M.

2014-01-01

Baseball pitching imposes a dangerous valgus load on the elbow that puts the joint at severe risk for injury. The goal of this study was to develop a musculoskeletal modeling approach to enable evaluation of muscle-tendon contributions to mitigating elbow injury risk in pitching. We implemented a forward dynamic simulation framework that used a scaled biomechanical model to reproduce a pitching motion recorded from a high school pitcher. The medial elbow muscles generated substantial, protective, varus elbow moments in our simulations. For our subject, the triceps generated large varus moments at the time of peak valgus loading; varus moments generated by the flexor digitorum superficialis were larger, but occurred later in the motion. Increasing muscle-tendon force output, either by augmenting parameters associated with strength and power or by increasing activation levels, decreased the load on the ulnar collateral ligament. Published methods have not previously quantified the biomechanics of elbow muscles during pitching. This simulation study represents a critical advancement in the study of baseball pitching and highlights the utility of simulation techniques in the study of this difficult problem. PMID:25281409

Large-Eddy/Lattice Boltzmann Simulations of Micro-blowing Strategies for Subsonic and Supersonic Drag Control

NASA Technical Reports Server (NTRS)

Menon, Suresh

2003-01-01

This report summarizes the progress made in the first 8 to 9 months of this research. The Lattice Boltzmann Equation (LBE) methodology for Large-eddy Simulations (LES) of microblowing has been validated using a jet-in-crossflow test configuration. In this study, the flow intake is also simulated to allow the interaction to occur naturally. The Lattice Boltzmann Equation Large-eddy Simulations (LBELES) approach is capable of capturing not only the flow features associated with the flow, such as hairpin vortices and recirculation behind the jet, but also is able to show better agreement with experiments when compared to previous RANS predictions. The LBELES is shown to be computationally very efficient and therefore, a viable method for simulating the injection process. Two strategies have been developed to simulate multi-hole injection process as in the experiment. In order to allow natural interaction between the injected fluid and the primary stream, the flow intakes for all the holes have to be simulated. The LBE method is computationally efficient but is still 3D in nature and therefore, there may be some computational penalty. In order to study a large number or holes, a new 1D subgrid model has been developed that will simulate a reduced form of the Navier-Stokes equation in these holes.

Simulation-based training for nurses: Systematic review and meta-analysis.

PubMed

Hegland, Pål A; Aarlie, Hege; Strømme, Hilde; Jamtvedt, Gro

2017-07-01

Simulation-based training is a widespread strategy to improve health-care quality. However, its effect on registered nurses has previously not been established in systematic reviews. The aim of this systematic review is to evaluate effect of simulation-based training on nurses' skills and knowledge. We searched CDSR, DARE, HTA, CENTRAL, CINAHL, MEDLINE, Embase, ERIC, and SveMed+ for randomised controlled trials (RCT) evaluating effect of simulation-based training among nurses. Searches were completed in December 2016. Two reviewers independently screened abstracts and full-text, extracted data, and assessed risk of bias. We compared simulation-based training to other learning strategies, high-fidelity simulation to other simulation strategies, and different organisation of simulation training. Data were analysed through meta-analysis and narrative syntheses. GRADE was used to assess the quality of evidence. Fifteen RCTs met the inclusion criteria. For the comparison of simulation-based training to other learning strategies on nurses' skills, six studies in the meta-analysis showed a significant, but small effect in favour of simulation (SMD -1.09, CI -1.72 to -0.47). There was large heterogeneity (I 2 85%). For the other comparisons, there was large between-study variation in results. The quality of evidence for all comparisons was graded as low. The effect of simulation-based training varies substantially between studies. Our meta-analysis showed a significant effect of simulation training compared to other learning strategies, but the quality of evidence was low indicating uncertainty. Other comparisons showed inconsistency in results. Based on our findings simulation training appears to be an effective strategy to improve nurses' skills, but further good-quality RCTs with adequate sample sizes are needed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Testing the Reliability of Cluster Mass Indicators with a Systematics Limited Dataset

NASA Technical Reports Server (NTRS)

Juett, Adrienne M.; Davis, David S.; Mushotzky, Richard

2009-01-01

We present the mass X-ray observable scaling relationships for clusters of galaxies using the XMM-Newton cluster catalog of Snowden et al. Our results are roughly consistent with previous observational and theoretical work, with one major exception. We find 2-3 times the scatter around the best fit mass scaling relationships as expected from cluster simulations or seen in other observational studies. We suggest that this is a consequence of using hydrostatic mass, as opposed to virial mass, and is due to the explicit dependence of the hydrostatic mass on the gradients of the temperature and gas density profiles. We find a larger range of slope in the cluster temperature profiles at radii 500 than previous observational studies. Additionally, we find only a weak dependence of the gas mass fraction on cluster mass, consistent with a constant. Our average gas mass fraction results also argue for a closer study of the systematic errors due to instrumental calibration and modeling method variations between analyses. We suggest that a more careful study of the differences between various observational results and with cluster simulations is needed to understand sources of bias and scatter in cosmological studies of galaxy clusters.

Comprehensive Peptide Ion Structure Studies Using Ion Mobility Techniques: Part 3. Relating Solution-Phase to Gas-Phase Structures.

PubMed

Kondalaji, Samaneh Ghassabi; Khakinejad, Mahdiar; Valentine, Stephen J

2018-06-01

Molecular dynamics (MD) simulations have been utilized to study peptide ion conformer establishment during the electrospray process. An explicit water model is used for nanodroplets containing a model peptide and hydronium ions. Simulations are conducted at 300 K for two different peptide ion charge configurations and for droplets containing varying numbers of hydronium ions. For all conditions, modeling has been performed until production of the gas-phase ions and the resultant conformers have been compared to proposed gas-phase structures. The latter species were obtained from previous studies in which in silico candidate structures were filtered according to ion mobility and hydrogen-deuterium exchange (HDX) reactivity matches. Results from the present study present three key findings namely (1) the evidence from ion production modeling supports previous structure refinement studies based on mobility and HDX reactivity matching, (2) the modeling of the electrospray process is significantly improved by utilizing initial droplets existing below but close to the calculated Rayleigh limit, and (3) peptide ions in the nanodroplets sample significantly different conformers than those in the bulk solution due to altered physicochemical properties of the solvent. Graphical Abstract ᅟ.

Simulation as a preoperative planning approach in advanced heart failure patients. A retrospective clinical analysis.

PubMed

Capoccia, Massimo; Marconi, Silvia; Singh, Sanjeet Avtaar; Pisanelli, Domenico M; De Lazzari, Claudio

2018-05-02

Modelling and simulation may become clinically applicable tools for detailed evaluation of the cardiovascular system and clinical decision-making to guide therapeutic intervention. Models based on pressure-volume relationship and zero-dimensional representation of the cardiovascular system may be a suitable choice given their simplicity and versatility. This approach has great potential for application in heart failure where the impact of left ventricular assist devices has played a significant role as a bridge to transplant and more recently as a long-term solution for non eligible candidates. We sought to investigate the value of simulation in the context of three heart failure patients with a view to predict or guide further management. CARDIOSIM © was the software used for this purpose. The study was based on retrospective analysis of haemodynamic data previously discussed at a multidisciplinary meeting. The outcome of the simulations addressed the value of a more quantitative approach in the clinical decision process. Although previous experience, co-morbidities and the risk of potentially fatal complications play a role in clinical decision-making, patient-specific modelling may become a daily approach for selection and optimisation of device-based treatment for heart failure patients. Willingness to adopt this integrated approach may be the key to further progress.

Stochastic modeling and simulation of reaction-diffusion system with Hill function dynamics.

PubMed

Chen, Minghan; Li, Fei; Wang, Shuo; Cao, Young

2017-03-14

Stochastic simulation of reaction-diffusion systems presents great challenges for spatiotemporal biological modeling and simulation. One widely used framework for stochastic simulation of reaction-diffusion systems is reaction diffusion master equation (RDME). Previous studies have discovered that for the RDME, when discretization size approaches zero, reaction time for bimolecular reactions in high dimensional domains tends to infinity. In this paper, we demonstrate that in the 1D domain, highly nonlinear reaction dynamics given by Hill function may also have dramatic change when discretization size is smaller than a critical value. Moreover, we discuss methods to avoid this problem: smoothing over space, fixed length smoothing over space and a hybrid method. Our analysis reveals that the switch-like Hill dynamics reduces to a linear function of discretization size when the discretization size is small enough. The three proposed methods could correctly (under certain precision) simulate Hill function dynamics in the microscopic RDME system.

Spotting the difference in molecular dynamics simulations of biomolecules

NASA Astrophysics Data System (ADS)

Sakuraba, Shun; Kono, Hidetoshi

2016-08-01

Comparing two trajectories from molecular simulations conducted under different conditions is not a trivial task. In this study, we apply a method called Linear Discriminant Analysis with ITERative procedure (LDA-ITER) to compare two molecular simulation results by finding the appropriate projection vectors. Because LDA-ITER attempts to determine a projection such that the projections of the two trajectories do not overlap, the comparison does not suffer from a strong anisotropy, which is an issue in protein dynamics. LDA-ITER is applied to two test cases: the T4 lysozyme protein simulation with or without a point mutation and the allosteric protein PDZ2 domain of hPTP1E with or without a ligand. The projection determined by the method agrees with the experimental data and previous simulations. The proposed procedure, which complements existing methods, is a versatile analytical method that is specialized to find the "difference" between two trajectories.

JT9D performance deterioration results from a simulated aerodynamic load test

NASA Technical Reports Server (NTRS)

Stakolich, E. G.; Stromberg, W. J.

1981-01-01

The results of testing to identify the effects of simulated aerodynamic flight loads on JT9D engine performance are presented. The test results were also used to refine previous analytical studies on the impact of aerodynamic flight loads on performance losses. To accomplish these objectives, a JT9D-7AH engine was assembled with average production clearances and new seals as well as extensive instrumentation to monitor engine performance, case temperatures, and blade tip clearance changes. A special loading device was designed and constructed to permit application of known moments and shear forces to the engine by the use of cables placed around the flight inlet. The test was conducted in the Pratt & Whitney Aircraft X-Ray Test Facility to permit the use of X-ray techniques in conjunction with laser blade tip proximity probes to monitor important engine clearance changes. Upon completion of the test program, the test engine was disassembled, and the condition of gas path parts and final clearances were documented. The test results indicate that the engine lost 1.1 percent in thrust specific fuel consumption (TSFC), as measured under sea level static conditions, due to increased operating clearances caused by simulated flight loads. This compares with 0.9 percent predicted by the analytical model and previous study efforts.

A concentrated parameter model for the human cardiovascular system including heart valve dynamics and atrioventricular interaction.

PubMed

Korakianitis, Theodosios; Shi, Yubing

2006-09-01

Numerical modeling of the human cardiovascular system has always been an active research direction since the 19th century. In the past, various simulation models of different complexities were proposed for different research purposes. In this paper, an improved numerical model to study the dynamic function of the human circulation system is proposed. In the development of the mathematical model, the heart chambers are described with a variable elastance model. The systemic and pulmonary loops are described based on the resistance-compliance-inertia concept by considering local effects of flow friction, elasticity of blood vessels and inertia of blood in different segments of the blood vessels. As an advancement from previous models, heart valve dynamics and atrioventricular interaction, including atrial contraction and motion of the annulus fibrosus, are specifically modeled. With these improvements the developed model can predict several important features that were missing in previous numerical models, including regurgitant flow on heart valve closure, the value of E/A velocity ratio in mitral flow, the motion of the annulus fibrosus (called the KG diaphragm pumping action), etc. These features have important clinical meaning and their changes are often related to cardiovascular diseases. Successful simulation of these features enhances the accuracy of simulations of cardiovascular dynamics, and helps in clinical studies of cardiac function.

Hybrid method to estimate two-layered superficial tissue optical properties from simulated data of diffuse reflectance spectroscopy.

PubMed

Hsieh, Hong-Po; Ko, Fan-Hua; Sung, Kung-Bin

2018-04-20

An iterative curve fitting method has been applied in both simulation [J. Biomed. Opt.17, 107003 (2012)JBOPFO1083-366810.1117/1.JBO.17.10.107003] and phantom [J. Biomed. Opt.19, 077002 (2014)JBOPFO1083-366810.1117/1.JBO.19.7.077002] studies to accurately extract optical properties and the top layer thickness of a two-layered superficial tissue model from diffuse reflectance spectroscopy (DRS) data. This paper describes a hybrid two-step parameter estimation procedure to address two main issues of the previous method, including (1) high computational intensity and (2) converging to local minima. The parameter estimation procedure contained a novel initial estimation step to obtain an initial guess, which was used by a subsequent iterative fitting step to optimize the parameter estimation. A lookup table was used in both steps to quickly obtain reflectance spectra and reduce computational intensity. On simulated DRS data, the proposed parameter estimation procedure achieved high estimation accuracy and a 95% reduction of computational time compared to previous studies. Furthermore, the proposed initial estimation step led to better convergence of the following fitting step. Strategies used in the proposed procedure could benefit both the modeling and experimental data processing of not only DRS but also related approaches such as near-infrared spectroscopy.

Striped gold nanoparticles: New insights from molecular dynamics simulations

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

Velachi, Vasumathi, E-mail: vasuphy@gmail.com; Cordeiro, M. Natália D. S., E-mail: ncordeir@fc.up.pt; Bhandary, Debdip

Recent simulations have improved our knowledge of the molecular-level structure and hydration properties of mixed self-assembled monolayers (SAMs) with equal and unequal alkyl thiols at three different arrangements, namely, random, patchy, and Janus. In our previous work [V. Vasumathi et al., J. Phys. Chem. C 119, 3199–3209 (2015)], we showed that the bending of longer thiols over shorter ones clearly depends on the thiols’ arrangements and chemical nature of their terminal groups. In addition, such a thiol bending revealed to have a strong impact on the structural and hydration properties of SAMs coated on gold nanoparticles (AuNPs). In this paper,more » we extend our previous atomistic simulation study to investigate the bending of longer thiols by increasing the stripe thickness of mixed SAMs of equal and unequal lengths coated on AuNPs. We study also the effect of stripe thickness on the structural morphology and hydration of the coated SAMs. Our results show that the structural and hydration properties of SAMs are affected by the stripe thickness for mixtures of alkyl thiols with unequal chain length but not for equal length. Hence, the stability of the stripe configuration depends on the alkyl’s chain length, the length difference between the thiol mixtures, and solvent properties.« less

Climate Impact of a Regional Nuclear Weapons Exchange: An Improved Assessment Based On Detailed Source Calculations

NASA Astrophysics Data System (ADS)

Reisner, Jon; D'Angelo, Gennaro; Koo, Eunmo; Even, Wesley; Hecht, Matthew; Hunke, Elizabeth; Comeau, Darin; Bos, Randall; Cooley, James

2018-03-01

We present a multiscale study examining the impact of a regional exchange of nuclear weapons on global climate. Our models investigate multiple phases of the effects of nuclear weapons usage, including growth and rise of the nuclear fireball, ignition and spread of the induced firestorm, and comprehensive Earth system modeling of the oceans, land, ice, and atmosphere. This study follows from the scenario originally envisioned by Robock, Oman, Stenchikov, et al. (2007, https://doi.org/10.5194/acp-7-2003-2007), based on the analysis of Toon et al. (2007, https://doi.org/10.5194/acp-7-1973-2007), which assumes a regional exchange between India and Pakistan of fifty 15 kt weapons detonated by each side. We expand this scenario by modeling the processes that lead to production of black carbon, in order to refine the black carbon forcing estimates of these previous studies. When the Earth system model is initiated with 5 × 109 kg of black carbon in the upper troposphere (approximately from 9 to 13 km), the impact on climate variables such as global temperature and precipitation in our simulations is similar to that predicted by previously published work. However, while our thorough simulations of the firestorm produce about 3.7 × 109 kg of black carbon, we find that the vast majority of the black carbon never reaches an altitude above weather systems (approximately 12 km). Therefore, our Earth system model simulations conducted with model-informed atmospheric distributions of black carbon produce significantly lower global climatic impacts than assessed in prior studies, as the carbon at lower altitudes is more quickly removed from the atmosphere. In addition, our model ensembles indicate that statistically significant effects on global surface temperatures are limited to the first 5 years and are much smaller in magnitude than those shown in earlier works. None of the simulations produced a nuclear winter effect. We find that the effects on global surface temperatures are not uniform and are concentrated primarily around the highest arctic latitudes, dramatically reducing the global impact on human health and agriculture compared with that reported by earlier studies. Our analysis demonstrates that the probability of significant global cooling from a limited exchange scenario as envisioned in previous studies is highly unlikely, a conclusion supported by examination of natural analogs, such as large forest fires and volcanic eruptions.

Climate impact of a regional nuclear weapons exchange: An improved assessment based on detailed source calculations

DOE PAGES

Reisner, Jon Michael; D'Angelo, Gennaro; Koo, Eunmo; ...

2018-02-13

In this paper, we present a multi-scale study examining the impact of a regional exchange of nuclear weapons on global climate. Our models investigate multiple phases of the effects of nuclear weapons usage, including growth and rise of the nuclear fireball, ignition and spread of the induced firestorm, and comprehensive Earth system modeling of the oceans, land, ice, and atmosphere. This study follows from the scenario originally envisioned by Robock et al. (2007a), based on the analysis of Toon et al. (2007), which assumes a regional exchange between India and Pakistan of fifty 15-kiloton weapons detonated by each side. Wemore » expand this scenario by modeling the processes that lead to production of black carbon, in order to refine the black carbon forcing estimates of these previous studies. When the Earth system model is initiated with 5 × 10 9 kg of black carbon in the upper troposphere (approximately 9 to 13 km), the impact on climate variables such as global temperature and precipitation in our simulations is similar to that predicted by previously published work. However, while our thorough simulations of the firestorm produce about 3.7 × 10 9 kg of black carbon, we find that the vast majority of the black carbon never reaches an altitude above weather systems (approximately 12 km). Therefore, our Earth system model simulations conducted with model-informed atmospheric distributions of black carbon produce significantly lower global climatic impacts than assessed in prior studies, as the carbon at lower altitudes is more quickly removed from the atmosphere. In addition, our model ensembles indicate that statistically significant effects on global surface temperatures are limited to the first 5 years and are much smaller in magnitude than those shown in earlier works. None of the simulations produced a nuclear winter effect. We find that the effects on global surface temperatures are not uniform and are concentrated primarily around the highest arctic latitudes, dramatically reducing the global impact on human health and agriculture compared with that reported by earlier studies. Lastly, our analysis demonstrates that the probability of significant global cooling from a limited exchange scenario as envisioned in the previous studies is highly unlikely, a conclusion supported by examination of natural analogs, such as large forest fires and volcanic eruptions.« less

Climate impact of a regional nuclear weapons exchange: An improved assessment based on detailed source calculations

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

Reisner, Jon Michael; D'Angelo, Gennaro; Koo, Eunmo

In this paper, we present a multi-scale study examining the impact of a regional exchange of nuclear weapons on global climate. Our models investigate multiple phases of the effects of nuclear weapons usage, including growth and rise of the nuclear fireball, ignition and spread of the induced firestorm, and comprehensive Earth system modeling of the oceans, land, ice, and atmosphere. This study follows from the scenario originally envisioned by Robock et al. (2007a), based on the analysis of Toon et al. (2007), which assumes a regional exchange between India and Pakistan of fifty 15-kiloton weapons detonated by each side. Wemore » expand this scenario by modeling the processes that lead to production of black carbon, in order to refine the black carbon forcing estimates of these previous studies. When the Earth system model is initiated with 5 × 10 9 kg of black carbon in the upper troposphere (approximately 9 to 13 km), the impact on climate variables such as global temperature and precipitation in our simulations is similar to that predicted by previously published work. However, while our thorough simulations of the firestorm produce about 3.7 × 10 9 kg of black carbon, we find that the vast majority of the black carbon never reaches an altitude above weather systems (approximately 12 km). Therefore, our Earth system model simulations conducted with model-informed atmospheric distributions of black carbon produce significantly lower global climatic impacts than assessed in prior studies, as the carbon at lower altitudes is more quickly removed from the atmosphere. In addition, our model ensembles indicate that statistically significant effects on global surface temperatures are limited to the first 5 years and are much smaller in magnitude than those shown in earlier works. None of the simulations produced a nuclear winter effect. We find that the effects on global surface temperatures are not uniform and are concentrated primarily around the highest arctic latitudes, dramatically reducing the global impact on human health and agriculture compared with that reported by earlier studies. Lastly, our analysis demonstrates that the probability of significant global cooling from a limited exchange scenario as envisioned in the previous studies is highly unlikely, a conclusion supported by examination of natural analogs, such as large forest fires and volcanic eruptions.« less

MEASUREMENT AND ANALYSIS OF VAPOR SENSORS USED AT UNDERGROUND STORAGE TANK SITES

EPA Science Inventory

This report is a continuation of an investigation to quantify the operating characteristics of vapor sensor technologies used at underground storage tank (UST) sites. n the previous study (EPA/600/R-92/219) the sensitivity, selectivity, and response time to simulated UST environm...

Modeling emissions of volatile organic compounds from silage storages and feed lanes

USDA-ARS?s Scientific Manuscript database

An initial volatile organic compound (VOC) emission model for silage sources, developed using experimental data from previous studies, was incorporated into the Integrated Farm System Model (IFSM), a whole-farm simulation model used to assess the performance, environmental impacts, and economics of ...

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.

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

Numerical Study of Wake Vortex Interaction with the Ground Using the Terminal Area Simulation System

NASA Technical Reports Server (NTRS)

Proctor, Fred H.; Han, Jongil

1999-01-01

A sensitivity study for the in-ground effect on aircraft wake vortices has been conducted using a validated large eddy simulation model. The numerical results are compared with observed data and show good agreement for vortex decay and lateral vortex transport. The vortex decay rate is strongly influenced by the ground, but appears somewhat insensitive to ambient turbulence. In addition, the results show that the ground can affect the trajectory and descent-rate of a wake vortex pair at elevations up to about 3 b(sub o) (where b(sub o) is the initial vortex separation). However, the ground does not influence the average circulation of the vortices until the cores descend to within about 0.6 b(sub o), after which time the ground greatly enhances their rate of demise. Vortex rebound occurs in the simulations, but is more subtle than shown in previous numerical studies.

Isolation of rpoB mutations causing rifampicin resistance in Bacillus subtilis spores exposed to simulated Martian surface conditions.

PubMed

Perkins, Amy E; Schuerger, Andrew C; Nicholson, Wayne L

2008-12-01

ABSTRACT Bacterial spores are considered prime candidates for Earth-to-Mars transport by natural processes and human spaceflight activities. Previous studies have shown that exposure of Bacillus subtilis spores to ultrahigh vacuum (UHV) characteristic of space both increased the spontaneous mutation rate and altered the spectrum of mutation in various marker genes; but, to date, mutagenesis studies have not been performed on spores exposed to milder low pressures encountered in the martian environment. Mutations to rifampicin-resistance (Rif(R)) were isolated in B. subtilis spores exposed to simulated martian atmosphere (99.9% CO(2), 710 Pa) for 21 days in a Mars Simulation Chamber (MSC) and compared to parallel Earth controls. Exposure in the MSC reduced spore viability by approximately 67% compared to Earth controls, but this decrease was not statistically significant (P = 0.3321). The frequency of mutation to Rif(R) was also not significantly increased in the MSC compared to Earth-exposed spores (P = 0.479). Forty-two and 51 Rif(R) mutant spores were isolated from the MSC- and Earth-exposed controls, respectively. Nucleotide sequencing located the Rif(R) mutations in the rpoB gene encoding the beta subunit of RNA polymerase at residue V135F of the N-cluster and at residues Q469K/L, H482D/P/R/Y, and S487L in Cluster I. No mutations were found in rpoB Clusters II or III. Two new alleles, Q469L and H482D, previously unreported in B. subtilis rpoB, were isolated from spores exposed in the MSC; otherwise, only slight differences were observed in the spectra of spontaneous Rif(R) mutations from spores exposed to Earth vs. the MSC. However, both spectra are distinctly different from Rif(R) mutations previously reported arising from B. subtilis spores exposed to simulated space vacuum.

Improving prospective memory performance with future event simulation in traumatic brain injury patients.

PubMed

Mioni, Giovanna; Bertucci, Erica; Rosato, Antonella; Terrett, Gill; Rendell, Peter G; Zamuner, Massimo; Stablum, Franca

2017-06-01

Previous studies have shown that traumatic brain injury (TBI) patients have difficulties with prospective memory (PM). Considering that PM is closely linked to independent living it is of primary interest to develop strategies that can improve PM performance in TBI patients. This study employed Virtual Week task as a measure of PM, and we included future event simulation to boost PM performance. Study 1 evaluated the efficacy of the strategy and investigated possible practice effects. Twenty-four healthy participants performed Virtual Week in a no strategy condition, and 24 healthy participants performed it in a mixed condition (no strategy - future event simulation). In Study 2, 18 TBI patients completed the mixed condition of Virtual Week and were compared with the 24 healthy controls who undertook the mixed condition of Virtual Week in Study 1. All participants also completed a neuropsychological evaluation to characterize the groups on level of cognitive functioning. Study 1 showed that participants in the future event simulation condition outperformed participants in the no strategy condition, and these results were not attributable to practice effects. Results of Study 2 showed that TBI patients performed PM tasks less accurately than controls, but that future event simulation can substantially reduce TBI-related deficits in PM performance. The future event simulation strategy also improved the controls' PM performance. These studies showed the value of future event simulation strategy in improving PM performance in healthy participants as well as in TBI patients. TBI patients performed PM tasks less accurately than controls, confirming prospective memory impairment in these patients. Participants in the future event simulation condition out-performed participants in the no strategy condition. Future event simulation can substantially reduce TBI-related deficits in PM performance. Future event simulation strategy also improved the controls' PM performance. © 2017 The British Psychological Society.

Development and Validation of an Automated Simulation Capability in Support of Integrated Demand Management

NASA Technical Reports Server (NTRS)

Arneson, Heather; Evans, Antony D.; Li, Jinhua; Wei, Mei Yueh

2017-01-01

Integrated Demand Management (IDM) is a near- to mid-term NASA concept that proposes to address mismatches in air traffic system demand and capacity by using strategic flow management capabilities to pre-condition demand into the more tactical Time-Based Flow Management System (TBFM). This paper describes an automated simulation capability to support IDM concept development. The capability closely mimics existing human-in-the-loop (HITL) capabilities, automating both the human components and collaboration between operational systems, and speeding up the real-time aircraft simulations. Such a capability allows for parametric studies that will inform the HITL simulations, identifying breaking points and parameter values at which significant changes in system behavior occur. This paper also describes the initial validation of individual components of the automated simulation capability, and an example application comparing the performance of the IDM concept under two TBFM scheduling paradigms. The results and conclusions from this simulation compare closely to those from previous HITL simulations using similar scenarios, providing an initial validation of the automated simulation capability.

Molecular simulation investigation into the performance of Cu-BTC metal-organic frameworks for carbon dioxide-methane separations.

PubMed

Gutiérrez-Sevillano, Juan José; Caro-Pérez, Alejandro; Dubbeldam, David; Calero, Sofía

2011-12-07

We report a molecular simulation study for Cu-BTC metal-organic frameworks as carbon dioxide-methane separation devices. For this study we have computed adsorption and diffusion of methane and carbon dioxide in the structure, both as pure components and mixtures over the full range of bulk gas compositions. From the single component isotherms, mixture adsorption is predicted using the ideal adsorbed solution theory. These predictions are in very good agreement with our computed mixture isotherms and with previously reported data. Adsorption and diffusion selectivities and preferential sitings are also discussed with the aim to provide new molecular level information for all studied systems.

Numerical studies of electron dynamics in oblique quasi-perpendicular collisionless shock waves

NASA Technical Reports Server (NTRS)

Liewer, P. C.; Decyk, V. K.; Dawson, J. M.; Lembege, B.

1991-01-01

Linear and nonlinear electron damping of the whistler precursor wave train to low Mach number quasi-perpendicular oblique shocks is studied using a one-dimensional electromagnetic plasma simulation code with particle electrons and ions. In some parameter regimes, electrons are observed to trap along the magnetic field lines in the potential of the whistler precursor wave train. This trapping can lead to significant electron heating in front of the shock for low beta(e). Use of a 64-processor hypercube concurrent computer has enabled long runs using realistic mass ratios in the full particle in-cell code and thus simulate shock parameter regimes and phenomena not previously studied numerically.

Modeling of Nonacoustic Combustion Instability in Simulations of Hybrid Motor Tests

NASA Technical Reports Server (NTRS)

Rocker, M.

2000-01-01

A transient model of a hybrid motor was formulated to study the cause and elimination of nonacoustic combustion instability. The transient model was used to simulate four key tests out of a series of seventeen hybrid motor tests conducted by Thiokol, Rocketdyne, and Martin Marietta at NASA Marshall Space Flight Center (MSFC). These tests were performed under the Hybrid Propulsion Technology for Launch Vehicle Boosters (HPTLVB) program. The first test resulted in stable combustion. The second test resulted in large-amplitude, 6.5-Hz chamber pressure oscillations that gradually damped away by the end of the test. The third test resulted in large-amplitude, 7.5-Hz chamber pressure oscillations that were sustained throughout the test. The seventh test resulted in elimination of combustion instability with the installation of an orifice immediately upstream of the injector. Formulation and implementation of the model are the scope of this presentation. The current model is an independent continuation of modeling presented previously by joint Thiokol-Rocketdyne collaborators Boardman, Hawkins, Wassom. and Claflin. The previous model simulated an unstable independent research and development (IR&D) hybrid motor test performed by Thiokol. There was very good agreement between the model and test data. Like the previous model, the current model was developed using Matrix-x simulation software. However, tests performed at MSFC under the HPTLVB program were actually simulated. ln the current model, the hybrid motor, consisting of the liquid oxygen (lox) injector, the multiport solid fuel grain, and nozzle, was simulated. The lox feedsystem, consisting of the tank, venturi. valve, and feed lines, was also simulated in the model. All components of the hybrid motor and lox feedsystem are treated by a lumped-parameter approach. Agreement between the results of the transient model and actual test data was very good. This agreement between simulated and actual test data indicated that the combustion instability in the hybrid motor was due to two causes: 1. a lox feed system of insufficient stiffness, and 2. a lox injector with an impedance (it pressure drop that was too low to provide damping against the feed system oscillations. Also, it was discovered that testing with a new grain of solid fuel sustained the combustion instability. However, testing with a used grain of solid fuel caused the combustion instability to gradually decay.

Simulation of Non-Acoustic Combustion Instability in a Hybrid Rocket Motor

NASA Technical Reports Server (NTRS)

Rocker, Marvin

1999-01-01

A transient model of a hybrid motor was formulated to study the cause and elimination of non-acoustic combustion instability. The transient model was used to simulate four key tests out of a series of seventeen hybrid motor tests conducted by Thiokol, Rocketdyne and Martin Marietta at NASA/Marshall Space Flight Center (NASAIMSFC). These tests were performed under the Hybrid Propulsion Technology for Launch Vehicle Boosters (HPTLVB) program. The first test resulted in stable combustion. The second test resulted in large-amplitude, 6.5 Hz chamber pressure oscillations that gradually damped away by the end of the test. The third test resulted in large-amplitude, 7.5 Hz chamber pressure oscillations that were sustained throughout the test. The seventh test resulted in the elimination of combustion instability with the installation of an orifice immediately upstream of the injector. The formulation and implementation of the model are the scope of this presentation. The current model is an independent continuation of modeling presented previously by joint Thiokol-Rocketdyne collaborators Boardman, Hawkins, Wassom, and Claflin. The previous model simulated an unstable IR&D hybrid motor test performed by Thiokol. There was very good agreement between the model and the test data. Like the previous model, the current model was developed using Matrix-x simulation software. However, the tests performed at NASA/MSFC under the HPTLVB program were actually simulated. In the current model, the hybrid motor consisting of the liquid oxygen (LOX) injector, the multi-port solid fuel grain and the nozzle was simulated. Also, simulated in the model was the LOX feed system consisting of the tank, venturi, valve and feed lines. All components of the hybrid motor and LOX feed system are treated by a lumped-parameter approach. Agreement between the results of the transient model and the actual test data was very good. This agreement between simulated and actual test data indicated that the combustion instability in the hybrid motor was due to two causes. The first cause was a LOX feed system of insufficient stiffness. The second cause was a LOX injector with an impedance or pressure drop that was too low to provide damping against the feed system oscillations. Also, it was discovered that testing with a new grain of solid fuel sustained the combustion instability. However, testing with a used grain of solid fuel caused the combustion instability to gradually decay.

Simulation of Non-Acoustic Combustion Instability in a Hybrid Rocket Motor

NASA Technical Reports Server (NTRS)

Rocker, Marvin

1999-01-01

A transient model of a hybrid motor was formulated to study the cause and elimination of non-acoustic combustion instability. The transient model was used to simulate four key tests out of a series of seventeen hybrid motor tests conducted by Thiokol, Rocketdyne and Martin Marietta at NASA/Marshall Space Flight Center (NASA/MSFC). These tests were performed under the Hybrid Propulsion Technology for Launch Vehicle Boosters (HPTLVB) program. The first test resulted in stable combustion. The second test resulted in large-amplitude, 6.5 Hz chamber pressure oscillations that gradually damped away by the end of the test. The third test resulted in large-amplitude, 7.5 Hz chamber pressure oscillations that were sustained throughout the test. The seventh test resulted in the elimination of combustion instability with the installation of an orifice immediately upstream of the injector. The formulation and implementation of the model are the scope of this presentation. The current model is an independent continuation of modeling presented previously by joint Thiokol-Rocketdyne collaborators Boardman, Hawkins, Wassom, and Claflin. The previous model simulated an unstable IR&D hybrid motor test performed by Thiokol. There was very good agreement between the model and the test data. Like the previous model, the current model was developed using Matrix-x simulation software. However, the tests performed at NASA/MSFC under the HPTLVB program were actually simulated. In the current model, the hybrid motor consisting of the liquid oxygen (LOX) injector, the multi-port solid fuel grain and the nozzle was simulated. Also, simulated in the model was the LOX feed system consisting of the tank, venturi, valve and feed lines. All components of the hybrid motor and LOX feed system are treated by a lumped-parameter approach. Agreement between the results of the transient model and the actual test data was very good. This agreement between simulated and actual test data indicated that the combustion instability in the hybrid motor was due to two causes. The first cause was a LOX feed system of insufficient stiffness. The second cause was a LOX injector with an impedance or pressure drop that was too low to provide damping against the feed system oscillations. Also, it was discovered that testing with a new grain of solid fuel sustained the combustion instability. However, testing with a used grain of solid fuel caused the combustion instability to gradually decay.

Constraining the noise-free distribution of halo spin parameters

NASA Astrophysics Data System (ADS)

Benson, Andrew J.

2017-11-01

Any measurement made using an N-body simulation is subject to noise due to the finite number of particles used to sample the dark matter distribution function, and the lack of structure below the simulation resolution. This noise can be particularly significant when attempting to measure intrinsically small quantities, such as halo spin. In this work, we develop a model to describe the effects of particle noise on halo spin parameters. This model is calibrated using N-body simulations in which the particle noise can be treated as a Poisson process on the underlying dark matter distribution function, and we demonstrate that this calibrated model reproduces measurements of halo spin parameter error distributions previously measured in N-body convergence studies. Utilizing this model, along with previous measurements of the distribution of halo spin parameters in N-body simulations, we place constraints on the noise-free distribution of halo spins. We find that the noise-free median spin is 3 per cent lower than that measured directly from the N-body simulation, corresponding to a shift of approximately 40 times the statistical uncertainty in this measurement arising purely from halo counting statistics. We also show that measurement of the spin of an individual halo to 10 per cent precision requires at least 4 × 104 particles in the halo - for haloes containing 200 particles, the fractional error on spins measured for individual haloes is of order unity. N-body simulations should be viewed as the results of a statistical experiment applied to a model of dark matter structure formation. When viewed in this way, it is clear that determination of any quantity from such a simulation should be made through forward modelling of the effects of particle noise.

Simulation of in vivo dynamics during robot assisted joint movement.

PubMed

Bobrowitsch, Evgenij; Lorenz, Andrea; Wülker, Nikolaus; Walter, Christian

2014-12-16

Robots are very useful tools in orthopedic research. They can provide force/torque controlled specimen motion with high repeatability and precision. A method to analyze dissipative energy outcome in an entire joint was developed in our group. In a previous study, a sheep knee was flexed while axial load remained constant during the measurement of dissipated energy. We intend to apply this method for the investigation of osteoarthritis. Additionally, the method should be improved by simulation of in vivo knee dynamics. Thus, a new biomechanical testing tool will be developed for analyzing in vitro joint properties after different treatments. Discretization of passive knee flexion was used to construct a complex flexion movement by a robot and simulate altering axial load similar to in vivo sheep knee dynamics described in a previous experimental study. The robot applied an in vivo like axial force profile with high reproducibility during the corresponding knee flexion (total standard deviation of 0.025 body weight (BW)). A total residual error between the in vivo and simulated axial force was 0.16 BW. Posterior-anterior and medio-lateral forces were detected by the robot as a backlash of joint structures. Their curve forms were similar to curve forms of corresponding in vivo measured forces, but in contrast to the axial force, they showed higher total standard deviation of 0.118 and 0.203 BW and higher total residual error of 0.79 and 0.21 BW for posterior-anterior and medio-lateral forces respectively. We developed and evaluated an algorithm for the robotic simulation of complex in vivo joint dynamics using a joint specimen. This should be a new biomechanical testing tool for analyzing joint properties after different treatments.

Excess protons in water-acetone mixtures. II. A conductivity study.

PubMed

Semino, Rocío; Longinotti, M Paula

2013-10-28

In the present work we complement a previous simulation study [R. Semino and D. Laria, J. Chem. Phys. 136, 194503 (2012)] on the disruption of the proton transfer mechanism in water by the addition of an aprotic solvent, such as acetone. We provide experimental measurements of the mobility of protons in aqueous-acetone mixtures in a wide composition range, for water molar fractions, xw, between 0.05 and 1.00. Furthermore, new molecular dynamics simulation results are presented for rich acetone mixtures, which provide further insight into the proton transport mechanism in water-non-protic solvent mixtures. The proton mobility was analyzed between xw 0.05 and 1.00 and compared to molecular dynamics simulation data. Results show two qualitative changes in the proton transport composition dependence at xw ∼ 0.25 and 0.8. At xw < 0.25 the ratio of the infinite dilution molar conductivities of HCl and LiCl, Λ(0)(HCl).Λ(0)(LiCl)(-1), is approximately constant and equal to one, since the proton diffusion is vehicular and equal to that of Li(+). At xw ∼ 0.25, proton mobility starts to differ from that of Li(+) indicating that above this concentration the Grotthuss transport mechanism starts to be possible. Molecular dynamics simulation results showed that at this threshold concentration the probability of interconversion between two Eigen structures starts to be non-negligible. At xw ∼ 0.8, the infinite molar conductivity of HCl concentration dependence qualitatively changes. This result is in excellent agreement with the analysis presented in the previous simulation work and it has been ascribed to the interchange of water and acetone molecules in the second solvation shell of the hydronium ion.

Cost: the missing outcome in simulation-based medical education research: a systematic review.

PubMed

Zendejas, Benjamin; Wang, Amy T; Brydges, Ryan; Hamstra, Stanley J; Cook, David A

2013-02-01

The costs involved with technology-enhanced simulation remain unknown. Appraising the value of simulation-based medical education (SBME) requires complete accounting and reporting of cost. We sought to summarize the quantity and quality of studies that contain an economic analysis of SBME for the training of health professions learners. We performed a systematic search of MEDLINE, EMBASE, CINAHL, ERIC, PsychINFO, Scopus, key journals, and previous review bibliographies through May 2011. Articles reporting original research in any language evaluating the cost of simulation, in comparison with nonstimulation instruction or another simulation intervention, for training practicing and student physicians, nurses, and other health professionals were selected. Reviewers working in duplicate evaluated study quality and abstracted information on learners, instructional design, cost elements, and outcomes. From a pool of 10,903 articles we identified 967 comparative studies. Of these, 59 studies (6.1%) reported any cost elements and 15 (1.6%) provided information on cost compared with another instructional approach. We identified 11 cost components reported, most often the cost of the simulator (n = 42 studies; 71%) and training materials (n = 21; 36%). Ten potential cost components were never reported. The median number of cost components reported per study was 2 (range, 1-9). Only 12 studies (20%) reported cost in the Results section; most reported it in the Discussion (n = 34; 58%). Cost reporting in SBME research is infrequent and incomplete. We propose a comprehensive model for accounting and reporting costs in SBME. Copyright © 2013 Mosby, Inc. All rights reserved.

Modeling the finger joint moments in a hand at the maximal isometric grip: the effects of friction.

PubMed

Wu, John Z; Dong, Ren G; McDowell, Thomas W; Welcome, Daniel E

2009-12-01

The interaction between the handle and operator's hand affects the comfort and safety of tool and machine operations. In most of the previous studies, the investigators considered only the normal contact forces. The effect of friction on the joint moments in fingers has not been analyzed. Furthermore, the observed contact forces have not been linked to the internal musculoskeletal loading in the previous experimental studies. In the current study, we proposed a universal model of a hand to evaluate the joint moments in the fingers during grasping tasks. The hand model was developed on the platform of the commercial software package AnyBody. Only four fingers (index, long, ring, and little finger) were included in the model. The anatomical structure of each finger is comprised of four phalanges (distal, middle, proximal, and metacarpal phalange). The simulations were performed using an inverse dynamics technique. The joint angles and the normal contact forces on each finger section reported by previous researchers were used as inputs, while the joint moments of each finger were predicted. The predicted trends of the dependence of the distal interphalangeal (DIP) and proximal interphalangeal (PIP) joint moments on the cylinder diameter agree with those of the contact forces on the fingers observed in the previous experimental study. Our results show that the DIP and PIP joint moments reach their maximums at a cylinder diameter of about 31mm, which is consistent with the trend of the finger contact forces measured in the experiments. The proposed approach will be useful for simulating musculoskeletal loading in the hand for occupational activities, thereby optimizing tool-handle design.

Implementing the DC Mode in Cosmological Simulations with Supercomoving Variables

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

Gnedin, Nickolay Y; Kravtsov, Andrey V; Rudd, Douglas H

2011-06-02

As emphasized by previous studies, proper treatment of the density fluctuation on the fundamental scale of a cosmological simulation volume - the 'DC mode' - is critical for accurate modeling of spatial correlations on scales ~> 10% of simulation box size. We provide further illustration of the effects of the DC mode on the abundance of halos in small boxes and show that it is straightforward to incorporate this mode in cosmological codes that use the 'supercomoving' variables. The equations governing evolution of dark matter and baryons recast with these variables are particularly simple and include the expansion factor, andmore » hence the effect of the DC mode, explicitly only in the Poisson equation.« less

Modern Scientific Visualization is more than Just Pretty Pictures

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

Bethel, E Wes; Rubel, Oliver; Wu, Kesheng

2008-12-05

While the primary product of scientific visualization is images and movies, its primary objective is really scientific insight. Too often, the focus of visualization research is on the product, not the mission. This paper presents two case studies, both that appear in previous publications, that focus on using visualization technology to produce insight. The first applies"Query-Driven Visualization" concepts to laser wakefield simulation data to help identify and analyze the process of beam formation. The second uses topological analysis to provide a quantitative basis for (i) understanding the mixing process in hydrodynamic simulations, and (ii) performing comparative analysis of data frommore » two different types of simulations that model hydrodynamic instability.« less

Molecular dynamics study of the melting curve of NiTi alloy under pressure

NASA Astrophysics Data System (ADS)

Zeng, Zhao-Yi; Hu, Cui-E.; Cai, Ling-Cang; Chen, Xiang-Rong; Jing, Fu-Qian

2011-02-01

The melting curve of NiTi alloy was predicted by using molecular dynamics simulations combining with the embedded atom model potential. The calculated thermal equation of state consists well with our previous results obtained from quasiharmonic Debye approximation. Fitting the well-known Simon form to our Tm data yields the melting curves for NiTi: 1850(1 + P/21.938)0.328 (for one-phase method) and 1575(1 + P/7.476)0.305 (for two-phase method). The two-phase simulations can effectively eliminate the superheating in one-phase simulations. At 1 bar, the melting temperature of NiTi is 1575 ± 25 K and the corresponding melting slope is 64 K/GPa.

Observations and simulations of specularly reflected He++ at Earth's quasiperpendicular bow shock

NASA Astrophysics Data System (ADS)

Broll, J. M.; Fuselier, S. A.; Trattner, K. J.; Anderson, B. J.; Burch, J. L.; Giles, B. L.

2016-12-01

Specular reflection of protons at Earth's quasiperpendicular bow shock is an important process for supercritical shock dissipation. Previous studies have found evidence of He++ specular reflection from reduced particle distributions downstream from the shock, but confirmation of the process for heavier ions in the shock foot was not possible due to time resolution constraints. We present He++ distributions, observed by MMS in a quasiperpendicular bow shock crossing, that are consistent with specularly reflected He++. We also investigate the He++ dynamics with test-particle simulations in a simulated shock based on this crossing and we conduct wave analysis to determine what processes lead to separate gyrotropization timescales for the transmitted and reflected populations.

Intercomparison of 3D pore-scale flow and solute transport simulation methods

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

Yang, Xiaofan; Mehmani, Yashar; Perkins, William A.

2016-09-01

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include methods that 1) explicitly model the three-dimensional geometry of pore spaces and 2) those that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of class 1, based on direct numerical simulation using computational fluid dynamics (CFD) codes, against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of class 1 based on the immersed-boundary method (IMB),more » lattice Boltzmann method (LBM), smoothed particle hydrodynamics (SPH), as well as a model of class 2 (a pore-network model or PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and nonreactive solute transport, and intercompare the model results with previously reported experimental observations. Experimental observations are limited to measured pore-scale velocities, so solute transport comparisons are made only among the various models. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations).« less

Teaching Experience: How to Make and Use PowerPoint-Based Interactive Simulations for Undergraduate IR Teaching

ERIC Educational Resources Information Center

Meibauer, Gustav; Aagaard Nøhr, Andreas

2018-01-01

This article is about designing and implementing PowerPoint-based interactive simulations for use in International Relations (IR) introductory undergraduate classes based on core pedagogical literature, models of human skill acquisition, and previous research on simulations in IR teaching. We argue that simulations can be usefully employed at the…

An improved simulation based biomechanical model to estimate static muscle loadings

NASA Technical Reports Server (NTRS)

Rajulu, Sudhakar L.; Marras, William S.; Woolford, Barbara

1991-01-01

The objectives of this study are to show that the characteristics of an intact muscle are different from those of an isolated muscle and to describe a simulation based model. This model, unlike the optimization based models, accounts for the redundancy in the musculoskeletal system in predicting the amount of forces generated within a muscle. The results of this study show that the loading of the primary muscle is increased by the presence of other muscle activities. Hence, the previous models based on optimization techniques may underestimate the severity of the muscle and joint loadings which occur during manual material handling tasks.

Increased hematuria following hypergravic exposure in middle-aged women

NASA Technical Reports Server (NTRS)

Goldwater, D. J.; Ohara, D. B.; Sandler, H.

1982-01-01

The effects of simulated weightlessness on orthostatic tolerance were studied in 9 women (55 to 65 years old) who underwent acceleration and lower body negative pressure before and after 10 days of horizontal bed rest. The results of this study show the first known association of microscopic hematuria with hypergravic and orthostatic stress which suggests similarities to the 'stress hematuria syndrome' previously seen with heavy exercise (Boileau et al., 1980). In addition, the sporadic occurrence of this phenomenon indicates a multifactorial etiology in predisposed individuals. Bedrest or weightlessness simulation per se does not seem to significantly alter renal function, but may decrease microscopic hematuria with an orthostatic component.

Simulation of diurnal thermal energy storage systems: Preliminary results

NASA Astrophysics Data System (ADS)

Katipamula, S.; Somasundaram, S.; Williams, H. R.

1994-12-01

This report describes the results of a simulation of thermal energy storage (TES) integrated with a simple-cycle gas turbine cogeneration system. Integrating TES with cogeneration can serve the electrical and thermal loads independently while firing all fuel in the gas turbine. The detailed engineering and economic feasibility of diurnal TES systems integrated with cogeneration systems has been described in two previous PNL reports. The objective of this study was to lay the ground work for optimization of the TES system designs using a simulation tool called TRNSYS (TRaNsient SYstem Simulation). TRNSYS is a transient simulation program with a sequential-modular structure developed at the Solar Energy Laboratory, University of Wisconsin-Madison. The two TES systems selected for the base-case simulations were: (1) a one-tank storage model to represent the oil/rock TES system; and (2) a two-tank storage model to represent the molten nitrate salt TES system. Results of the study clearly indicate that an engineering optimization of the TES system using TRNSYS is possible. The one-tank stratified oil/rock storage model described here is a good starting point for parametric studies of a TES system. Further developments to the TRNSYS library of available models (economizer, evaporator, gas turbine, etc.) are recommended so that the phase-change processes is accurately treated.

Star Formation of Merging Disk Galaxies with AGN Feedback Effects

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

Park, Jongwon; Smith, Rory; Yi, Sukyoung K., E-mail: jw.park@yonsei.ac.kr

2017-08-20

Using a numerical hydrodynamics code, we perform various idealized galaxy merger simulations to study the star formation (SF) of two merging disk galaxies. Our simulations include gas accretion onto supermassive black holes and active galactic nucleus (AGN) feedback. By comparing AGN simulations with those without AGNs, we attempt to understand when the AGN feedback effect is significant. Using ∼70 simulations, we investigate SF with the AGN effect in mergers with a variety of mass ratios, inclinations, orbits, galaxy structures, and morphologies. Using these merger simulations with AGN feedback, we measure merger-driven SF using the burst efficiency parameter introduced by Coxmore » et al. We confirm previous studies which demonstrated that, in galaxy mergers, AGN suppresses SF more efficiently than in isolated galaxies. However, we also find that the effect of AGNs on SF is larger in major than in minor mergers. In minor merger simulations with different primary bulge-to-total ratios, the effect of bulge fraction on the merger-driven SF decreases due to AGN feedback. We create models of Sa-, Sb-, and Sc-type galaxies and compare their SF properties while undergoing mergers. With the current AGN prescriptions, the difference in merger-driven SF is not as pronounced as in the recent observational study of Kaviraj. We discuss the implications of this discrepancy.« less

Translating the Simulation of Procedural Drilling Techniques for Interactive Neurosurgical Training

PubMed Central

Stredney, Don; Rezai, Ali R.; Prevedello, Daniel M.; Elder, J. Bradley; Kerwin, Thomas; Hittle, Bradley; Wiet, Gregory J.

2014-01-01

Background Through previous and concurrent efforts, we have developed a fully virtual environment to provide procedural training of otologic surgical technique. The virtual environment is based on high-resolution volumetric data of the regional anatomy. This volumetric data helps drive an interactive multi-sensory, i.e., visual (stereo), aural (stereo), and tactile simulation environment. Subsequently, we have extended our efforts to support the training of neurosurgical procedural technique as part of the CNS simulation initiative. Objective The goal of this multi-level development is to deliberately study the integration of simulation technologies into the neurosurgical curriculum and to determine their efficacy in teaching minimally invasive cranial and skull base approaches. Methods We discuss issues of biofidelity as well as our methods to provide objective, quantitative automated assessment for the residents. Results We conclude with a discussion of our experiences by reporting on preliminary formative pilot studies and proposed approaches to take the simulation to the next level through additional validation studies. Conclusion We have presented our efforts to translate an otologic simulation environment for use in the neurosurgical curriculum. We have demonstrated the initial proof of principles and define the steps to integrate and validate the system as an adjuvant to the neurosurgical curriculum. PMID:24051887

A Pilot Study of Computer-Based Simulation Training for Enhancing Family Medicine Residents' Competence in Computerized Settings.

PubMed

Shachak, Aviv; Domb, Sharon; Borycki, Elizabeth; Fong, Nancy; Skyrme, Alison; Kushniruk, Andre; Reis, Shmuel; Ziv, Amitai

2015-01-01

We previously developed a prototype computer-based simulation to teach residents how to integrate better EMR use in the patient-physician interaction. To evaluate the prototype, we conducted usability tests with three non-clinician students, followed by a pilot study with 16 family medicine residents. The pilot study included pre- and post-test surveys of competencies and attitudes related to using the EMR in the consultation and the acceptability of the simulation, as well as 'think aloud' observations. After using the simulation prototypes, the mean scores for competencies and attitudes improved from 14.88/20 to 15.63/20 and from 22.25/30 to 23.13/30, respectively; however, only the difference for competencies was significant (paired t-test; t=-2.535, p=0.023). Mean scores for perceived usefulness and ease of use of the simulation were good (3.81 and 4.10 on a 5-point scale, respectively). Issues identified in usability testing include confusing interaction with some features, preferences for a more interactive representation of the EMR, and more options for shared decision making. In conclusion, computer-based simulation may be an effective and acceptable tool for teaching residents how to better use EMRs in clinical encounters.

A comparison between electromechanical and pneumatic-controlled knee simulators for the investigation of wear of total knee replacements.

PubMed

Abdelgaied, Abdellatif; Fisher, John; Jennings, Louise M

2017-07-01

More robust preclinical experimental wear simulation methods are required in order to simulate a wider range of activities, observed in different patient populations such as younger more active patients, as well as to fully meet and be capable of going well beyond the existing requirements of the relevant international standards. A new six-station electromechanically driven simulator (Simulation Solutions, UK) with five fully independently controlled axes of articulation for each station, capable of replicating deep knee bending as well as other adverse conditions, which can be operated in either force or displacement control with improved input kinematic following, has been developed to meet these requirements. This study investigated the wear of a fixed-bearing total knee replacement using this electromechanically driven fully independent knee simulator and compared it to previous data from a predominantly pneumatically controlled simulator in which each station was not fully independently controlled. In addition, the kinematic performance and the repeatability of the simulators have been investigated and compared to the international standard requirements. The wear rates from the electromechanical and pneumatic knee simulators were not significantly different, with wear rates of 2.6 ± 0.9 and 2.7 ± 0.9 mm 3 /million cycles (MC; mean ± 95% confidence interval, p = 0.99) and 5.4 ± 1.4 and 6.7 ± 1.5 mm 3 /MC (mean ± 95 confidence interval, p = 0.54) from the electromechanical and pneumatic simulators under intermediate levels (maximum 5 mm) and high levels (maximum 10 mm) of anterior-posterior displacements, respectively. However, the output kinematic profiles of the control system, which drive the motion of the simulator, followed the input kinematic profiles more closely on the electromechanical simulator than the pneumatic simulator. In addition, the electromechanical simulator was capable of following kinematic and loading input cycles within the tolerances of the international standard requirements (ISO 14243-3). The new-generation electromechanical knee simulator with fully independent control has the potential to be used for a much wider range of kinematic conditions, including high-flexion and other severe conditions, due to its improved capability and performance in comparison to the previously used pneumatic-controlled simulators.

A comparison between electromechanical and pneumatic-controlled knee simulators for the investigation of wear of total knee replacements

PubMed Central

Abdelgaied, Abdellatif; Fisher, John; Jennings, Louise M

2017-01-01

More robust preclinical experimental wear simulation methods are required in order to simulate a wider range of activities, observed in different patient populations such as younger more active patients, as well as to fully meet and be capable of going well beyond the existing requirements of the relevant international standards. A new six-station electromechanically driven simulator (Simulation Solutions, UK) with five fully independently controlled axes of articulation for each station, capable of replicating deep knee bending as well as other adverse conditions, which can be operated in either force or displacement control with improved input kinematic following, has been developed to meet these requirements. This study investigated the wear of a fixed-bearing total knee replacement using this electromechanically driven fully independent knee simulator and compared it to previous data from a predominantly pneumatically controlled simulator in which each station was not fully independently controlled. In addition, the kinematic performance and the repeatability of the simulators have been investigated and compared to the international standard requirements. The wear rates from the electromechanical and pneumatic knee simulators were not significantly different, with wear rates of 2.6 ± 0.9 and 2.7 ± 0.9 mm3/million cycles (MC; mean ± 95% confidence interval, p = 0.99) and 5.4 ± 1.4 and 6.7 ± 1.5 mm3/MC (mean ± 95 confidence interval, p = 0.54) from the electromechanical and pneumatic simulators under intermediate levels (maximum 5 mm) and high levels (maximum 10 mm) of anterior–posterior displacements, respectively. However, the output kinematic profiles of the control system, which drive the motion of the simulator, followed the input kinematic profiles more closely on the electromechanical simulator than the pneumatic simulator. In addition, the electromechanical simulator was capable of following kinematic and loading input cycles within the tolerances of the international standard requirements (ISO 14243-3). The new-generation electromechanical knee simulator with fully independent control has the potential to be used for a much wider range of kinematic conditions, including high-flexion and other severe conditions, due to its improved capability and performance in comparison to the previously used pneumatic-controlled simulators. PMID:28661228

Understanding Accretion Disks through Three Dimensional Radiation MHD Simulations

NASA Astrophysics Data System (ADS)

Jiang, Yan-Fei

I study the structures and thermal properties of black hole accretion disks in the radiation pressure dominated regime. Angular momentum transfer in the disk is provided by the turbulence generated by the magneto-rotational instability (MRI), which is calculated self-consistently with a recently developed 3D radiation magneto-hydrodynamics (MHD) code based on Athena. This code, developed by my collaborators and myself, couples both the radiation momentum and energy source terms with the ideal MHD equations by modifying the standard Godunov method to handle the stiff radiation source terms. We solve the two momentum equations of the radiation transfer equations with a variable Eddington tensor (VET), which is calculated with a time independent short characteristic module. This code is well tested and accurate in both optically thin and optically thick regimes. It is also accurate for both radiation pressure and gas pressure dominated flows. With this code, I find that when photon viscosity becomes significant, the ratio between Maxwell stress and Reynolds stress from the MRI turbulence can increase significantly with radiation pressure. The thermal instability of the radiation pressure dominated disk is then studied with vertically stratified shearing box simulations. Unlike the previous results claiming that the radiation pressure dominated disk with MRI turbulence can reach a steady state without showing any unstable behavior, I find that the radiation pressure dominated disks always either collapse or expand until we have to stop the simulations. During the thermal runaway, the heating and cooling rates from the simulations are consistent with the general criterion of thermal instability. However, details of the thermal runaway are different from the predictions of the standard alpha disk model, as many assumptions in that model are not satisfied in the simulations. We also identify the key reasons why previous simulations do not find the instability. The thermal instability has many important implications for understanding the observations of both X-ray binaries and Active Galactic Nuclei (AGNs). However, direct comparisons between observations and the simulations require global radiation MHD simulations, which will be the main focus of my future work.

Large scale atomistic simulation of single-layer graphene growth on Ni(111) surface: molecular dynamics simulation based on a new generation of carbon-metal potential

NASA Astrophysics Data System (ADS)

Xu, Ziwei; Yan, Tianying; Liu, Guiwu; Qiao, Guanjun; Ding, Feng

2015-12-01

To explore the mechanism of graphene chemical vapor deposition (CVD) growth on a catalyst surface, a molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential was performed. We simulated single layer graphene with recorded size (up to 300 atoms per super-cell) and reasonably good quality by MD trajectories up to 15 ns. Detailed processes of graphene CVD growth, such as carbon atom dissolution and precipitation, formation of carbon chains of various lengths, polygons and small graphene domains were observed during the initial process of the MD simulation. The atomistic processes of typical defect healing, such as the transformation from a pentagon into a hexagon and from a pentagon-heptagon pair (5|7) to two adjacent hexagons (6|6), were revealed as well. The study also showed that higher temperature and longer annealing time are essential to form high quality graphene layers, which is in agreement with experimental reports and previous theoretical results.To explore the mechanism of graphene chemical vapor deposition (CVD) growth on a catalyst surface, a molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential was performed. We simulated single layer graphene with recorded size (up to 300 atoms per super-cell) and reasonably good quality by MD trajectories up to 15 ns. Detailed processes of graphene CVD growth, such as carbon atom dissolution and precipitation, formation of carbon chains of various lengths, polygons and small graphene domains were observed during the initial process of the MD simulation. The atomistic processes of typical defect healing, such as the transformation from a pentagon into a hexagon and from a pentagon-heptagon pair (5|7) to two adjacent hexagons (6|6), were revealed as well. The study also showed that higher temperature and longer annealing time are essential to form high quality graphene layers, which is in agreement with experimental reports and previous theoretical results. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06016h

Theory and Design Tools For Studies of Reactions to Abrupt Changes in Noise Exposure

NASA Technical Reports Server (NTRS)

Fields, James M.; Ehrlich, Gary E.; Zador, Paul; Shepherd, Kevin P. (Technical Monitor)

2000-01-01

Study plans, a pre-tested questionnaire, a sample design evaluation tool, a community publicity monitoring plan, and a theoretical framework have been developed to support combined social/acoustical surveys of residents' reactions to an abrupt change in environmental noise, Secondary analyses of more than 20 previous surveys provide estimates of three parameters of a study simulation model; within individual variability, between study wave variability, and between neighborhood variability in response to community noise. The simulation model predicts the precision of the results from social surveys of reactions to noise, including changes in noise. When the study simulation model analyzed the population distribution, noise exposure environments and feasible noise measurement program at a proposed noise change survey site, it was concluded that the site could not yield sufficient precise estimates of human reaction model to justify conducting a survey. Additional secondary analyses determined that noise reactions are affected by the season of the social survey.

SPH Simulations of Spherical Bondi Accretion: First Step of Implementing AGN Feedback in Galaxy Formation

NASA Astrophysics Data System (ADS)

Barai, Paramita; Proga, D.; Nagamine, K.

2011-01-01

Our motivation is to numerically test the assumption of Black Hole (BH) accretion (that the central massive BH of a galaxy accretes mass at the Bondi-Hoyle accretion rate, with ad-hoc choice of parameters), made in many previous galaxy formation studies including AGN feedback. We perform simulations of a spherical distribution of gas, within the radius range 0.1 - 200 pc, accreting onto a central supermassive black hole (the Bondi problem), using the 3D Smoothed Particle Hydrodynamics code Gadget. In our simulations we study the radial distribution of various gas properties (density, velocity, temperature, Mach number). We compute the central mass inflow rate at the inner boundary (0.1 pc), and investigate how different gas properties (initial density and velocity profiles) and computational parameters (simulation outer boundary, particle number) affect the central inflow. Radiative processes (namely heating by a central X-ray corona and gas cooling) have been included in our simulations. We study the thermal history of accreting gas, and identify the contribution of radiative and adiabatic terms in shaping the gas properties. We find that the current implementation of artificial viscosity in the Gadget code causes unwanted extra heating near the inner radius.

The effect of role assignment in high fidelity patient simulation on nursing students: An experimental research study.

PubMed

Weiler, Dustin T; Gibson, Andrea L; Saleem, Jason J

2018-04-01

Previous studies have evaluated the effectiveness of high fidelity patient simulators (HFPS) on nursing training; however, a gap exists on the effects of role assignment on critical thinking, self-efficacy, and situation awareness skills in team-based simulation scenarios. This study aims to determine if role assignment and the involvement level related to the roles yields significant effects and differences in critical thinking, situation awareness and self-efficacy scores in team-based high-fidelity simulation scenarios. A single factorial design with five levels and random assignment was utilized. A public university-sponsored simulation center in the United States of America. A convenience sample of 69 junior-level baccalaureate nursing students was recruited for participation. Participants were randomly assigned one of five possible roles and completed pre-simulation critical thinking and self-efficacy assessments prior to the simulation beginning. Playing within their assigned roles, participants experienced post-partum hemorrhaging scenario using an HFPS. After completing the simulation, participants completed a situation awareness assessment and a post-simulation critical thinking and self-efficacy assessment. Role assignment was found to have a statistically significant effect on critical thinking skills and a statistically significant difference in various areas of self-efficacy was also noted. However, no statistical significance in situation awareness abilities was found. Results support the notion that certain roles required the participant to be more involved with the simulation scenario, which may have yielded higher critical thinking and self-efficacy scores than roles that required a lesser level of involvement. Copyright © 2018 Elsevier Ltd. All rights reserved.

Building an Open-source Simulation Platform of Acoustic Radiation Force-based Breast Elastography

PubMed Central

Wang, Yu; Peng, Bo; Jiang, Jingfeng

2017-01-01

Ultrasound-based elastography including strain elastography (SE), acoustic radiation force Impulse (ARFI) imaging, point shear wave elastography (pSWE) and supersonic shear imaging (SSI) have been used to differentiate breast tumors among other clinical applications. The objective of this study is to extend a previously published virtual simulation platform built for ultrasound quasi-static breast elastography toward acoustic radiation force-based breast elastography. Consequently, the extended virtual breast elastography simulation platform can be used to validate image pixels with known underlying soft tissue properties (i.e. “ground truth”) in complex, heterogeneous media, enhancing confidence in elastographic image interpretations. The proposed virtual breast elastography system inherited four key components from the previously published virtual simulation platform: an ultrasound simulator (Field II), a mesh generator (Tetgen), a finite element solver (FEBio) and a visualization and data processing package (VTK). Using a simple message passing mechanism, functionalities have now been extended to acoustic radiation force-based elastography simulations. Examples involving three different numerical breast models with increasing complexity – one uniform model, one simple inclusion model and one virtual complex breast model derived from magnetic resonance imaging data, were used to demonstrate capabilities of this extended virtual platform. Overall, simulation results were compared with the published results. In the uniform model, the estimated shear wave speed (SWS) values were within 4% compared to the predetermined SWS values. In the simple inclusion and the complex breast models, SWS values of all hard inclusions in soft backgrounds were slightly underestimated, similar to what has been reported. The elastic contrast values and visual observation show that ARFI images have higher spatial resolution, while SSI images can provide higher inclusion-to-background contrast. In summary, our initial results were consistent with our expectations and what have been reported in the literature. The proposed (open-source) simulation platform can serve as a single gateway to perform many elastographic simulations in a transparent manner, thereby promoting collaborative developments. PMID:28075330

Building an open-source simulation platform of acoustic radiation force-based breast elastography

NASA Astrophysics Data System (ADS)

Wang, Yu; Peng, Bo; Jiang, Jingfeng

2017-03-01

Ultrasound-based elastography including strain elastography, acoustic radiation force impulse (ARFI) imaging, point shear wave elastography and supersonic shear imaging (SSI) have been used to differentiate breast tumors among other clinical applications. The objective of this study is to extend a previously published virtual simulation platform built for ultrasound quasi-static breast elastography toward acoustic radiation force-based breast elastography. Consequently, the extended virtual breast elastography simulation platform can be used to validate image pixels with known underlying soft tissue properties (i.e. ‘ground truth’) in complex, heterogeneous media, enhancing confidence in elastographic image interpretations. The proposed virtual breast elastography system inherited four key components from the previously published virtual simulation platform: an ultrasound simulator (Field II), a mesh generator (Tetgen), a finite element solver (FEBio) and a visualization and data processing package (VTK). Using a simple message passing mechanism, functionalities have now been extended to acoustic radiation force-based elastography simulations. Examples involving three different numerical breast models with increasing complexity—one uniform model, one simple inclusion model and one virtual complex breast model derived from magnetic resonance imaging data, were used to demonstrate capabilities of this extended virtual platform. Overall, simulation results were compared with the published results. In the uniform model, the estimated shear wave speed (SWS) values were within 4% compared to the predetermined SWS values. In the simple inclusion and the complex breast models, SWS values of all hard inclusions in soft backgrounds were slightly underestimated, similar to what has been reported. The elastic contrast values and visual observation show that ARFI images have higher spatial resolution, while SSI images can provide higher inclusion-to-background contrast. In summary, our initial results were consistent with our expectations and what have been reported in the literature. The proposed (open-source) simulation platform can serve as a single gateway to perform many elastographic simulations in a transparent manner, thereby promoting collaborative developments.

Three-dimensional benchmark for variable-density flow and transport simulation: matching semi-analytic stability modes for steady unstable convection in an inclined porous box

USGS Publications Warehouse

Voss, Clifford I.; Simmons, Craig T.; Robinson, Neville I.

2010-01-01

This benchmark for three-dimensional (3D) numerical simulators of variable-density groundwater flow and solute or energy transport consists of matching simulation results with the semi-analytical solution for the transition from one steady-state convective mode to another in a porous box. Previous experimental and analytical studies of natural convective flow in an inclined porous layer have shown that there are a variety of convective modes possible depending on system parameters, geometry and inclination. In particular, there is a well-defined transition from the helicoidal mode consisting of downslope longitudinal rolls superimposed upon an upslope unicellular roll to a mode consisting of purely an upslope unicellular roll. Three-dimensional benchmarks for variable-density simulators are currently (2009) lacking and comparison of simulation results with this transition locus provides an unambiguous means to test the ability of such simulators to represent steady-state unstable 3D variable-density physics.

Simulation of ground-water flow in the St. Peter aquifer in an area contaminated by coal-tar derivatives, St. Louis Park, Minnesota. Water Resources Investigation

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

Lorenz, D.L.; Stark, J.R.

1990-01-01

A model constructed to simulate ground-water flow in part of the Prairie du Chien-Jordan and St. Peter aquifers, St. Louis Park, Minnesota, was used to test hypotheses about the movement of ground water contaminated with coal-tar derivatives and to simulate alternatives for reducing the downgradient movement of contamination in the St. Peter aquifer. The model, constructed for a previous study, was applied to simulate the effects of current ground-water withdrawals on the potentiometric surface of the St. Peter aquifer. Model simulations predict that the multiaquifer wells have the potential to limit downgradient migration of contaminants in the St. Peter aquifermore » caused by cones of depression created around the multiaquifer wells. Differences in vertical leakage to the St. Peter aquifer may exist in areas of bedrock valleys. Model simulations indicate that these differences are not likely to affect significantly the general patterns of ground-water flow.« less

Global Simulation of Proton Precipitation Due to Field Line Curvature During Substorms

NASA Technical Reports Server (NTRS)

Gilson, M. L.; Raeder, J.; Donovan, E.; Ge, Y. S.; Kepko, L.

2012-01-01

The low latitude boundary of the proton aurora (known as the Isotropy Boundary or IB) marks an important boundary between empty and full downgoing loss cones. There is significant evidence that the IB maps to a region in the magnetosphere where the ion gyroradius becomes comparable to the local field line curvature. However, the location of the IB in the magnetosphere remains in question. In this paper, we show simulated proton precipitation derived from the Field Line Curvature (FLC) model of proton scattering and a global magnetohydrodynamic simulation during two substorms. The simulated proton precipitation drifts equatorward during the growth phase, intensifies at onset and reproduces the azimuthal splitting published in previous studies. In the simulation, the pre-onset IB maps to 7-8 RE for the substorms presented and the azimuthal splitting is caused by the development of the substorm current wedge. The simulation also demonstrates that the central plasma sheet temperature can significantly influence when and where the azimuthal splitting takes place.

The impact of leadership and team behavior on standard of care delivered during human patient simulation: a pilot study for undergraduate medical students.

PubMed

Carlson, Jim; Min, Elana; Bridges, Diane

2009-01-01

Methodology to train team behavior during simulation has received increased attention, but standard performance measures are lacking, especially at the undergraduate level. Our purposes were to develop a reliable team behavior measurement tool and explore the relationship between team behavior and the delivery of an appropriate standard of care specific to the simulated case. Authors developed a unique team measurement tool based on previous work. Trainees participated in a simulated event involving the presentation of acute dyspnea. Performance was rated by separate raters using the team behavior measurement tool. Interrater reliability was assessed. The relationship between team behavior and the standard of care delivered was explored. The instrument proved to be reliable for this case and group of raters. Team behaviors had a positive relationship with the standard of medical care delivered specific to the simulated case. The methods used provide a possible method for training and assessing team performance during simulation.

Development and Validation of an Automated Simulation Capability in Support of Integrated Demand Management

NASA Technical Reports Server (NTRS)

Arneson, Heather; Evans, Antony D.; Li, Jinhua; Wei, Mei Yueh

2017-01-01

Integrated Demand Management (IDM) is a near- to mid-term NASA concept that proposes to address mismatches in air traffic system demand and capacity by using strategic flow management capabilities to pre-condition demand into the more tactical Time-Based Flow Management System (TBFM). This paper describes an automated simulation capability to support IDM concept development. The capability closely mimics existing human-in-the-loop (HITL) capabilities, while automating both the human components and collaboration between operational systems, and speeding up the real-time aircraft simulations. Such a capability allows for parametric studies to be carried out that can inform the HITL simulations, identifying breaking points and parameter values at which significant changes in system behavior occur. The paper describes the initial validation of the automated simulation capability against results from previous IDM HITL experiments, quantifying the differences. The simulator is then used to explore the performance of the IDM concept under the simple scenario of a capacity constrained airport under a wide range of wind conditions.

The Effect of a Prior Dissection Simulation on Middle School Students' Dissection Performance and Understanding of the Anatomy and Morphology of the Frog

NASA Astrophysics Data System (ADS)

Akpan, Joseph Paul; Andre, Thomas

1999-06-01

Science teachers, school administrators, educators, and the scientific community are faced with ethical controversies over animal dissection in classrooms. Simulation has been proposed as a way of dealing with this issue. One intriguing previous finding was that use of an interactive videodisc dissection facilitated performance on a subsequent actual dissection. This study examined the prior use of simulation of frog dissection in improving students' actual dissection performance and learning of frog anatomy and morphology. There were three experimental conditions: simulation before dissection (SBD); dissection before simulation (DBS); or dissection-only (DO). Results of the study indicated that students receiving SBD performed significantly better than students receiving DBS or DO on both actual dissection and knowledge of the anatomy and morphology. Students' attitudes toward the use of animals for dissection did not change significantly from pretest to posttest and did not interact with treatment. The genders did not differ in achievement, but males were more favorable towards dissection and computers than were females.

Bravyi-Kitaev Superfast simulation of electronic structure on a quantum computer.

PubMed

Setia, Kanav; Whitfield, James D

2018-04-28

Present quantum computers often work with distinguishable qubits as their computational units. In order to simulate indistinguishable fermionic particles, it is first required to map the fermionic state to the state of the qubits. The Bravyi-Kitaev Superfast (BKSF) algorithm can be used to accomplish this mapping. The BKSF mapping has connections to quantum error correction and opens the door to new ways of understanding fermionic simulation in a topological context. Here, we present the first detailed exposition of the BKSF algorithm for molecular simulation. We provide the BKSF transformed qubit operators and report on our implementation of the BKSF fermion-to-qubits transform in OpenFermion. In this initial study of a hydrogen molecule we have compared BKSF, Jordan-Wigner, and Bravyi-Kitaev transforms under the Trotter approximation. The gate count to implement BKSF is lower than Jordan-Wigner but higher than Bravyi-Kitaev. We considered different orderings of the exponentiated terms and found lower Trotter errors than the previously reported for Jordan-Wigner and Bravyi-Kitaev algorithms. These results open the door to the further study of the BKSF algorithm for quantum simulation.

Nationwide Buildings Energy Research enabled through an integrated Data Intensive Scientific Workflow and Advanced Analysis Environment

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

Kleese van Dam, Kerstin; Lansing, Carina S.; Elsethagen, Todd O.

2014-01-28

Modern workflow systems enable scientists to run ensemble simulations at unprecedented scales and levels of complexity, allowing them to study system sizes previously impossible to achieve, due to the inherent resource requirements needed for the modeling work. However as a result of these new capabilities the science teams suddenly also face unprecedented data volumes that they are unable to analyze with their existing tools and methodologies in a timely fashion. In this paper we will describe the ongoing development work to create an integrated data intensive scientific workflow and analysis environment that offers researchers the ability to easily create andmore » execute complex simulation studies and provides them with different scalable methods to analyze the resulting data volumes. The integration of simulation and analysis environments is hereby not only a question of ease of use, but supports fundamental functions in the correlated analysis of simulation input, execution details and derived results for multi-variant, complex studies. To this end the team extended and integrated the existing capabilities of the Velo data management and analysis infrastructure, the MeDICi data intensive workflow system and RHIPE the R for Hadoop version of the well-known statistics package, as well as developing a new visual analytics interface for the result exploitation by multi-domain users. The capabilities of the new environment are demonstrated on a use case that focusses on the Pacific Northwest National Laboratory (PNNL) building energy team, showing how they were able to take their previously local scale simulations to a nationwide level by utilizing data intensive computing techniques not only for their modeling work, but also for the subsequent analysis of their modeling results. As part of the PNNL research initiative PRIMA (Platform for Regional Integrated Modeling and Analysis) the team performed an initial 3 year study of building energy demands for the US Eastern Interconnect domain, which they are now planning to extend to predict the demand for the complete century. The initial study raised their data demands from a few GBs to 400GB for the 3year study and expected tens of TBs for the full century.« less

Remediating Physics Misconceptions Using an Analogy-Based Computer Tutor. Draft.

ERIC Educational Resources Information Center

Murray, Tom; And Others

Described is a computer tutor designed to help students gain a qualitative understanding of important physics concepts. The tutor simulates a teaching strategy called "bridging analogies" that previous research has demonstrated to be successful in one-on-one tutoring and written explanation studies. The strategy is designed to remedy…

Possible Mechanism of Action of the Electromagnetic Fields of Ultralow Frequency on G-protein

NASA Astrophysics Data System (ADS)

Nava, J. J. Godina; Segura, M. A. Rodríguez; García, M. N. Jiménez; Cadena, M. S. Reyes

2008-08-01

Based in several clinical achievements and mathematical simulation of the immune sytem, previously studied, permit us to establish that a possible Mechanism of Action of ultralow frequency Electromagnetic Fields (ELF) is on G-protein as it has been proposed in specialized literature.

Empirical Evaluation of Directional-Dependence Tests

ERIC Educational Resources Information Center

Thoemmes, Felix

2015-01-01

Testing of directional dependence is a method to infer causal direction that recently has attracted some attention. Previous examples by e.g. von Eye and DeShon (2012a) and extensive simulation studies by Pornprasertmanit and Little (2012) have demonstrated that under specific assumptions, directional-dependence tests can recover the true causal…

Adaptive Mechanisms for Treating Missing Information: A Simulation Study

ERIC Educational Resources Information Center

Garcia-Retamero, Rocio; Rieskamp, Jorg

2008-01-01

People often make inferences with incomplete information. Previous research has led to a mixed picture of how people treat missing information. To explain these results, the authors follow the Brunswikian perspective on human inference and hypothesize that the mechanism's accuracy for treating missing information depends on how it is distributed…

Development and Evaluation of a New Air Exchange Rate Algorithm for the Stochastic Human Exposure and Dose Simulation Model (ISES Presentation)

EPA Science Inventory

Previous exposure assessment panel studies have observed considerable seasonal, between-home and between-city variability in residential pollutant infiltration. This is likely a result of differences in home ventilation, or air exchange rates (AER). The Stochastic Human Exposure ...

Using Virtual Reality with and without Gaming Attributes for Academic Achievement

ERIC Educational Resources Information Center

Vogel, Jennifer J.; Greenwood-Ericksen, Adams; Cannon-Bowers, Jan; Bowers, Clint A.

2006-01-01

A subcategory of computer-assisted instruction (CAI), games have additional attributes such as motivation, reward, interactivity, score, and challenge. This study used a quasi-experimental design to determine if previous findings generalize to non simulation-based game designs. Researchers observed significant improvement in the overall population…

Decision-Making Accuracy of CBM Progress-Monitoring Data

ERIC Educational Resources Information Center

Hintze, John M.; Wells, Craig S.; Marcotte, Amanda M.; Solomon, Benjamin G.

2018-01-01

This study examined the diagnostic accuracy associated with decision making as is typically conducted with curriculum-based measurement (CBM) approaches to progress monitoring. Using previously published estimates of the standard errors of estimate associated with CBM, 20,000 progress-monitoring data sets were simulated to model student reading…

Separate versus Concurrent Calibration Methods in Vertical Scaling.

ERIC Educational Resources Information Center

Karkee, Thakur; Lewis, Daniel M.; Hoskens, Machteld; Yao, Lihua; Haug, Carolyn

Two methods to establish a common scale across grades within a content area using a common item design (separate and concurrent) have previously been studied under simulated conditions. Separate estimation is accomplished through separate calibration and grade-by-grade chained linking. Concurrent calibration established the vertical scale in a…

A Hypothetical Perspective on the Relative Contributions of Strategic and Adaptive Control Mechanisms in Plastic Recalibration of Locomotor Heading Direction

NASA Technical Reports Server (NTRS)

Richards, J. T.; Mulavara, A. P.; Ruttley, T.; Peters, B. T.; Warren, L. E.; Bloomberg, J. J.

2006-01-01

We have previously shown that viewing simulated rotary self-motion during treadmill locomotion causes adaptive modification of the control of position and trajectory during over-ground locomotion, which functionally reflects adaptive changes in the sensorimotor integration of visual, vestibular, and proprioceptive cues (Mulavara et al., 2005). The objective of this study was to investigate how strategic changes in torso control during exposure to simulated rotary self-motion during treadmill walking influences adaptive modification of locomotor heading direction during over-ground stepping.

The effect of the rigidity of perfluoropolyether surfactant on its behavior at the water/supercritical carbon dioxide interface.

PubMed

Lu, Lanyuan; Berkowitz, Max L

2005-11-24

We performed a series of molecular dynamics simulations to study the PFPE (perfluoropolyether) and PE (polyether) surfactant monolayers at the water/supercritical carbon dioxide interface. Molecular differences between fluorocarbon surfactant PFPE and its hydrocarbon analogue PE were analyzed. We observed that values of intramolecular bonded interaction parameters which are related to chain rigidity determine the monolayer surface pressure. We show that "good" and "bad" properties of PFPE/PE surfactants are connected to conformational entropy. These results are consistent with our previous micellar simulations.

Theoretical study of piezo-phototronic nano-LEDs.

PubMed

Liu, Ying; Niu, Simiao; Yang, Qing; Klein, Benjamin D B; Zhou, Yu Sheng; Wang, Zhong Lin

2014-11-12

Two-dimensional finite-element simulation of the piezo-phototronic effect in p-n-junction-based devices is carried out for the first time. A charge channel can be induced at the p-n junction interface when strain is applied, given the n-side is a piezoelectric semiconductor and the p-type side is non-piezoelectric semiconductor. This provides the first simulated evidence supporting the previously suggested mechanism responsible for the experimentally observed gigantic change of light-emission efficiency in piezo-phototronic light-emitting devices. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamical Simulations of HD 69830

NASA Astrophysics Data System (ADS)

Payne, Matthew J.; Ford, Eric B.; Wyatt, Mark C.; Booth, Mark

2009-02-01

Previous studies have developed models for the growth and migration of three planets orbiting HD 69830. We perform n-body simulations using MERCURY (Chambers 1999) to explore the implications of these models for: 1) the excitation of planetary orbits via planet-planet interactions, 2) the accretion and clearing of a putative planetesimal disk, 3) the distribution of planetesimal orbits following migration, and 4) the implications for the origin of the observed infrared emission from the HD 69830 system. We report preliminary results that suggest new constraints on the formation of HD 69830.

Ab initio molecular dynamics simulations of the initial stages of solid-electrolyte interphase formation on lithium ion battery graphitic anodes.

PubMed

Leung, Kevin; Budzien, Joanne L

2010-07-07

The decomposition of ethylene carbonate (EC) during the initial growth of solid-electrolyte interphase (SEI) films at the solvent-graphitic anode interface is critical to lithium ion battery operations. Ab initio molecular dynamics simulations of explicit liquid EC/graphite interfaces are conducted to study these electrochemical reactions. We show that carbon edge terminations are crucial at this stage, and that achievable experimental conditions can lead to surprisingly fast EC breakdown mechanisms, yielding decomposition products seen in experiments but not previously predicted.

The Effect of Golden Pothos in Reducing the Level of Volatile Organic Compounds in a Simulated Spacecraft Cabin

NASA Technical Reports Server (NTRS)

Ursprung, Matthew; Amiri, Azita; Kayatin, Matthew; Perry, Jay

2016-01-01

The impact of Golden Pothos on indoor air quality was studied against a simulated spacecraft trace contaminant load model, consistent with the International Space Station (ISS), containing volatile organic compounds (VOCs) and formaldehyde. Previous research provides inconclusive results on the efficacy of plant VOC removal which this projects seeks to rectify through a better experimental design. This work develops a passive system for removing common VOC's from spacecraft and household indoor air and decreasing the necessity for active cabin trace contaminant removal systems.

Affordances and Limitations of Immersive Participatory Augmented Reality Simulations for Teaching and Learning

NASA Astrophysics Data System (ADS)

Dunleavy, Matt; Dede, Chris; Mitchell, Rebecca

2009-02-01

The purpose of this study was to document how teachers and students describe and comprehend the ways in which participating in an augmented reality (AR) simulation aids or hinders teaching and learning. Like the multi-user virtual environment (MUVE) interface that underlies Internet games, AR is a good medium for immersive collaborative simulation, but has different strengths and limitations than MUVEs. Within a design-based research project, the researchers conducted multiple qualitative case studies across two middle schools (6th and 7th grade) and one high school (10th grade) in the northeastern United States to document the affordances and limitations of AR simulations from the student and teacher perspective. The researchers collected data through formal and informal interviews, direct observations, web site posts, and site documents. Teachers and students reported that the technology-mediated narrative and the interactive, situated, collaborative problem solving affordances of the AR simulation were highly engaging, especially among students who had previously presented behavioral and academic challenges for the teachers. However, while the AR simulation provided potentially transformative added value, it simultaneously presented unique technological, managerial, and cognitive challenges to teaching and learning.

Simulation of cryolipolysis as a novel method for noninvasive fat layer reduction.

PubMed

Majdabadi, Abbas; Abazari, Mohammad

2016-12-20

Regarding previous problems in conventional liposuction methods, the need for development of new fat removal operations was appreciated. In this study we are going to simulate one of the novel methods, cryolipolysis, aimed to tackle those drawbacks. We think that simulation of clinical procedures contributes considerably in efficacious performance of the operations. To do this we have attempted to simulate temperature distribution in a sample fat of the human body. Using Abaqus software we have presented the graphical display of temperature-time variations within the medium. Findings of our simulation indicate that tissue temperature decreases after cold exposure of about 30 min. It can be seen that the minimum temperature of tissue occurs in shallow layers of the sample and the temperature in deeper layers of the sample remains nearly unchanged. It is clear that cold exposure time of more than the specific time (t > 30 min) does not result in considerable changes. Numerous clinical studies have proved the efficacy of cryolipolysis. This noninvasive technique has eliminated some of drawbacks of conventional methods. Findings of our simulation clearly prove the efficiency of this method, especially for superficial fat layers.

Using molecular dynamics simulations and finite element method to study the mechanical properties of nanotube reinforced polyethylene and polyketone

NASA Astrophysics Data System (ADS)

Rouhi, S.; Alizadeh, Y.; Ansari, R.; Aryayi, M.

2015-09-01

Molecular dynamics simulations are used to study the mechanical behavior of single-walled carbon nanotube reinforced composites. Polyethylene and polyketone are selected as the polymer matrices. The effects of nanotube atomic structure and diameter on the mechanical properties of polymer matrix nanocomposites are investigated. It is shown that although adding nanotube to the polymer matrix raises the longitudinal elastic modulus significantly, the transverse tensile and shear moduli do not experience important change. As the previous finite element models could not be used for polymer matrices with the atom types other than carbon, molecular dynamics simulations are used to propose a finite element model which can be used for any polymer matrices. It is shown that this model can predict Young’s modulus with an acceptable accuracy.

Hydrodynamic Simulations of Protoplanetary Disks with GIZMO

NASA Astrophysics Data System (ADS)

Rice, Malena; Laughlin, Greg

2018-01-01

Over the past several decades, the field of computational fluid dynamics has rapidly advanced as the range of available numerical algorithms and computationally feasible physical problems has expanded. The development of modern numerical solvers has provided a compelling opportunity to reconsider previously obtained results in search for yet undiscovered effects that may be revealed through longer integration times and more precise numerical approaches. In this study, we compare the results of past hydrodynamic disk simulations with those obtained from modern analytical resources. We focus our study on the GIZMO code (Hopkins 2015), which uses meshless methods to solve the homogeneous Euler equations of hydrodynamics while eliminating problems arising as a result of advection between grid cells. By comparing modern simulations with prior results, we hope to provide an improved understanding of the impact of fluid mechanics upon the evolution of protoplanetary disks.

Hovering Dual-Spin Vehicle Groundwork for Bias Momentum Sizing Validation Experiment

NASA Technical Reports Server (NTRS)

Rothhaar, Paul M.; Moerder, Daniel D.; Lim, Kyong B.

2008-01-01

Angular bias momentum offers significant stability augmentation for hovering flight vehicles. The reliance of the vehicle on thrust vectoring for agility and disturbance rejection is greatly reduced with significant levels of stored angular momentum in the system. A methodical procedure for bias momentum sizing has been developed in previous studies. This current study provides groundwork for experimental validation of that method using an experimental vehicle called the Dual-Spin Test Device, a thrust-levitated platform. Using measured data the vehicle's thrust vectoring units are modeled and a gust environment is designed and characterized. Control design is discussed. Preliminary experimental results of the vehicle constrained to three rotational degrees of freedom are compared to simulation for a case containing no bias momentum to validate the simulation. A simulation of a bias momentum dominant case is presented.

Atomistic simulations of contact area and conductance at nanoscale interfaces.

PubMed

Hu, Xiaoli; Martini, Ashlie

2017-11-09

Atomistic simulations were used to study conductance across the interface between a nanoscale gold probe and a graphite surface with a step edge. Conductance on the graphite terrace was observed to increase with load and be approximately proportional to contact area calculated from the positions of atoms in the interface. The relationship between area and conductance was further explored by varying the position of the contact relative to the location of the graphite step edge. These simulations reproduced a previously-reported current dip at step edges measured experimentally and the trend was explained by changes in both contact area and the distribution of distances between atoms in the interface. The novel approach reported here provides a foundation for future studies of the fundamental relationships between conductance, load and surface topography at the atomic scale.

Corrected goodness-of-fit test in covariance structure analysis.

PubMed

Hayakawa, Kazuhiko

2018-05-17

Many previous studies report simulation evidence that the goodness-of-fit test in covariance structure analysis or structural equation modeling suffers from the overrejection problem when the number of manifest variables is large compared with the sample size. In this study, we demonstrate that one of the tests considered in Browne (1974) can address this long-standing problem. We also propose a simple modification of Satorra and Bentler's mean and variance adjusted test for non-normal data. A Monte Carlo simulation is carried out to investigate the performance of the corrected tests in the context of a confirmatory factor model, a panel autoregressive model, and a cross-lagged panel (panel vector autoregressive) model. The simulation results reveal that the corrected tests overcome the overrejection problem and outperform existing tests in most cases. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

[Acquiring skills in malignant hyperthermia crisis management: comparison of high-fidelity simulation versus computer-based case study].

PubMed

Mejía, Vilma; Gonzalez, Carlos; Delfino, Alejandro E; Altermatt, Fernando R; Corvetto, Marcia A

The primary purpose of this study was to compare the effect of high fidelity simulation versus a computer-based case solving self-study, in skills acquisition about malignant hyperthermia on first year anesthesiology residents. After institutional ethical committee approval, 31 first year anesthesiology residents were enrolled in this prospective randomized single-blinded study. Participants were randomized to either a High Fidelity Simulation Scenario or a computer-based Case Study about malignant hyperthermia. After the intervention, all subjects' performance in was assessed through a high fidelity simulation scenario using a previously validated assessment rubric. Additionally, knowledge tests and a satisfaction survey were applied. Finally, a semi-structured interview was done to assess self-perception of reasoning process and decision-making. 28 first year residents finished successfully the study. Resident's management skill scores were globally higher in High Fidelity Simulation versus Case Study, however they were significant in 4 of the 8 performance rubric elements: recognize signs and symptoms (p = 0.025), prioritization of initial actions of management (p = 0.003), recognize complications (p = 0.025) and communication (p = 0.025). Average scores from pre- and post-test knowledge questionnaires improved from 74% to 85% in the High Fidelity Simulation group, and decreased from 78% to 75% in the Case Study group (p = 0.032). Regarding the qualitative analysis, there was no difference in factors influencing the student's process of reasoning and decision-making with both teaching strategies. Simulation-based training with a malignant hyperthermia high-fidelity scenario was superior to computer-based case study, improving knowledge and skills in malignant hyperthermia crisis management, with a very good satisfaction level in anesthesia residents. Copyright © 2018 Sociedade Brasileira de Anestesiologia. Publicado por Elsevier Editora Ltda. All rights reserved.

State of the evidence on simulation-based training for laparoscopic surgery: a systematic review.

PubMed

Zendejas, Benjamin; Brydges, Ryan; Hamstra, Stanley J; Cook, David A

2013-04-01

Summarize the outcomes and best practices of simulation training for laparoscopic surgery. Simulation-based training for laparoscopic surgery has become a mainstay of surgical training. Much new evidence has accrued since previous reviews were published. We systematically searched the literature through May 2011 for studies evaluating simulation, in comparison with no intervention or an alternate training activity, for training health professionals in laparoscopic surgery. Outcomes were classified as satisfaction, skills (in a test setting) of time (to perform the task), process (eg, performance rating), product (eg, knot strength), and behaviors when caring for patients. We used random effects to pool effect sizes. From 10,903 articles screened, we identified 219 eligible studies enrolling 7138 trainees, including 91 (42%) randomized trials. For comparisons with no intervention (n = 151 studies), pooled effect size (ES) favored simulation for outcomes of knowledge (1.18; N = 9 studies), skills time (1.13; N = 89), skills process (1.23; N = 114), skills product (1.09; N = 7), behavior time (1.15; N = 7), behavior process (1.22; N = 15), and patient effects (1.28; N = 1), all P < 0.05. When compared with nonsimulation instruction (n = 3 studies), results significantly favored simulation for outcomes of skills time (ES, 0.75) and skills process (ES, 0.54). Comparisons between different simulation interventions (n = 79 studies) clarified best practices. For example, in comparison with virtual reality, box trainers have similar effects for process skills outcomes and seem to be superior for outcomes of satisfaction and skills time. Simulation-based laparoscopic surgery training of health professionals has large benefits when compared with no intervention and is moderately more effective than nonsimulation instruction.

Heterogeneity in homogeneous nucleation from billion-atom molecular dynamics simulation of solidification of pure metal.

PubMed

Shibuta, Yasushi; Sakane, Shinji; Miyoshi, Eisuke; Okita, Shin; Takaki, Tomohiro; Ohno, Munekazu

2017-04-05

Can completely homogeneous nucleation occur? Large scale molecular dynamics simulations performed on a graphics-processing-unit rich supercomputer can shed light on this long-standing issue. Here, a billion-atom molecular dynamics simulation of homogeneous nucleation from an undercooled iron melt reveals that some satellite-like small grains surrounding previously formed large grains exist in the middle of the nucleation process, which are not distributed uniformly. At the same time, grains with a twin boundary are formed by heterogeneous nucleation from the surface of the previously formed grains. The local heterogeneity in the distribution of grains is caused by the local accumulation of the icosahedral structure in the undercooled melt near the previously formed grains. This insight is mainly attributable to the multi-graphics processing unit parallel computation combined with the rapid progress in high-performance computational environments.Nucleation is a fundamental physical process, however it is a long-standing issue whether completely homogeneous nucleation can occur. Here the authors reveal, via a billion-atom molecular dynamics simulation, that local heterogeneity exists during homogeneous nucleation in an undercooled iron melt.

Models for small-scale structure on cosmic strings. II. Scaling and its stability

NASA Astrophysics Data System (ADS)

Vieira, J. P. P.; Martins, C. J. A. P.; Shellard, E. P. S.

2016-11-01

We make use of the formalism described in a previous paper [Martins et al., Phys. Rev. D 90, 043518 (2014)] to address general features of wiggly cosmic string evolution. In particular, we highlight the important role played by poorly understood energy loss mechanisms and propose a simple Ansatz which tackles this problem in the context of an extended velocity-dependent one-scale model. We find a general procedure to determine all the scaling solutions admitted by a specific string model and study their stability, enabling a detailed comparison with future numerical simulations. A simpler comparison with previous Goto-Nambu simulations supports earlier evidence that scaling is easier to achieve in the matter era than in the radiation era. In addition, we also find that the requirement that a scaling regime be stable seems to notably constrain the allowed range of energy loss parameters.

Stepwise and stagewise approaches for spatial cluster detection

PubMed Central

Xu, Jiale

2016-01-01

Spatial cluster detection is an important tool in many areas such as sociology, botany and public health. Previous work has mostly taken either hypothesis testing framework or Bayesian framework. In this paper, we propose a few approaches under a frequentist variable selection framework for spatial cluster detection. The forward stepwise methods search for multiple clusters by iteratively adding currently most likely cluster while adjusting for the effects of previously identified clusters. The stagewise methods also consist of a series of steps, but with tiny step size in each iteration. We study the features and performances of our proposed methods using simulations on idealized grids or real geographic area. From the simulations, we compare the performance of the proposed methods in terms of estimation accuracy and power of detections. These methods are applied to the the well-known New York leukemia data as well as Indiana poverty data. PMID:27246273

Stepwise and stagewise approaches for spatial cluster detection.

PubMed

Xu, Jiale; Gangnon, Ronald E

2016-05-01

Spatial cluster detection is an important tool in many areas such as sociology, botany and public health. Previous work has mostly taken either a hypothesis testing framework or a Bayesian framework. In this paper, we propose a few approaches under a frequentist variable selection framework for spatial cluster detection. The forward stepwise methods search for multiple clusters by iteratively adding currently most likely cluster while adjusting for the effects of previously identified clusters. The stagewise methods also consist of a series of steps, but with a tiny step size in each iteration. We study the features and performances of our proposed methods using simulations on idealized grids or real geographic areas. From the simulations, we compare the performance of the proposed methods in terms of estimation accuracy and power. These methods are applied to the the well-known New York leukemia data as well as Indiana poverty data. Copyright © 2016 Elsevier Ltd. All rights reserved.

Spectral optimization simulation of white light based on the photopic eye-sensitivity curve

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

Dai, Qi, E-mail: qidai@tongji.edu.cn; Institute for Advanced Study, Tongji University, 1239 Siping Road, Shanghai 200092; Key Laboratory of Ecology and Energy-saving Study of Dense Habitat

Spectral optimization simulation of white light is studied to boost maximum attainable luminous efficacy of radiation at high color-rendering index (CRI) and various color temperatures. The photopic eye-sensitivity curve V(λ) is utilized as the dominant portion of white light spectra. Emission spectra of a blue InGaN light-emitting diode (LED) and a red AlInGaP LED are added to the spectrum of V(λ) to match white color coordinates. It is demonstrated that at the condition of color temperature from 2500 K to 6500 K and CRI above 90, such white sources can achieve spectral efficacy of 330–390 lm/W, which is higher than the previously reportedmore » theoretical maximum values. We show that this eye-sensitivity-based approach also has advantages on component energy conversion efficiency compared with previously reported optimization solutions.« less

LANDSAT data for state planning. [of transportation for Georgia

NASA Technical Reports Server (NTRS)

Faust, N. L.; Spann, G. W.

1975-01-01

The results of an effort to generate and apply automated classification of LANDSAT digital data to state of Georgia problems are presented. This phase centers on an analysis of the usefulness of LANDSAT digital data to provide land-use data for transportation planning. Hall County, Georgia was chosen as a test site because it is part of a seventeen county area for which the Georgia Department of Transportation is currently designing a Transportation Planning Land-Use Simulation Model. The land-cover information derived from this study was compared to several other existing sources of land-use data for Hall County and input into this simulation. The results indicate that there is difficulty comparing LANDSAT derived land-cover information with previous land-use information since the LANDSAT data are acquired on an acre by acre grid basis while all previous land-use surveys for Hall County used land-use data on a parcel basis.

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.

Assessing Discriminative Performance at External Validation of Clinical Prediction Models

PubMed Central

Nieboer, Daan; van der Ploeg, Tjeerd; Steyerberg, Ewout W.

2016-01-01

Introduction External validation studies are essential to study the generalizability of prediction models. Recently a permutation test, focusing on discrimination as quantified by the c-statistic, was proposed to judge whether a prediction model is transportable to a new setting. We aimed to evaluate this test and compare it to previously proposed procedures to judge any changes in c-statistic from development to external validation setting. Methods We compared the use of the permutation test to the use of benchmark values of the c-statistic following from a previously proposed framework to judge transportability of a prediction model. In a simulation study we developed a prediction model with logistic regression on a development set and validated them in the validation set. We concentrated on two scenarios: 1) the case-mix was more heterogeneous and predictor effects were weaker in the validation set compared to the development set, and 2) the case-mix was less heterogeneous in the validation set and predictor effects were identical in the validation and development set. Furthermore we illustrated the methods in a case study using 15 datasets of patients suffering from traumatic brain injury. Results The permutation test indicated that the validation and development set were homogenous in scenario 1 (in almost all simulated samples) and heterogeneous in scenario 2 (in 17%-39% of simulated samples). Previously proposed benchmark values of the c-statistic and the standard deviation of the linear predictors correctly pointed at the more heterogeneous case-mix in scenario 1 and the less heterogeneous case-mix in scenario 2. Conclusion The recently proposed permutation test may provide misleading results when externally validating prediction models in the presence of case-mix differences between the development and validation population. To correctly interpret the c-statistic found at external validation it is crucial to disentangle case-mix differences from incorrect regression coefficients. PMID:26881753

Assessing Discriminative Performance at External Validation of Clinical Prediction Models.

PubMed

Nieboer, Daan; van der Ploeg, Tjeerd; Steyerberg, Ewout W

2016-01-01

External validation studies are essential to study the generalizability of prediction models. Recently a permutation test, focusing on discrimination as quantified by the c-statistic, was proposed to judge whether a prediction model is transportable to a new setting. We aimed to evaluate this test and compare it to previously proposed procedures to judge any changes in c-statistic from development to external validation setting. We compared the use of the permutation test to the use of benchmark values of the c-statistic following from a previously proposed framework to judge transportability of a prediction model. In a simulation study we developed a prediction model with logistic regression on a development set and validated them in the validation set. We concentrated on two scenarios: 1) the case-mix was more heterogeneous and predictor effects were weaker in the validation set compared to the development set, and 2) the case-mix was less heterogeneous in the validation set and predictor effects were identical in the validation and development set. Furthermore we illustrated the methods in a case study using 15 datasets of patients suffering from traumatic brain injury. The permutation test indicated that the validation and development set were homogenous in scenario 1 (in almost all simulated samples) and heterogeneous in scenario 2 (in 17%-39% of simulated samples). Previously proposed benchmark values of the c-statistic and the standard deviation of the linear predictors correctly pointed at the more heterogeneous case-mix in scenario 1 and the less heterogeneous case-mix in scenario 2. The recently proposed permutation test may provide misleading results when externally validating prediction models in the presence of case-mix differences between the development and validation population. To correctly interpret the c-statistic found at external validation it is crucial to disentangle case-mix differences from incorrect regression coefficients.

A New Approach to Modeling Jupiter's Magnetosphere

NASA Astrophysics Data System (ADS)

Fukazawa, K.; Katoh, Y.; Walker, R. J.; Kimura, T.; Tsuchiya, F.; Murakami, G.; Kita, H.; Tao, C.; Murata, K. T.

2017-12-01

The scales in planetary magnetospheres range from 10s of planetary radii to kilometers. For a number of years we have studied the magnetospheres of Jupiter and Saturn by using 3-dimensional magnetohydrodynamic (MHD) simulations. However, we have not been able to reach even the limits of the MHD approximation because of the large amount of computer resources required. Recently thanks to the progress in supercomputer systems, we have obtained the capability to simulate Jupiter's magnetosphere with 1000 times the number of grid points used in our previous simulations. This has allowed us to combine the high resolution global simulation with a micro-scale simulation of the Jovian magnetosphere. In particular we can combine a hybrid (kinetic ions and fluid electrons) simulation with the MHD simulation. In addition, the new capability enables us to run multi-parameter survey simulations of the Jupiter-solar wind system. In this study we performed a high-resolution simulation of Jovian magnetosphere to connect with the hybrid simulation, and lower resolution simulations under the various solar wind conditions to compare with Hisaki and Juno observations. In the high-resolution simulation we used a regular Cartesian gird with 0.15 RJ grid spacing and placed the inner boundary at 7 RJ. From these simulation settings, we provide the magnetic field out to around 20 RJ from Jupiter as a background field for the hybrid simulation. For the first time we have been able to resolve Kelvin Helmholtz waves on the magnetopause. We have investigated solar wind dynamic pressures between 0.01 and 0.09 nPa for a number of IMF values. These simulation data are open for the registered users to download the raw data. We have compared the results of these simulations with Hisaki auroral observations.

Driving Simulator Performance in Novice Drivers with Autism Spectrum Disorder: The Role of Executive Functions and Basic Motor Skills

ERIC Educational Resources Information Center

Cox, Stephany M.; Cox, Daniel J.; Kofler, Michael J.; Moncrief, Matthew A.; Johnson, Ronald J.; Lambert, Ann E.; Cain, Sarah A.; Reeve, Ronald E.

2016-01-01

Previous studies have shown that individuals with autism spectrum disorder (ASD) demonstrate poorer driving performance than their peers and are less likely to obtain a driver's license. This study aims to examine the relationship between driving performance and executive functioning for novice drivers, with and without ASD, using a driving…

The role of sulfates on antifreeze protein activity.

PubMed

Meister, Konrad; Duman, John G; Xu, Yao; DeVries, Arthur L; Leitner, David M; Havenith, Martina

2014-07-17

In the present study, we have investigated the effect of sodium sulfate (Na2SO4) buffer on the antifreeze activity of DAFP-1, the primary AFP in the hemolymph of the beetle Dendroides canadensis. In contrast to previous studies, we found evidence that sodium sulfate does not suppress antifreeze activity of DAFP-1. Terahertz absorption spectroscopy (THz) studies were combined with molecular dynamics (MD) simulations to investigate the change in collective hydrogen bond dynamics in the vicinity of the AFP upon addition of sodium sulfate. The MD simulations revealed that the gradient of H-bond dynamics toward the ice-binding site is even more pronounced when adding sodium sulfate: The cosolute dramatically slows the hydrogen bond dynamics on the ice-binding plane of DAFP-1, whereas it has a more modest effect in the vicinity of other parts of the protein. These theoretical predictions are in agreement with the experimentally observed increase in THz absorption for solvated DAFP-1 upon addition of sodium sulfate. These studies support our previously postulated mechanism for AF activity, with a preferred ice binding by threonine on nanoice crystals which is supported by a long-range effect on hydrogen bond dynamics.

Spacecraft applications of advanced global positioning system technology

NASA Technical Reports Server (NTRS)

1988-01-01

This is the final report on the Texas Instruments Incorporated (TI) simulations study of Spacecraft Application of Advanced Global Positioning System (GPS) Technology. This work was conducted for the NASA Johnson Space Center (JSC) under contract NAS9-17781. GPS, in addition to its baselined capability as a highly accurate spacecraft navigation system, can provide traffic control, attitude control, structural control, and uniform time base. In Phase 1 of this program, another contractor investigated the potential of GPS in these four areas and compared GPS to other techniques. This contract was for the Phase 2 effort, to study the performance of GPS for these spacecraft applications through computer simulations. TI had previously developed simulation programs for GPS differential navigation and attitude measurement. These programs were adapted for these specific spacecraft applications. In addition, TI has extensive expertise in the design and production of advanced GPS receivers, including space-qualified GPS receivers. We have drawn on this background to augment the simulation results in the system level overview, which is Section 2 of this report.

Evaluation of Boreal Summer Monsoon Intraseasonal Variability in the GASS-YOTC Multi-Model Physical Processes Experiment

NASA Astrophysics Data System (ADS)

Mani, N. J.; Waliser, D. E.; Jiang, X.

2014-12-01

While the boreal summer monsoon intraseasonal variability (BSISV) exerts profound influence on the south Asian monsoon, the capability of present day dynamical models in simulating and predicting the BSISV is still limited. The global model evaluation project on vertical structure and diabatic processes of the Madden Julian Oscillations (MJO) is a joint venture, coordinated by the Working Group on Numerical Experimentation (WGNE) MJO Task Force and GEWEX Atmospheric System Study (GASS) program, for assessing the model deficiencies in simulating the ISV and for improving our understanding of the underlying processes. In this study the simulation of the northward propagating BSISV is investigated in 26 climate models with special focus on the vertical diabatic heating structure and clouds. Following parallel lines of inquiry as the MJO Task Force has done with the eastward propagating MJO, we utilize previously proposed and newly developed model performance metrics and process diagnostics and apply them to the global climate model simulations of BSISV.

Estimation of state and material properties during heat-curing molding of composite materials using data assimilation: A numerical study.

PubMed

Matsuzaki, Ryosuke; Tachikawa, Takeshi; Ishizuka, Junya

2018-03-01

Accurate simulations of carbon fiber-reinforced plastic (CFRP) molding are vital for the development of high-quality products. However, such simulations are challenging and previous attempts to improve the accuracy of simulations by incorporating the data acquired from mold monitoring have not been completely successful. Therefore, in the present study, we developed a method to accurately predict various CFRP thermoset molding characteristics based on data assimilation, a process that combines theoretical and experimental values. The degree of cure as well as temperature and thermal conductivity distributions during the molding process were estimated using both temperature data and numerical simulations. An initial numerical experiment demonstrated that the internal mold state could be determined solely from the surface temperature values. A subsequent numerical experiment to validate this method showed that estimations based on surface temperatures were highly accurate in the case of degree of cure and internal temperature, although predictions of thermal conductivity were more difficult.

Dynamic Mesh CFD Simulations of Orion Parachute Pendulum Motion During Atmospheric Entry

NASA Technical Reports Server (NTRS)

Halstrom, Logan D.; Schwing, Alan M.; Robinson, Stephen K.

2016-01-01

This paper demonstrates the usage of computational fluid dynamics to study the effects of pendulum motion dynamics of the NASAs Orion Multi-Purpose Crew Vehicle parachute system on the stability of the vehicles atmospheric entry and decent. Significant computational fluid dynamics testing has already been performed at NASAs Johnson Space Center, but this study sought to investigate the effect of bulk motion of the parachute, such as pitching, on the induced aerodynamic forces. Simulations were performed with a moving grid geometry oscillating according to the parameters observed in flight tests. As with the previous simulations, OVERFLOW computational fluid dynamics tool is used with the assumption of rigid, non-permeable geometry. Comparison to parachute wind tunnel tests is included for a preliminary validation of the dynamic mesh model. Results show qualitative differences in the flow fields of the static and dynamic simulations and quantitative differences in the induced aerodynamic forces, suggesting that dynamic mesh modeling of the parachute pendulum motion may uncover additional dynamic effects.

Equivalence of Brownian dynamics and dynamic Monte Carlo simulations in multicomponent colloidal suspensions.

PubMed

Cuetos, Alejandro; Patti, Alessandro

2015-08-01

We propose a simple but powerful theoretical framework to quantitatively compare Brownian dynamics (BD) and dynamic Monte Carlo (DMC) simulations of multicomponent colloidal suspensions. By extending our previous study focusing on monodisperse systems of rodlike colloids, here we generalize the formalism described there to multicomponent colloidal mixtures and validate it by investigating the dynamics in isotropic and liquid crystalline phases containing spherical and rodlike particles. In order to investigate the dynamics of multicomponent colloidal systems by DMC simulations, it is key to determine the elementary time step of each species and establish a unique timescale. This is crucial to consistently study the dynamics of colloidal particles with different geometry. By analyzing the mean-square displacement, the orientation autocorrelation functions, and the self part of the van Hove correlation functions, we show that DMC simulation is a very convenient and reliable technique to describe the stochastic dynamics of any multicomponent colloidal system. Our theoretical formalism can be easily extended to any colloidal system containing size and/or shape polydisperse particles.

Three-Dimensional Simulations of Oblique Asteroid Impacts into Water

NASA Astrophysics Data System (ADS)

Gisler, G. R.; Ferguson, J. M.; Heberling, T.; Plesko, C. S.; Weaver, R.

2016-12-01

Waves generated by impacts into oceans may represent the most significant danger from near-earth asteroids and comets. For impacts near populated shores, the crown splash and subsequent waves, accompanied by sediment lofting and high winds, could be more damaging than storm surges from the strongest hurricanes. For asteroids less than 500 m in diameter that impact into deep water far from shores, the waves produced will be detectable over large distances, but probably not significantly dangerous. We present new three-dimensional simulations of oblique impacts into deep water, with trajectory angles ranging from 20 degrees to 60 degrees (where 90 degrees is vertical). These simulations are performed with the Los Alamos Rage hydrocode, and include atmospheric effects including ablation and airbursts. These oblique impact simulations are specifically performed in order to help determine whether there are additional dangers from the obliquity of impact not covered by previous two-dimensional studies. Water surface elevation profiles, surface pressures, and depth-averaged mass fluxes within the water are prepared for use in propagation studies.

Evaluation of dispersion strengthened nickel-base alloy heat shields for space shuttle application

NASA Technical Reports Server (NTRS)

Johnson, R., Jr.; Killpatrick, D. H.

1976-01-01

The results obtained in a program to evaluate dispersion-strengthened nickel-base alloys for use in a metallic radiative thermal protection system operating at surface temperatures to 1477 K for the space shuttle were presented. Vehicle environments having critical effects on the thermal protection system are defined; TD Ni-20Cr characteristics of material used in the current study are compared with previous results; cyclic load, temperature, and pressure effects on sheet material residual strength are investigated; the effects of braze reinforcement in improving the efficiency of spotwelded joints are evaluated; parametric studies of metallic radiative thermal protection systems are reported; and the design, instrumentation, and testing of full scale subsize heat shield panels in two configurations are described. Initial tests of full scale subsize panels included simulated meteoroid impact tests, simulated entry flight aerodynamic heating, programmed differential pressure loads and temperatures simulating mission conditions, and acoustic tests simulating sound levels experienced during boost flight.

Probing the cosmic gamma-ray burst rate with trigger simulations of the swift burst alert telescope

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

Lien, Amy; Cannizzo, John K.; Sakamoto, Takanori

The gamma-ray burst (GRB) rate is essential for revealing the connection between GRBs, supernovae, and stellar evolution. Additionally, the GRB rate at high redshift provides a strong probe of star formation history in the early universe. While hundreds of GRBs are observed by Swift, it remains difficult to determine the intrinsic GRB rate due to the complex trigger algorithm of Swift. Current studies of the GRB rate usually approximate the Swift trigger algorithm by a single detection threshold. However, unlike the previously flown GRB instruments, Swift has over 500 trigger criteria based on photon count rate and an additional imagemore » threshold for localization. To investigate possible systematic biases and explore the intrinsic GRB properties, we develop a program that is capable of simulating all the rate trigger criteria and mimicking the image threshold. Our simulations show that adopting the complex trigger algorithm of Swift increases the detection rate of dim bursts. As a result, our simulations suggest that bursts need to be dimmer than previously expected to avoid overproducing the number of detections and to match with Swift observations. Moreover, our results indicate that these dim bursts are more likely to be high redshift events than low-luminosity GRBs. This would imply an even higher cosmic GRB rate at large redshifts than previous expectations based on star formation rate measurements, unless other factors, such as the luminosity evolution, are taken into account. The GRB rate from our best result gives a total number of 4568{sub −1429}{sup +825} GRBs per year that are beamed toward us in the whole universe.« less

Simulation of a 250 kW diesel fuel processor/PEM fuel cell system

NASA Astrophysics Data System (ADS)

Amphlett, J. C.; Mann, R. F.; Peppley, B. A.; Roberge, P. R.; Rodrigues, A.; Salvador, J. P.

Polymer-electrolyte membrane (PEM) fuel cell systems offer a potential power source for utility and mobile applications. Practical fuel cell systems use fuel processors for the production of hydrogen-rich gas. Liquid fuels, such as diesel or other related fuels, are attractive options as feeds to a fuel processor. The generation of hydrogen gas for fuel cells, in most cases, becomes the crucial design issue with respect to weight and volume in these applications. Furthermore, these systems will require a gas clean-up system to insure that the fuel quality meets the demands of the cell anode. The endothermic nature of the reformer will have a significant affect on the overall system efficiency. The gas clean-up system may also significantly effect the overall heat balance. To optimize the performance of this integrated system, therefore, waste heat must be used effectively. Previously, we have concentrated on catalytic methanol-steam reforming. A model of a methanol steam reformer has been previously developed and has been used as the basis for a new, higher temperature model for liquid hydrocarbon fuels. Similarly, our fuel cell evaluation program previously led to the development of a steady-state electrochemical fuel cell model (SSEM). The hydrocarbon fuel processor model and the SSEM have now been incorporated in the development of a process simulation of a 250 kW diesel-fueled reformer/fuel cell system using a process simulator. The performance of this system has been investigated for a variety of operating conditions and a preliminary assessment of thermal integration issues has been carried out. This study demonstrates the application of a process simulation model as a design analysis tool for the development of a 250 kW fuel cell system.

Nonholonomic Hamiltonian Method for Meso-macroscale Simulations of Reacting Shocks

NASA Astrophysics Data System (ADS)

Fahrenthold, Eric; Lee, Sangyup

2015-06-01

The seamless integration of macroscale, mesoscale, and molecular scale models of reacting shock physics has been hindered by dramatic differences in the model formulation techniques normally used at different scales. In recent research the authors have developed the first unified discrete Hamiltonian approach to multiscale simulation of reacting shock physics. Unlike previous work, the formulation employs reacting themomechanical Hamiltonian formulations at all scales, including the continuum. Unlike previous work, the formulation employs a nonholonomic modeling approach to systematically couple the models developed at all scales. Example applications of the method show meso-macroscale shock to detonation simulations in nitromethane and RDX. Research supported by the Defense Threat Reduction Agency.

3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet

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

Wang, Zhenyu; Lin, Yu; Wang, Xueyi

The eigenmode stability properties of three-dimensional lower-hybrid-drift-instabilities (LHDI) in a Harris current sheet with a small but finite guide magnetic field have been systematically studied by employing the gyrokinetic electron and fully kinetic ion (GeFi) particle-in-cell (PIC) simulation model with a realistic ion-to-electron mass ratio m i/m e. In contrast to the fully kinetic PIC simulation scheme, the fast electron cyclotron motion and plasma oscillations are systematically removed in the GeFi model, and hence one can employ the realistic m i/m e. The GeFi simulations are benchmarked against and show excellent agreement with both the fully kinetic PIC simulation and the analytical eigenmode theory. Our studies indicate that, for small wavenumbers, ky, along the current direction, the most unstable eigenmodes are peaked at the location wheremore » $$\\vec{k}$$• $$\\vec{B}$$ =0, consistent with previous analytical and simulation studies. Here, $$\\vec{B}$$ is the equilibrium magnetic field and $$\\vec{k}$$ is the wavevector perpendicular to the nonuniformity direction. As ky increases, however, the most unstable eigenmodes are found to be peaked at $$\\vec{k}$$ •$$\\vec{B}$$ ≠0. Additionally, the simulation results indicate that varying m i/m e, the current sheet width, and the guide magnetic field can affect the stability of LHDI. Simulations with the varying mass ratio confirm the lower hybrid frequency and wave number scalings.« less

3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet

DOE PAGES

Wang, Zhenyu; Lin, Yu; Wang, Xueyi; ...

2016-07-07

The eigenmode stability properties of three-dimensional lower-hybrid-drift-instabilities (LHDI) in a Harris current sheet with a small but finite guide magnetic field have been systematically studied by employing the gyrokinetic electron and fully kinetic ion (GeFi) particle-in-cell (PIC) simulation model with a realistic ion-to-electron mass ratio m i/m e. In contrast to the fully kinetic PIC simulation scheme, the fast electron cyclotron motion and plasma oscillations are systematically removed in the GeFi model, and hence one can employ the realistic m i/m e. The GeFi simulations are benchmarked against and show excellent agreement with both the fully kinetic PIC simulation and the analytical eigenmode theory. Our studies indicate that, for small wavenumbers, ky, along the current direction, the most unstable eigenmodes are peaked at the location wheremore » $$\\vec{k}$$• $$\\vec{B}$$ =0, consistent with previous analytical and simulation studies. Here, $$\\vec{B}$$ is the equilibrium magnetic field and $$\\vec{k}$$ is the wavevector perpendicular to the nonuniformity direction. As ky increases, however, the most unstable eigenmodes are found to be peaked at $$\\vec{k}$$ •$$\\vec{B}$$ ≠0. Additionally, the simulation results indicate that varying m i/m e, the current sheet width, and the guide magnetic field can affect the stability of LHDI. Simulations with the varying mass ratio confirm the lower hybrid frequency and wave number scalings.« less

The Impact of Microphysical Schemes on Hurricane Intensity and Track

NASA Technical Reports Server (NTRS)

Tao, Wei-Kuo; Shi, Jainn Jong; Chen, Shuyi S.; Lang, Stephen; Lin, Pay-Liam; Hong, Song-You; Peters-Lidard, Christa; Hou, Arthur

2011-01-01

During the past decade, both research and operational numerical weather prediction models [e.g. the Weather Research and Forecasting Model (WRF)] have started using more complex microphysical schemes originally developed for high-resolution cloud resolving models (CRMs) with 1-2 km or less horizontal resolutions. WRF is a next-generation meso-scale forecast model and assimilation system. It incorporates a modern software framework, advanced dynamics, numerics and data assimilation techniques, a multiple moveable nesting capability, and improved physical packages. WRF can be used for a wide range of applications, from idealized research to operational forecasting, with an emphasis on horizontal grid sizes in the range of 1-10 km. The current WRF includes several different microphysics options. At NASA Goddard, four different cloud microphysics options have been implemented into WRF. The performance of these schemes is compared to those of the other microphysics schemes available in WRF for an Atlantic hurricane case (Katrina). In addition, a brief review of previous modeling studies on the impact of microphysics schemes and processes on the intensity and track of hurricanes is presented and compared against the current Katrina study. In general, all of the studies show that microphysics schemes do not have a major impact on track forecasts but do have more of an effect on the simulated intensity. Also, nearly all of the previous studies found that simulated hurricanes had the strongest deepening or intensification when using only warm rain physics. This is because all of the simulated precipitating hydrometeors are large raindrops that quickly fall out near the eye-wall region, which would hydrostatically produce the lowest pressure. In addition, these studies suggested that intensities become unrealistically strong when evaporative cooling from cloud droplets and melting from ice particles are removed as this results in much weaker downdrafts in the simulated storms. However, there are many differences between the different modeling studies, which are identified and discussed.

Heading control and the effects of display characteristics

NASA Technical Reports Server (NTRS)

Hinz, Stephanie J.; Bennett, C. Thomas

1989-01-01

The present study evaluates whether type of display (dot or wire frame) and direction of movement have an effect on a person's ability to actively maintain a specific heading angle. The questions addressed were: (1) does the magnitude of the heading angle errors differ in the two displays, (2) are some heading angles more difficult to maintain than others, and (3) does the magnitude of some errors differ as a function of display type and direction of movement. Differences between the results of this study and previous research are explained by methodological differences across the studies. Another factor that may be responsible for the difference between previous findings and those presented here is the type of graphics used to display the simulated motion. The physical characteristics of the display or the graphics engines that generate the scene have varied greatly across the studies. Analyses and diagrams are presented showing results of the study and the differences generated from previous studies on this subject.

Simulating trait evolution for cross-cultural comparison.

PubMed

Nunn, Charles L; Arnold, Christian; Matthews, Luke; Borgerhoff Mulder, Monique

2010-12-12

Cross-cultural anthropologists have increasingly used phylogenetic methods to study cultural variation. Because cultural behaviours can be transmitted horizontally among socially defined groups, however, it is important to assess whether phylogeny-based methods--which were developed to study vertically transmitted traits among biological taxa--are appropriate for studying group-level cultural variation. Here, we describe a spatially explicit simulation model that can be used to generate data with known degrees of horizontal donation. We review previous results from this model showing that horizontal transmission increases the type I error rate of phylogenetically independent contrasts in studies of correlated evolution. These conclusions apply to cases in which two traits are transmitted as a pair, but horizontal transmission may be less problematic when traits are unlinked. We also use the simulation model to investigate whether measures of homology (the consistency index and the retention index) can detect horizontal transmission of cultural traits. Higher rates of evolutionary change have a stronger depressive impact on measures of homology than higher rates of horizontal transmission; thus, low consistency or retention indices are not necessarily indicative of 'ethnogenesis'. Collectively, these studies demonstrate the importance of using simulations to assess the validity of methods in cross-cultural research.

Differential activation of brain regions involved with error-feedback and imitation based motor simulation when observing self and an expert's actions in pilots and non-pilots on a complex glider landing task.

PubMed

Callan, Daniel E; Terzibas, Cengiz; Cassel, Daniel B; Callan, Akiko; Kawato, Mitsuo; Sato, Masa-Aki

2013-05-15

In this fMRI study we investigate neural processes related to the action observation network using a complex perceptual-motor task in pilots and non-pilots. The task involved landing a glider (using aileron, elevator, rudder, and dive brake) as close to a target as possible, passively observing a replay of one's own previous trial, passively observing a replay of an expert's trial, and a baseline do nothing condition. The objective of this study is to investigate two types of motor simulation processes used during observation of action: imitation based motor simulation and error-feedback based motor simulation. It has been proposed that the computational neurocircuitry of the cortex is well suited for unsupervised imitation based learning, whereas, the cerebellum is well suited for error-feedback based learning. Consistent with predictions, pilots (to a greater extent than non-pilots) showed significant differential activity when observing an expert landing the glider in brain regions involved with imitation based motor simulation (including premotor cortex PMC, inferior frontal gyrus IFG, anterior insula, parietal cortex, superior temporal gyrus, and middle temporal MT area) than when observing one's own previous trial which showed significant differential activity in the cerebellum (only for pilots) thought to be concerned with error-feedback based motor simulation. While there was some differential brain activity for pilots in regions involved with both Execution and Observation of the flying task (potential Mirror System sites including IFG, PMC, superior parietal lobule) the majority was adjacent to these areas (Observation Only Sites) (predominantly in PMC, IFG, and inferior parietal loblule). These regions showing greater activity for observation than for action may be involved with processes related to motor-based representational transforms that are not necessary when actually carrying out the task. Copyright © 2013 Elsevier Inc. All rights reserved.

Determination of source process and the tsunami simulation of the 2013 Santa Cruz earthquake

NASA Astrophysics Data System (ADS)

Park, S. C.; Lee, J. W.; Park, E.; Kim, S.

2014-12-01

In order to understand the characteristics of large tsunamigenic earthquakes, we analyzed the earthquake source process of the 2013 Santa Cruz earthquake and simulated the following tsunami. We first estimated the fault length of about 200 km using 3-day aftershock distribution and the source duration of about 110 seconds using the duration of high-frequency energy radiation (Hara, 2007). Moment magnitude was estimated to be 8.0 using the formula of Hara (2007). From the results of 200 km of fault length and 110 seconds of source duration, we used the initial value of rupture velocity as 1.8 km/s for teleseismic waveform inversions. Teleseismic body wave inversion was carried out using the inversion package by Kikuchi and Kanamori (1991). Teleseismic P waveform data from 14 stations were used and band-pass filter of 0.005 ~ 1 Hz was applied. Our best-fit solution indicated that the earthquake occurred on the northwesterly striking (strike = 305) and shallowly dipping (dip = 13) fault plane. Focal depth was determined to be 23 km indicating shallow event. Moment magnitude of 7.8 was obtained showing somewhat smaller than the result obtained above and that of previous study (Lay et al., 2013). Large slip area was seen around the hypocenter. Using the slip distribution obtained by teleseismic waveform inversion, we calculated the surface deformations using formulas of Okada (1985) assuming as the initial change of sea water by tsunami. Then tsunami simulation was carred out using Conell Multi-grid Coupled Tsunami Model (COMCOT) code and 1 min-grid topographic data for water depth from the General Bathymetric Chart of the Ocenas (GEBCO). According to the tsunami simulation, most of tsunami waves propagated to the directions of southwest and northeast which are perpendicular to the fault strike. DART buoy data were used to verify our simulation. In the presentation, we will discuss more details on the results of source process and tsunami simulation and compare them with the previous study.

The Role of Copy Number Variation in Susceptibility to Amyotrophic Lateral Sclerosis: Genome-Wide Association Study and Comparison with Published Loci

PubMed Central

Wain, Louise V.; Pedroso, Inti; Landers, John E.; Breen, Gerome; Shaw, Christopher E.; Leigh, P. Nigel; Brown, Robert H.

2009-01-01

Background The genetic contribution to sporadic amyotrophic lateral sclerosis (ALS) has not been fully elucidated. There are increasing efforts to characterise the role of copy number variants (CNVs) in human diseases; two previous studies concluded that CNVs may influence risk of sporadic ALS, with multiple rare CNVs more important than common CNVs. A little-explored issue surrounding genome-wide CNV association studies is that of post-calling filtering and merging of raw CNV calls. We undertook simulations to define filter thresholds and considered optimal ways of merging overlapping CNV calls for association testing, taking into consideration possibly overlapping or nested, but distinct, CNVs and boundary estimation uncertainty. Methodology and Principal Findings In this study we screened Illumina 300K SNP genotyping data from 730 ALS cases and 789 controls for copy number variation. Following quality control filters using thresholds defined by simulation, a total of 11321 CNV calls were made across 575 cases and 621 controls. Using region-based and gene-based association analyses, we identified several loci showing nominally significant association. However, the choice of criteria for combining calls for association testing has an impact on the ranking of the results by their significance. Several loci which were previously reported as being associated with ALS were identified here. However, of another 15 genes previously reported as exhibiting ALS-specific copy number variation, only four exhibited copy number variation in this study. Potentially interesting novel loci, including EEF1D, a translation elongation factor involved in the delivery of aminoacyl tRNAs to the ribosome (a process which has previously been implicated in genetic studies of spinal muscular atrophy) were identified but must be treated with caution due to concerns surrounding genomic location and platform suitability. Conclusions and Significance Interpretation of CNV association findings must take into account the effects of filtering and combining CNV calls when based on early genome-wide genotyping platforms and modest study sizes. PMID:19997636

Dual-energy contrast-enhanced digital mammography (DE-CEDM): optimization on digital subtraction with practical x-ray low/high-energy spectra

NASA Astrophysics Data System (ADS)

Chen, Biao; Jing, Zhenxue; Smith, Andrew P.; Parikh, Samir; Parisky, Yuri

2006-03-01

Dual-energy contrast enhanced digital mammography (DE-CEDM), which is based upon the digital subtraction of low/high-energy image pairs acquired before/after the administration of contrast agents, may provide physicians physiologic and morphologic information of breast lesions and help characterize their probability of malignancy. This paper proposes to use only one pair of post-contrast low / high-energy images to obtain digitally subtracted dual-energy contrast-enhanced images with an optimal weighting factor deduced from simulated characteristics of the imaging chain. Based upon our previous CEDM framework, quantitative characteristics of the materials and imaging components in the x-ray imaging chain, including x-ray tube (tungsten) spectrum, filters, breast tissues / lesions, contrast agents (non-ionized iodine solution), and selenium detector, were systemically modeled. Using the base-material (polyethylene-PMMA) decomposition method based on entrance low / high-energy x-ray spectra and breast thickness, the optimal weighting factor was calculated to cancel the contrast between fatty and glandular tissues while enhancing the contrast of iodized lesions. By contrast, previous work determined the optimal weighting factor through either a calibration step or through acquisition of a pre-contrast low/high-energy image pair. Computer simulations were conducted to determine weighting factors, lesions' contrast signal values, and dose levels as functions of x-ray techniques and breast thicknesses. Phantom and clinical feasibility studies were performed on a modified Selenia full field digital mammography system to verify the proposed method and computer-simulated results. The resultant conclusions from the computer simulations and phantom/clinical feasibility studies will be used in the upcoming clinical study.

Simulation-Based Rule Generation Considering Readability

PubMed Central

Yahagi, H.; Shimizu, S.; Ogata, T.; Hara, T.; Ota, J.

2015-01-01

Rule generation method is proposed for an aircraft control problem in an airport. Designing appropriate rules for motion coordination of taxiing aircraft in the airport is important, which is conducted by ground control. However, previous studies did not consider readability of rules, which is important because it should be operated and maintained by humans. Therefore, in this study, using the indicator of readability, we propose a method of rule generation based on parallel algorithm discovery and orchestration (PADO). By applying our proposed method to the aircraft control problem, the proposed algorithm can generate more readable and more robust rules and is found to be superior to previous methods. PMID:27347501

A Permeability Study of O2 and the Trace Amine p-Tyramine through Model Phosphatidylcholine Bilayers

PubMed Central

Holland, Bryan W.; Berry, Mark D.; Gray, C. G.; Tomberli, Bruno

2015-01-01

We study here the permeability of the hydrophobic O2 molecule through a model DPPC bilayer at 323K and 350K, and of the trace amine p-tyramine through PC bilayers at 310K. The tyramine results are compared to previous experimental work at 298K. Nonequilibrium work methods were used in conjunction to simultaneously obtain both the potential of mean force (PMF) and the position dependent transmembrane diffusion coefficient, D(z), from the simulations. These in turn were used to calculate the permeability coefficient, P, through the inhomogeneous solubility-diffusion model. The results for O2 are consistent with previous simulations, and agree with experimentally measured P values for PC bilayers. A temperature dependence in the permeability of O2 through DPPC was obtained, with P decreasing at higher temperatures. Two relevant species of p-tyramine were simulated, from which the PMF and D(z) were calculated. The charged species had a large energetic barrier to crossing the bilayer of ~ 21 kcal/mol, while the uncharged, deprotonated species had a much lower barrier of ~ 7 kcal/mol. The effective in silico permeability for p-tyramine was calculated by applying three approximations, all of which gave nearly identical results (presented here as a function of the pKa). As the permeability value calculated from simulation was highly dependent on the pKa of the amine group, a further pKa study was performed that also varied the fraction of the uncharged and zwitterionic p-tyramine species. Using the experimental P value together with the simulated results, we were able to label the phenolic group as responsible for the pKa1 and the amine for the pKa2, that together represent all of the experimentally measured pKa values for p-tyramine. This agrees with older experimental results, in contrast to more recent work that has suggested there is a strong ambiguity in the pKa values. PMID:26086933

A Very Large Eddy Simulation of the Nonreacting Flow in a Single-Element Lean Direct Injection Combustor Using PRNS with a Nonlinear Subscale Model

NASA Technical Reports Server (NTRS)

Shih, Tsan-Hsing; Liu, Nan-Suey

2009-01-01

Very large eddy simulation (VLES) of the nonreacting turbulent flow in a single-element lean direct injection (LDI) combustor has been successfully performed via the approach known as the partially resolved numerical simulation (PRNS/VLES) using a nonlinear subscale model. The grid is the same as the one used in a previous RANS simulation, which was considered as too coarse for a traditional LES simulation. In this study, we first carry out a steady RANS simulation to provide the initial flow field for the subsequent PRNS/VLES simulation. We have also carried out an unsteady RANS (URANS) simulation for the purpose of comparing its results with that of the PRNS/VLES simulation. In addition, these calculated results are compared with the experimental data. The present effort has demonstrated that the PRNS/VLES approach, while using a RANS type of grid, is able to reveal the dynamically important, unsteady large-scale turbulent structures occurring in the flow field of a single-element LDI combustor. The interactions of these coherent structures play a critical role in the dispersion of the fuel, hence, the mixing between the fuel and the oxidizer in a combustor.

Visual-spatial ability is more important than motivation for novices in surgical simulator training: a preliminary study

PubMed Central

Hedman, Leif; Felländer-Tsai, Li

2016-01-01

Objectives To investigate whether surgical simulation performance and previous video gaming experience would correlate with higher motivation to further train a specific simulator task and whether visual-spatial ability would rank higher in importance to surgical performance than the above. It was also examined whether or not motivation would correlate with a preference to choose a surgical specialty in the future and if simulator training would increase the interest in choosing that same work field. Methods Motivation and general interest in surgery was measured pre- and post-training in 30 medical students at Karolinska Institutet who were tested in a laparoscopic surgical simulator in parallel with measurement of visual-spatial ability and self-estimated video gaming experience.  Correlations between simulator performance metrics, visual-spatial ability and motivation were statistically analyzed using regression analysis. Results A good result in the first simulator trial correlated with higher self-determination index (r =-0.46, p=0.05) in male students. Visual-spatial ability was the most important underlying factor followed by intrinsic motivation score and finally video gaming experience (p=0.02, p=0.05, p=0.11) regarding simulator performance in male students. Simulator training increased interest in surgery when studying all subjects (p=0.01), male subjects (p=0.02) as well as subjects with low video gaming experience (p=0.02). Conclusions This preliminary study highlights individual differences regarding the effect of simulator training on motivation that can be taken into account when designing simulator training curricula, although the sample size is quite small and findings should be interpreted carefully.  PMID:26897701

Neuronvisio: A Graphical User Interface with 3D Capabilities for NEURON.

PubMed

Mattioni, Michele; Cohen, Uri; Le Novère, Nicolas

2012-01-01

The NEURON simulation environment is a commonly used tool to perform electrical simulation of neurons and neuronal networks. The NEURON User Interface, based on the now discontinued InterViews library, provides some limited facilities to explore models and to plot their simulation results. Other limitations include the inability to generate a three-dimensional visualization, no standard mean to save the results of simulations, or to store the model geometry within the results. Neuronvisio (http://neuronvisio.org) aims to address these deficiencies through a set of well designed python APIs and provides an improved UI, allowing users to explore and interact with the model. Neuronvisio also facilitates access to previously published models, allowing users to browse, download, and locally run NEURON models stored in ModelDB. Neuronvisio uses the matplotlib library to plot simulation results and uses the HDF standard format to store simulation results. Neuronvisio can be viewed as an extension of NEURON, facilitating typical user workflows such as model browsing, selection, download, compilation, and simulation. The 3D viewer simplifies the exploration of complex model structure, while matplotlib permits the plotting of high-quality graphs. The newly introduced ability of saving numerical results allows users to perform additional analysis on their previous simulations.

Comparative effectiveness of instructional design features in simulation-based education: systematic review and meta-analysis.

PubMed

Cook, David A; Hamstra, Stanley J; Brydges, Ryan; Zendejas, Benjamin; Szostek, Jason H; Wang, Amy T; Erwin, Patricia J; Hatala, Rose

2013-01-01

Although technology-enhanced simulation is increasingly used in health professions education, features of effective simulation-based instructional design remain uncertain. Evaluate the effectiveness of instructional design features through a systematic review of studies comparing different simulation-based interventions. We systematically searched MEDLINE, EMBASE, CINAHL, ERIC, PsycINFO, Scopus, key journals, and previous review bibliographies through May 2011. We included original research studies that compared one simulation intervention with another and involved health professions learners. Working in duplicate, we evaluated study quality and abstracted information on learners, outcomes, and instructional design features. We pooled results using random effects meta-analysis. From a pool of 10,903 articles we identified 289 eligible studies enrolling 18,971 trainees, including 208 randomized trials. Inconsistency was usually large (I2 > 50%). For skills outcomes, pooled effect sizes (positive numbers favoring the instructional design feature) were 0.68 for range of difficulty (20 studies; p < 0.001), 0.68 for repetitive practice (7 studies; p = 0.06), 0.66 for distributed practice (6 studies; p = 0.03), 0.65 for interactivity (89 studies; p < 0.001), 0.62 for multiple learning strategies (70 studies; p < 0.001), 0.52 for individualized learning (59 studies; p < 0.001), 0.45 for mastery learning (3 studies; p = 0.57), 0.44 for feedback (80 studies; p < 0.001), 0.34 for longer time (23 studies; p = 0.005), 0.20 for clinical variation (16 studies; p = 0.24), and -0.22 for group training (8 studies; p = 0.09). These results confirm quantitatively the effectiveness of several instructional design features in simulation-based education.

Investigation on aerodynamic characteristics of baseline-II E-2 blended wing-body aircraft with canard via computational simulation

NASA Astrophysics Data System (ADS)

Nasir, Rizal E. M.; Ali, Zurriati; Kuntjoro, Wahyu; Wisnoe, Wirachman

2012-06-01

Previous wind tunnel test has proven the improved aerodynamic charasteristics of Baseline-II E-2 Blended Wing-Body (BWB) aircraft studied in Universiti Teknologi Mara. The E-2 is a version of Baseline-II BWB with modified outer wing and larger canard, solely-designed to gain favourable longitudinal static stability during flight. This paper highlights some results from current investigation on the said aircraft via computational fluid dynamics simulation as a mean to validate the wind tunnel test results. The simulation is conducted based on standard one-equation turbulence, Spalart-Allmaras model with polyhedral mesh. The ambience of the flight simulation is made based on similar ambience of wind tunnel test. The simulation shows lift, drag and moment results to be near the values found in wind tunnel test but only within angles of attack where the lift change is linear. Beyond the linear region, clear differences between computational simulation and wind tunnel test results are observed. It is recommended that different type of mathematical model be used to simulate flight conditions beyond linear lift region.

Assessment of percutaneous renal access skills during Urology Objective Structured Clinical Examinations (OSCE)

PubMed Central

Noureldin, Yasser A.; Elkoushy, Mohamed A.; Andonian, Sero

2015-01-01

Introduction: The first objective was to assess percutaneous renal access (PCA) skills of urology postgraduate trainees (PGTs) during the Objective Structured Clinical Examinations (OSCEs). The second objective was to determine whether previous experience with percutaneous nephrolithotomy (PCNL) improved performance. Methods: After obtaining ethics approval, we recruited PGTs from two urology programs in Quebec between postgraduate years (PGY-3 to PGY-5). Each trainee was asked to answer a short questionnaire regarding previous experience in endourologic procedures. After a 3-minute orientation on the PERC Mentor simulator (Simbionix, Cleveland, OH), each trainee was asked to perform task 4, where they had to correctly access all of the renal calyces and pop the balloons in a normal left kidney model. We collected and analyzed data from the questionnaire and the performance report generated by the simulator. Results: In total, 13 PGTs participated in this study. PGTs had performed a median of 200 (range: 50–1000) cystoscopies, 50 (range: 10–125) TURBTs, 30 (range: 0–100) TURPs, 5 (range: 0–50) laser prostatectomies, and 50 (range: 2–125) ureteroscopies prior to this OSCE. PGTs with previous PCNL experience (8/13) had performed a mean of 18.6 ± 6.3 PCNLs. PGTs with previous PCNL experience performed significantly better in terms of shorter fluoroscopy time (10 ± 1.5 vs. 5.1 ± 0.7 min; p = 0.04), fewer attempts required for successful puncture of the pelvi-calyceal system (PCS) (21 ± 2.3 vs. 13 ± 1.8; p = 0.02), and had significantly lower complications in terms of fewer infundibular injury (7.4 ± 1.5 vs. 2 ± 0.4; p = 0.004) and fewer PCS perforations (11 ± 1.7 vs. 4.5 ± 1.2; p = 0.01). Conclusion: It is feasible to use the PERC Mentor simulator during OSCEs to assess PCA skills of urology PGTs. PGTs who had previous PCNL experience performed significantly better with fewer complications. PMID:25844094

Using a Commercial Simulator to Teach Sorption Separations

ERIC Educational Resources Information Center

Wankat, Phillip C.

2006-01-01

The commercial simulator Aspen Chromatography was used in the computer laboratory of a dual-level course. The lab assignments used a cookbook approach to teach basic simulator operation and open-ended exploration to understand adsorption. The students learned theory better than in previous years despite having less lecture time. Students agreed…

14 CFR 60.17 - Previously qualified FSTDs.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 14 Aeronautics and Space 2 2014-01-01 2014-01-01 false Previously qualified FSTDs. 60.17 Section 60.17 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) AIRMEN FLIGHT SIMULATION TRAINING DEVICE INITIAL AND CONTINUING QUALIFICATION AND USE § 60.17 Previously...

14 CFR 60.17 - Previously qualified FSTDs.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 14 Aeronautics and Space 2 2012-01-01 2012-01-01 false Previously qualified FSTDs. 60.17 Section 60.17 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) AIRMEN FLIGHT SIMULATION TRAINING DEVICE INITIAL AND CONTINUING QUALIFICATION AND USE § 60.17 Previously...

14 CFR 60.17 - Previously qualified FSTDs.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 14 Aeronautics and Space 2 2011-01-01 2011-01-01 false Previously qualified FSTDs. 60.17 Section 60.17 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) AIRMEN FLIGHT SIMULATION TRAINING DEVICE INITIAL AND CONTINUING QUALIFICATION AND USE § 60.17 Previously...

14 CFR 60.17 - Previously qualified FSTDs.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 14 Aeronautics and Space 2 2013-01-01 2013-01-01 false Previously qualified FSTDs. 60.17 Section 60.17 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) AIRMEN FLIGHT SIMULATION TRAINING DEVICE INITIAL AND CONTINUING QUALIFICATION AND USE § 60.17 Previously...

14 CFR 60.17 - Previously qualified FSTDs.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false Previously qualified FSTDs. 60.17 Section 60.17 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) AIRMEN FLIGHT SIMULATION TRAINING DEVICE INITIAL AND CONTINUING QUALIFICATION AND USE § 60.17 Previously...

Radiation hydrodynamics modeling of the highest compression inertial confinement fusion ignition experiment from the National Ignition Campaign

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

Clark, D. S.; Marinak, M. M.; Weber, C. R.

2015-02-15

The recently completed National Ignition Campaign (NIC) on the National Ignition Facility (NIF) showed significant discrepancies between post-shot simulations of implosion performance and experimentally measured performance, particularly in thermonuclear yield. This discrepancy between simulation and observation persisted despite concerted efforts to include all of the known sources of performance degradation within a reasonable two-dimensional (2-D), and even three-dimensional (3-D), simulation model, e.g., using measured surface imperfections and radiation drives adjusted to reproduce observed implosion trajectories [Clark et al., Phys. Plasmas 20, 056318 (2013)]. Since the completion of the NIC, several effects have been identified that could explain these discrepancies andmore » that were omitted in previous simulations. In particular, there is now clear evidence for larger than anticipated long-wavelength radiation drive asymmetries and a larger than expected perturbation seeded by the capsule support tent. This paper describes an updated suite of one-dimensional (1-D), 2-D, and 3-D simulations that include the current best understanding of these effects identified since the NIC, as applied to a specific NIC shot. The relative importance of each effect on the experimental observables is compared. In combination, these effects reduce the simulated-to-measured yield ratio from 125:1 in 1-D to 1.5:1 in 3-D, as compared to 15:1 in the best 2-D simulations published previously. While the agreement with the experimental data remains imperfect, the comparison to the data is significantly improved and suggests that the largest sources for the previous discrepancies between simulation and experiment are now being included.« less

Optimal Spatial Design of Capacity and Quantity of Rainwater Catchment Systems for Urban Flood Mitigation

NASA Astrophysics Data System (ADS)

Huang, C.; Hsu, N.

2013-12-01

This study imports Low-Impact Development (LID) technology of rainwater catchment systems into a Storm-Water runoff Management Model (SWMM) to design the spatial capacity and quantity of rain barrel for urban flood mitigation. This study proposes a simulation-optimization model for effectively searching the optimal design. In simulation method, we design a series of regular spatial distributions of capacity and quantity of rainwater catchment facilities, and thus the reduced flooding circumstances using a variety of design forms could be simulated by SWMM. Moreover, we further calculate the net benefit that is equal to subtract facility cost from decreasing inundation loss and the best solution of simulation method would be the initial searching solution of the optimization model. In optimizing method, first we apply the outcome of simulation method and Back-Propagation Neural Network (BPNN) for developing a water level simulation model of urban drainage system in order to replace SWMM which the operating is based on a graphical user interface and is hard to combine with optimization model and method. After that we embed the BPNN-based simulation model into the developed optimization model which the objective function is minimizing the negative net benefit. Finally, we establish a tabu search-based algorithm to optimize the planning solution. This study applies the developed method in Zhonghe Dist., Taiwan. Results showed that application of tabu search and BPNN-based simulation model into the optimization model not only can find better solutions than simulation method in 12.75%, but also can resolve the limitations of previous studies. Furthermore, the optimized spatial rain barrel design can reduce 72% of inundation loss according to historical flood events.

Effectiveness of early cardiology undergraduate learning using simulation on retention, application of learning and level of confidence during clinical clerkships

PubMed Central

Lin, Weiqin; Lee, Glenn K; Loh, Joshua P; Tay, Edgar L; Sia, Winnie; Lau, Tang-Ching; Hooi, Shing-Chuan; Poh, Kian-Keong

2015-01-01

INTRODUCTION This study aimed to assess the effectiveness of the use of a cardiopulmonary patient simulator in the teaching of second-year medical students. Effectiveness was measured in terms of the extent of knowledge retention and students’ ability to apply the skills learned in subsequent real-life patient contact. METHODS In this study, ten third-year medical students who had previously undergone simulator training as part of their second-year curriculum underwent an objective structured clinical examination (OSCE) and a multiple-choice question (MCQ) test to assess their ability to apply the knowledge gained during the simulator training when dealing with real patients. The performance of this group of students was compared with that of a group of ten fourth-year medical students who did not undergo simulation training. RESULTS Although the third-year medical students performed well in the OSCE, they were outperformed by the group of fourth-year medical students, who had an extra year of clinical exposure. The MCQ scores of the two groups of students were similar. Post-simulation training survey revealed that students were generally in favour of incorporating cardiopulmonary simulator training in the preclinical curriculum. CONCLUSION Cardiopulmonary simulator training is a useful tool for the education of preclinical medical students. It aids the translation of preclinical knowledge into real-life clinical skills. PMID:25715855

Molecular Dynamics Simulations to Determine the Structure and Dynamics of Hepatitis B Virus Capsid Bound to a Novel Anti-viral Drug.

PubMed

Watanabe, Go; Sato, Shunsuke; Iwadate, Mitsuo; Umeyama, Hideaki; Hayakawa, Michiyo; Murakami, Yoshiki; Yoneda, Shigetaka

2016-01-01

Hepatitis B virus (HBV) chronically infects millions of people worldwide and is a major cause of serious liver diseases, including liver cirrhosis and liver cancer. In our previous study, in silico screening was used to isolate new anti-viral compounds predicted to bind to the HBV capsid. Four of the isolated compounds have been reported to suppress the cellular multiplication of HBV experimentally. In the present study, molecular dynamics simulations of the HBV capsid were performed under rotational symmetry boundary conditions, to clarify how the structure and dynamics of the capsid are affected at the atomic level by the binding of one of the isolated compounds, C13. Two simulations of the free HBV capsid, two further simulations of the capsid-C13 complex, and one simulation of the capsid-AT-130 complex were performed. For statistical confidence, each set of simulations was repeated by five times, changing the simulation conditions. C13 continued to bind at the predicted binding site during the simulations, supporting the hypothesis that C13 is a capsid-binding compound. The structure and dynamics of the HBV capsid were greatly influenced by the binding and release of C13, and these effects were essentially identical to those seen for AT-130, indicating that C13 likely inhibits the function of the HBV capsid.

Simulating Category Learning and Set Shifting Deficits in Patients Weight-Restored from Anorexia Nervosa

DTIC Science & Technology

2014-01-01

Neuropsychology, in press     Simulating Category Learning and Set Shifting Deficits in Patients Weight-Restored from Anorexia Nervosa J...University   Objective: To examine set shifting in a group of women previously diagnosed with anorexia nervosa (AN) who are now weight-restored (AN-WR...participant fails to switch to the new rule but rather persists with the previously correct rule. Adult patients with Anorexia Nervosa (AN) are often impaired

Consistent Yokoya-Chen Approximation to Beamstrahlung(LCC-0010)

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

Peskin, M

2004-04-22

I reconsider the Yokoya-Chen approximate evolution equation for beamstrahlung and modify it slightly to generate simple, consistent analytical approximations for the electron and photon energy spectra. I compare these approximations to previous ones, and to simulation data.I reconsider the Yokoya-Chen approximate evolution equation for beamstrahlung and modify it slightly to generate simple, consistent analytical approximations for the electron and photon energy spectra. I compare these approximations to previous ones, and to simulation data.

Flight simulator fidelity assessment in a rotorcraft lateral translation maneuver

NASA Technical Reports Server (NTRS)

Hess, R. A.; Malsbury, T.; Atencio, A., Jr.

1992-01-01

A model-based methodology for assessing flight simulator fidelity in closed-loop fashion is exercised in analyzing a rotorcraft low-altitude maneuver for which flight test and simulation results were available. The addition of a handling qualities sensitivity function to a previously developed model-based assessment criteria allows an analytical comparison of both performance and handling qualities between simulation and flight test. Model predictions regarding the existence of simulator fidelity problems are corroborated by experiment. The modeling approach is used to assess analytically the effects of modifying simulator characteristics on simulator fidelity.

Exploring novel objective functions for simulating muscle coactivation in the neck.

PubMed

Mortensen, J; Trkov, M; Merryweather, A

2018-04-11

Musculoskeletal modeling allows for analysis of individual muscles in various situations. However, current techniques to realistically simulate muscle response when significant amounts of intentional coactivation is required are inadequate. This would include stiffening the neck or spine through muscle coactivation in preparation for perturbations or impacts. Muscle coactivation has been modeled previously in the neck and spine using optimization techniques that seek to maximize the joint stiffness by maximizing total muscle activation or muscle force. These approaches have not sought to replicate human response, but rather to explore the possible effects of active muscle. Coactivation remains a challenging feature to include in musculoskeletal models, and may be improved by extracting optimization objective functions from experimental data. However, the components of such an objective function must be known before fitting to experimental data. This study explores the effect of components in several objective functions, in order to recommend components to be used for fitting to experimental data. Four novel approaches to modeling coactivation through optimization techniques are presented, two of which produce greater levels of stiffness than previous techniques. Simulations were performed using OpenSim and MATLAB cooperatively. Results show that maximizing the moment generated by a particular muscle appears analogous to maximizing joint stiffness. The approach of optimizing for maximum moment generated by individual muscles may be a good candidate for developing objective functions that accurately simulate muscle coactivation in complex joints. This new approach will be the focus of future studies with human subjects. Copyright © 2018 Elsevier Ltd. All rights reserved.

Convergence of methods for coupling of microscopic and mesoscopic reaction-diffusion simulations

NASA Astrophysics Data System (ADS)

Flegg, Mark B.; Hellander, Stefan; Erban, Radek

2015-05-01

In this paper, three multiscale methods for coupling of mesoscopic (compartment-based) and microscopic (molecular-based) stochastic reaction-diffusion simulations are investigated. Two of the three methods that will be discussed in detail have been previously reported in the literature; the two-regime method (TRM) and the compartment-placement method (CPM). The third method that is introduced and analysed in this paper is called the ghost cell method (GCM), since it works by constructing a "ghost cell" in which molecules can disappear and jump into the compartment-based simulation. Presented is a comparison of sources of error. The convergent properties of this error are studied as the time step Δt (for updating the molecular-based part of the model) approaches zero. It is found that the error behaviour depends on another fundamental computational parameter h, the compartment size in the mesoscopic part of the model. Two important limiting cases, which appear in applications, are considered: Δt → 0 and h is fixed; Δt → 0 and h → 0 such that √{ Δt } / h is fixed. The error for previously developed approaches (the TRM and CPM) converges to zero only in the limiting case (ii), but not in case (i). It is shown that the error of the GCM converges in the limiting case (i). Thus the GCM is superior to previous coupling techniques if the mesoscopic description is much coarser than the microscopic part of the model.

Modelling of thermal stresses in bearing steel structure generated by electrical current impulses

NASA Astrophysics Data System (ADS)

Birjukovs, M.; Jakovics, A.; Holweger, W.

2018-05-01

This work is the study of one particular candidate for white etching crack (WEC) initiation mechanism in wind turbine gearbox bearings: discharge current impulses flowing through bearing steel with associated thermal stresses and material fatigue. Using data/results from previously published works, the authors develop a series of models that are utilized to simulate these processes under various conditions/local microstructure configurations, as well as to verify the results of the previous numerical studies. Presented models show that the resulting stresses are several orders of magnitude below the fatigue limit/yield strength for the parameters used herein. Results and analysis of models provided by Scepanskis, M. et al. also indicate that certain effects predicted in their previous work resulted from a physically unfounded assumption about material thermodynamic properties and numerical model implementation issues.

A study of application of remote sensing to river forecasting. Volume 1: Executive summary

NASA Technical Reports Server (NTRS)

1975-01-01

A project is described whose goal was to define, implement and evaluate a pilot demonstration test to show the practicability of applying remotely sensed data to operational river forecasting in gaged or previously ungaged watersheds. A secondary objective was to provide NASA with documentation describing the computer programs that comprise the streamflow forecasting simulation model used. A computer-based simulation model was adapted to a streamflow forecasting application and implemented in an IBM System/360 Model 44 computer, operating in a dedicated mode, with operator interactive control through a Model 2250 keyboard/graphic CRT terminal. The test site whose hydrologic behavior was simulated is a small basin (365 square kilometers) designated Town Creek near Geraldine, Alabama.

Modeling the Gulf Stream System: How Far from Reality?

NASA Technical Reports Server (NTRS)

Choa, Yi; Gangopadhyay, Avijit; Bryan, Frank O.; Holland, William R.

1996-01-01

Analyses of a primitive equation ocean model simulation of the Atlantic Ocean circulation at 1/6 deg horizontal resolution are presented with a focus on the Gulf Stream region. Among many successful features of this simulation, this letter describes the Gulf Stream separation from the coast of North America near Cape Hatteras, meandering of the Gulf Stream between Cape Hatteras and the Grand Banks, and the vertical structure of temperature and velocity associated with the Gulf Stream. These results demonstrate significant improvement in modeling the Gulf Stream system using basin- to global scale ocean general circulation models. Possible reasons responsible for the realistic Gulf Stream simulation are discussed, contrasting the major differences between the present model configuration and those of previous eddy resolving studies.

Simulating X-ray bursts with a radiation hydrodynamics code

NASA Astrophysics Data System (ADS)

Seong, Gwangeon; Kwak, Kyujin

2018-04-01

Previous simulations of X-ray bursts (XRBs), for example, those performed by MESA (Modules for Experiments in Stellar Astrophysics) could not address the dynamical effects of strong radiation, which are important to explain the photospheric radius expansion (PRE) phenomena seen in many XRBs. In order to study the effects of strong radiation, we propose to use SNEC (the SuperNova Explosion Code), a 1D Lagrangian open source code that is designed to solve hydrodynamics and equilibrium-diffusion radiation transport together. Because SNEC is able to control modules of radiation-hydrodynamics for properly mapped inputs, radiation-dominant pressure occurring in PRE XRBs can be handled. Here we present simulation models for PRE XRBs by applying SNEC together with MESA.

Verification of sub-grid filtered drag models for gas-particle fluidized beds with immersed cylinder arrays

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

Sarkar, Avik; Sun, Xin; Sundaresan, Sankaran

2014-04-23

The accuracy of coarse-grid multiphase CFD simulations of fluidized beds may be improved via the inclusion of filtered constitutive models. In our previous study (Sarkar et al., Chem. Eng. Sci., 104, 399-412), we developed such a set of filtered drag relationships for beds with immersed arrays of cooling tubes. Verification of these filtered drag models is addressed in this work. Predictions from coarse-grid simulations with the sub-grid filtered corrections are compared against accurate, highly-resolved simulations of full-scale turbulent and bubbling fluidized beds. The filtered drag models offer a computationally efficient yet accurate alternative for obtaining macroscopic predictions, but the spatialmore » resolution of meso-scale clustering heterogeneities is sacrificed.« less

Improving Dental Experiences by Using Virtual Reality Distraction: A Simulation Study

PubMed Central

Tanja-Dijkstra, Karin; Pahl, Sabine; P. White, Mathew; Andrade, Jackie; Qian, Cheng; Bruce, Malcolm; May, Jon; Moles, David R.

2014-01-01

Dental anxiety creates significant problems for both patients and the dental profession. Some distraction interventions are already used by healthcare professionals to help patients cope with unpleasant procedures. The present study is novel because it a) builds on evidence that natural scenery is beneficial for patients, and b) uses a Virtual Reality (VR) representation of nature to distract participants. Extending previous work that has investigated pain and anxiety during treatment, c) we also consider the longer term effects in terms of more positive memories of the treatment, building on a cognitive theory of memory (Elaborated Intrusions). Participants (n = 69) took part in a simulated dental experience and were randomly assigned to one of three VR conditions (active vs. passive vs. control). In addition, participants were distinguished into high and low dentally anxious according to a median split resulting in a 3×2 between-subjects design. VR distraction in a simulated dental context affected memories a week later. The VR distraction had effects not only on concurrent experiences, such as perceived control, but longitudinally upon the vividness of memories after the dental experience had ended. Participants with higher dental anxiety (for whom the dental procedures were presumably more aversive) showed a greater reduction in memory vividness than lower dental-anxiety participants. This study thus suggests that VR distractions can be considered as a relevant intervention for cycles of care in which people’s previous experiences affect their behaviour for future events. PMID:24621518

X-ray microanalysis of porous materials using Monte Carlo simulations.

PubMed

Poirier, Dominique; Gauvin, Raynald

2011-01-01

Quantitative X-ray microanalysis models, such as ZAF or φ(ρz) methods, are normally based on solid, flat-polished specimens. This limits their use in various domains where porous materials are studied, such as powder metallurgy, catalysts, foams, etc. Previous experimental studies have shown that an increase in porosity leads to a deficit in X-ray emission for various materials, such as graphite, Cr(2) O(3) , CuO, ZnS (Ichinokawa et al., '69), Al(2) O(3) , and Ag (Lakis et al., '92). However, the mechanisms responsible for this decrease are unclear. The porosity by itself does not explain the loss in intensity, other mechanisms have therefore been proposed, such as extra energy loss by the diffusion of electrons by surface plasmons generated at the pores-solid interfaces, surface roughness, extra charging at the pores-solid interface, or carbon diffusion in the pores. However, the exact mechanism is still unclear. In order to better understand the effects of porosity on quantitative microanalysis, a new approach using Monte Carlo simulations was developed by Gauvin (2005) using a constant pore size. In this new study, the X-ray emissions model was modified to include a random log normal distribution of pores size in the simulated materials. This article presents, after a literature review of the previous works performed about X-ray microanalysis of porous materials, some of the results obtained with Gauvin's modified model. They are then compared with experimental results. Copyright © 2011 Wiley Periodicals, Inc.

Improving dental experiences by using virtual reality distraction: a simulation study.

PubMed

Tanja-Dijkstra, Karin; Pahl, Sabine; White, Mathew P; Andrade, Jackie; Qian, Cheng; Bruce, Malcolm; May, Jon; Moles, David R

2014-01-01

Dental anxiety creates significant problems for both patients and the dental profession. Some distraction interventions are already used by healthcare professionals to help patients cope with unpleasant procedures. The present study is novel because it a) builds on evidence that natural scenery is beneficial for patients, and b) uses a Virtual Reality (VR) representation of nature to distract participants. Extending previous work that has investigated pain and anxiety during treatment, c) we also consider the longer term effects in terms of more positive memories of the treatment, building on a cognitive theory of memory (Elaborated Intrusions). Participants (n = 69) took part in a simulated dental experience and were randomly assigned to one of three VR conditions (active vs. passive vs. control). In addition, participants were distinguished into high and low dentally anxious according to a median split resulting in a 3×2 between-subjects design. VR distraction in a simulated dental context affected memories a week later. The VR distraction had effects not only on concurrent experiences, such as perceived control, but longitudinally upon the vividness of memories after the dental experience had ended. Participants with higher dental anxiety (for whom the dental procedures were presumably more aversive) showed a greater reduction in memory vividness than lower dental-anxiety participants. This study thus suggests that VR distractions can be considered as a relevant intervention for cycles of care in which people's previous experiences affect their behaviour for future events.

Evaluating the Sensitivity of Agricultural Model Performance to Different Climate Inputs: Supplemental Material

NASA Technical Reports Server (NTRS)

Glotter, Michael J.; Ruane, Alex C.; Moyer, Elisabeth J.; Elliott, Joshua W.

2015-01-01

Projections of future food production necessarily rely on models, which must themselves be validated through historical assessments comparing modeled and observed yields. Reliable historical validation requires both accurate agricultural models and accurate climate inputs. Problems with either may compromise the validation exercise. Previous studies have compared the effects of different climate inputs on agricultural projections but either incompletely or without a ground truth of observed yields that would allow distinguishing errors due to climate inputs from those intrinsic to the crop model. This study is a systematic evaluation of the reliability of a widely used crop model for simulating U.S. maize yields when driven by multiple observational data products. The parallelized Decision Support System for Agrotechnology Transfer (pDSSAT) is driven with climate inputs from multiple sources reanalysis, reanalysis that is bias corrected with observed climate, and a control dataset and compared with observed historical yields. The simulations show that model output is more accurate when driven by any observation-based precipitation product than when driven by non-bias-corrected reanalysis. The simulations also suggest, in contrast to previous studies, that biased precipitation distribution is significant for yields only in arid regions. Some issues persist for all choices of climate inputs: crop yields appear to be oversensitive to precipitation fluctuations but under sensitive to floods and heat waves. These results suggest that the most important issue for agricultural projections may be not climate inputs but structural limitations in the crop models themselves.

Evaluating the sensitivity of agricultural model performance to different climate inputs

PubMed Central

Glotter, Michael J.; Moyer, Elisabeth J.; Ruane, Alex C.; Elliott, Joshua W.

2017-01-01

Projections of future food production necessarily rely on models, which must themselves be validated through historical assessments comparing modeled to observed yields. Reliable historical validation requires both accurate agricultural models and accurate climate inputs. Problems with either may compromise the validation exercise. Previous studies have compared the effects of different climate inputs on agricultural projections, but either incompletely or without a ground truth of observed yields that would allow distinguishing errors due to climate inputs from those intrinsic to the crop model. This study is a systematic evaluation of the reliability of a widely-used crop model for simulating U.S. maize yields when driven by multiple observational data products. The parallelized Decision Support System for Agrotechnology Transfer (pDSSAT) is driven with climate inputs from multiple sources – reanalysis, reanalysis bias-corrected with observed climate, and a control dataset – and compared to observed historical yields. The simulations show that model output is more accurate when driven by any observation-based precipitation product than when driven by un-bias-corrected reanalysis. The simulations also suggest, in contrast to previous studies, that biased precipitation distribution is significant for yields only in arid regions. However, some issues persist for all choices of climate inputs: crop yields appear oversensitive to precipitation fluctuations but undersensitive to floods and heat waves. These results suggest that the most important issue for agricultural projections may be not climate inputs but structural limitations in the crop models themselves. PMID:29097985

Measuring hemoglobin amount and oxygen saturation of skin with advancing age

NASA Astrophysics Data System (ADS)

Watanabe, Shumpei; Yamamoto, Satoshi; Yamauchi, Midori; Tsumura, Norimichi; Ogawa-Ochiai, Keiko; Akiba, Tetsuo

2012-03-01

We measured the oxygen saturation of skin at various ages using our previously proposed method that can rapidly simulate skin spectral reflectance with high accuracy. Oxygen saturation is commonly measured by a pulse oximeter to evaluate oxygen delivery for monitoring the functions of heart and lungs at a specific time. On the other hand, oxygen saturation of skin is expected to assess peripheral conditions. Our previously proposed method, the optical path-length matrix method (OPLM), is based on a Monte Carlo for multi-layered media (MCML), but can simulate skin spectral reflectance 27,000 times faster than MCML. In this study, we implemented an iterative simulation of OPLM with a nonlinear optimization technique such that this method can also be used for estimating hemoglobin concentration and oxygen saturation from the measured skin spectral reflectance. In the experiments, the skin reflectance spectra of 72 outpatients aged between 20 and 86 years were measured by a spectrophotometer. Three points were measured for each subject: the forearm, the thenar eminence, and the intermediate phalanx. The result showed that the oxygen saturation of skin remained constant at each point as the age varied.

Caffeine and Sugars Interact in Aqueous Solutions: A Simulation and NMR Study

PubMed Central

Tavagnacco, Letizia; Engström, Olof; Schnupf, Udo; Saboungi, Marie-Louise; Himmel, Michael; Widmalm, Göran; Cesàro, Attilio; Brady, John W.

2012-01-01

Molecular dynamics simulations were carried out on several systems of caffeine interacting with simple sugars. These included a single caffeine molecule in a 3 molal solution of α-D-glucopyranose, at a caffeine concentration of 0.083 molal; a single caffeine in a 3 molal solution of β-D-glucopyranose, and a single caffeine molecule in a 1.08 molal solution of sucrose (table sugar). Parallel Nuclear Magnetic Resonance titration experiments were carried out on the same solutions under similar conditions. Consistent with previous thermodynamic experiments, the sugars were found to have an affinity for the caffeine molecules in both the simulations and experiments, and that the binding in these complexes occurs by face-to-face stacking of the hydrophobic triad of protons of the pyranose rings against the caffeine face, rather than by hydrogen bonding. For the disaccharide, the binding occurs via stacking of the glucose ring against the caffeine, with a lesser affinity for the fructose observed. These findings are consistent with the association being driven by hydrophobic hydration, and are similar to the previously observed binding of glucose rings to various other planar molecules, including indole, serotonin, and phenol. PMID:22897449

Caffeine and sugars interact in aqueous solutions: a simulation and NMR study.

PubMed

Tavagnacco, Letizia; Engström, Olof; Schnupf, Udo; Saboungi, Marie-Louise; Himmel, Michael; Widmalm, Göran; Cesàro, Attilio; Brady, John W

2012-09-27

Molecular dynamics simulations were carried out on several systems of caffeine interacting with simple sugars. These included a single caffeine molecule in a 3 m solution of α-D-glucopyranose, at a caffeine concentration of 0.083 m, a single caffeine in a 3 m solution of β-D-glucopyranose, and a single caffeine molecule in a 1.08 m solution of sucrose (table sugar). Parallel nuclear magnetic resonance titration experiments were carried out on the same solutions under similar conditions. Consistent with previous thermodynamic experiments, the sugars were found to have an affinity for the caffeine molecules in both the simulations and experiments, and the binding in these complexes occurs by face-to-face stacking of the hydrophobic triad of protons of the pyranose rings against the caffeine face, rather than by hydrogen bonding. For the disaccharide, the binding occurs via stacking of the glucose ring against the caffeine, with a lesser affinity for the fructose observed. These findings are consistent with the association being driven by hydrophobic hydration and are similar to the previously observed binding of glucose rings to various other planar molecules, including indole, serotonin, and phenol.

Measuring global monopole velocities, one by one

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

Lopez-Eiguren, Asier; Urrestilla, Jon; Achúcarro, Ana, E-mail: asier.lopez@ehu.eus, E-mail: jon.urrestilla@ehu.eus, E-mail: achucar@lorentz.leidenuniv.nl

We present an estimation of the average velocity of a network of global monopoles in a cosmological setting using large numerical simulations. In order to obtain the value of the velocity, we improve some already known methods, and present a new one. This new method estimates individual global monopole velocities in a network, by means of detecting each monopole position in the lattice and following the path described by each one of them. Using our new estimate we can settle an open question previously posed in the literature: velocity-dependent one-scale (VOS) models for global monopoles predict two branches of scalingmore » solutions, one with monopoles moving at subluminal speeds and one with monopoles moving at luminal speeds. Previous attempts to estimate monopole velocities had large uncertainties and were not able to settle that question. Our simulations find no evidence of a luminal branch. We also estimate the values of the parameters of the VOS model. With our new method we can also study the microphysics of the complicated dynamics of individual monopoles. Finally we use our large simulation volume to compare the results from the different estimator methods, as well as to asses the validity of the numerical approximations made.« less

Molecular dynamics simulations indicate that deoxyhemoglobin, oxyhemoglobin, carboxyhemoglobin, and glycated hemoglobin under compression and shear exhibit an anisotropic mechanical behavior.

PubMed

Yesudasan, Sumith; Wang, Xianqiao; Averett, Rodney D

2018-05-01

We developed a new mechanical model for determining the compression and shear mechanical behavior of four different hemoglobin structures. Previous studies on hemoglobin structures have focused primarily on overall mechanical behavior; however, this study investigates the mechanical behavior of hemoglobin, a major constituent of red blood cells, using steered molecular dynamics (SMD) simulations to obtain anisotropic mechanical behavior under compression and shear loading conditions. Four different configurations of hemoglobin molecules were considered: deoxyhemoglobin (deoxyHb), oxyhemoglobin (HbO 2 ), carboxyhemoglobin (HbCO), and glycated hemoglobin (HbA 1C ). The SMD simulations were performed on the hemoglobin variants to estimate their unidirectional stiffness and shear stiffness. Although hemoglobin is structurally denoted as a globular protein due to its spherical shape and secondary structure, our simulation results show a significant variation in the mechanical strength in different directions (anisotropy) and also a strength variation among the four different hemoglobin configurations studied. The glycated hemoglobin molecule possesses an overall higher compressive mechanical stiffness and shear stiffness when compared to deoxyhemoglobin, oxyhemoglobin, and carboxyhemoglobin molecules. Further results from the models indicate that the hemoglobin structures studied possess a soft outer shell and a stiff core based on stiffness.

Full cycle trigonometric function on Intel Quartus II Verilog

NASA Astrophysics Data System (ADS)

Mustapha, Muhazam; Zulkarnain, Nur Antasha

2018-02-01

This paper discusses about an improvement of a previous research on hardware based trigonometric calculations. Tangent function will also be implemented to get a complete set. The functions have been simulated using Quartus II where the result will be compared to the previous work. The number of bits has also been extended for each trigonometric function. The design is based on RTL due to its resource efficient nature. At earlier stage, a technology independent test bench simulation was conducted on ModelSim due to its convenience in capturing simulation data so that accuracy information can be obtained. On second stage, Intel/Altera Quartus II will be used to simulate on technology dependent platform, particularly on the one belonging to Intel/Altera itself. Real data on no. logic elements used and propagation delay have also been obtained.

Erratum: Retraction Note to: Experimental and Simulation Studies on Grain Growth in TiC- and WC-Based Cermets During Liquid Phase Sintering

NASA Astrophysics Data System (ADS)

Shin, Soon-Gi

2018-03-01

This article [1] has been retracted at the request of the Editor-in-Chief. Concerns were raised regarding substantial duplications with previous articles published in other journals in which S.-G. Shin is one of the co-authors.

Spatial Dependence and Heterogeneity in Bayesian Factor Analysis: A Cross-National Investigation of Schwartz Values

ERIC Educational Resources Information Center

Stakhovych, Stanislav; Bijmolt, Tammo H. A.; Wedel, Michel

2012-01-01

In this article, we present a Bayesian spatial factor analysis model. We extend previous work on confirmatory factor analysis by including geographically distributed latent variables and accounting for heterogeneity and spatial autocorrelation. The simulation study shows excellent recovery of the model parameters and demonstrates the consequences…

Equilibrium E × B Flows in Nonlinear Gyrofluid Flux-Tube Simulations

NASA Astrophysics Data System (ADS)

Beer, M. A.; Hammett, G. W.

2000-10-01

Comparisons of theory with experiment often indicate levels of sheared E × B flow large enough to significantly suppress turbulence, especially when local transport barriers are formed. We extend our previous simulations by including equilibrium scale sheared E × B flow directly, by introducing a coordinate transformation which shears the simulation domain with the equilibrium E × B flow, while preserving smooth statistical periodicity across the radial domain. This method was used linearly in our previous comparisons with JET [Beer, Budny, Challis, et al., EPS (1999)] and is now applied to nonlinear simulations. This method makes use of some tricks suggested for this problem by Dimits [Int. Conf. on Numerical Simulation of Plasmas (1994)] based on special properties of discrete Fourier transforms. A similar coordinate transformation was previously used successfully by Waltz, et al. [Phys. Plasmas 5, 1784 (1998)], and we confirm their finding that the turbulence is suppressed when the shearing rate, ω_E, is comparable to the maximum linear growth rate in the absence of sheared flow, γ_lin. This is often significantly different than the threshold for linear suppression. With this extension, our simulations are able to address transport barriers from a more rigorous footing. Of particular interest will be the investigation of the expansion or propagation of barriers, where E × B shear suppression is by definition at the marginal point. In addition, our formulation uses general magnetic geometry, so we can rigorously investigate various geometrical effects (e.g. hats, Δ', κ) on the threshold for suppression.