Range Finding with a Plenoptic Camera

DTIC Science & Technology

2014-03-27

92 Experimental Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93 Simulated Camera Analysis...Varying Lens Diameter . . . . . . . . . . . . . . . . 95 Simulated Camera Analysis: Varying Detector Size . . . . . . . . . . . . . . . . . 98 Simulated ...Matching Framework . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76 37 Simulated Camera Performance with SIFT

Using computer simulations to facilitate conceptual understanding of electromagnetic induction

NASA Astrophysics Data System (ADS)

Lee, Yu-Fen

This study investigated the use of computer simulations to facilitate conceptual understanding in physics. The use of computer simulations in the present study was grounded in a conceptual framework drawn from findings related to the use of computer simulations in physics education. To achieve the goal of effective utilization of computers for physics education, I first reviewed studies pertaining to computer simulations in physics education categorized by three different learning frameworks and studies comparing the effects of different simulation environments. My intent was to identify the learning context and factors for successful use of computer simulations in past studies and to learn from the studies which did not obtain a significant result. Based on the analysis of reviewed literature, I proposed effective approaches to integrate computer simulations in physics education. These approaches are consistent with well established education principles such as those suggested by How People Learn (Bransford, Brown, Cocking, Donovan, & Pellegrino, 2000). The research based approaches to integrated computer simulations in physics education form a learning framework called Concept Learning with Computer Simulations (CLCS) in the current study. The second component of this study was to examine the CLCS learning framework empirically. The participants were recruited from a public high school in Beijing, China. All participating students were randomly assigned to two groups, the experimental (CLCS) group and the control (TRAD) group. Research based computer simulations developed by the physics education research group at University of Colorado at Boulder were used to tackle common conceptual difficulties in learning electromagnetic induction. While interacting with computer simulations, CLCS students were asked to answer reflective questions designed to stimulate qualitative reasoning and explanation. After receiving model reasoning online, students were asked to submit their revised answers electronically. Students in the TRAD group were not granted access to the CLCS material and followed their normal classroom routine. At the end of the study, both the CLCS and TRAD students took a post-test. Questions on the post-test were divided into "what" questions, "how" questions, and an open response question. Analysis of students' post-test performance showed mixed results. While the TRAD students scored higher on the "what" questions, the CLCS students scored higher on the "how" questions and the one open response questions. This result suggested that more TRAD students knew what kinds of conditions may or may not cause electromagnetic induction without understanding how electromagnetic induction works. Analysis of the CLCS students' learning also suggested that frequent disruption and technical trouble might pose threats to the effectiveness of the CLCS learning framework. Despite the mixed results of students' post-test performance, the CLCS learning framework revealed some limitations to promote conceptual understanding in physics. Improvement can be made by providing students with background knowledge necessary to understand model reasoning and incorporating the CLCS learning framework with other learning frameworks to promote integration of various physics concepts. In addition, the reflective questions in the CLCS learning framework may be refined to better address students' difficulties. Limitations of the study, as well as suggestions for future research, are also presented in this study.

Simulation Framework for Rapid Entry, Descent, and Landing (EDL) Analysis, Phase 2 Results

NASA Technical Reports Server (NTRS)

Murri, Daniel G.

2011-01-01

The NASA Engineering and Safety Center (NESC) was requested to establish the Simulation Framework for Rapid Entry, Descent, and Landing (EDL) Analysis assessment, which involved development of an enhanced simulation architecture using the Program to Optimize Simulated Trajectories II simulation tool. The assessment was requested to enhance the capability of the Agency to provide rapid evaluation of EDL characteristics in systems analysis studies, preliminary design, mission development and execution, and time-critical assessments. Many of the new simulation framework capabilities were developed to support the Agency EDL-Systems Analysis (SA) team that is conducting studies of the technologies and architectures that are required to enable human and higher mass robotic missions to Mars. The findings, observations, and recommendations from the NESC are provided in this report.

A Computational Framework for Efficient Low Temperature Plasma Simulations

NASA Astrophysics Data System (ADS)

Verma, Abhishek Kumar; Venkattraman, Ayyaswamy

2016-10-01

Over the past years, scientific computing has emerged as an essential tool for the investigation and prediction of low temperature plasmas (LTP) applications which includes electronics, nanomaterial synthesis, metamaterials etc. To further explore the LTP behavior with greater fidelity, we present a computational toolbox developed to perform LTP simulations. This framework will allow us to enhance our understanding of multiscale plasma phenomenon using high performance computing tools mainly based on OpenFOAM FVM distribution. Although aimed at microplasma simulations, the modular framework is able to perform multiscale, multiphysics simulations of physical systems comprises of LTP. Some salient introductory features are capability to perform parallel, 3D simulations of LTP applications on unstructured meshes. Performance of the solver is tested based on numerical results assessing accuracy and efficiency of benchmarks for problems in microdischarge devices. Numerical simulation of microplasma reactor at atmospheric pressure with hemispherical dielectric coated electrodes will be discussed and hence, provide an overview of applicability and future scope of this framework.

A configurable distributed high-performance computing framework for satellite's TDI-CCD imaging simulation

NASA Astrophysics Data System (ADS)

Xue, Bo; Mao, Bingjing; Chen, Xiaomei; Ni, Guoqiang

2010-11-01

This paper renders a configurable distributed high performance computing(HPC) framework for TDI-CCD imaging simulation. It uses strategy pattern to adapt multi-algorithms. Thus, this framework help to decrease the simulation time with low expense. Imaging simulation for TDI-CCD mounted on satellite contains four processes: 1) atmosphere leads degradation, 2) optical system leads degradation, 3) electronic system of TDI-CCD leads degradation and re-sampling process, 4) data integration. Process 1) to 3) utilize diversity data-intensity algorithms such as FFT, convolution and LaGrange Interpol etc., which requires powerful CPU. Even uses Intel Xeon X5550 processor, regular series process method takes more than 30 hours for a simulation whose result image size is 1500 * 1462. With literature study, there isn't any mature distributing HPC framework in this field. Here we developed a distribute computing framework for TDI-CCD imaging simulation, which is based on WCF[1], uses Client/Server (C/S) layer and invokes the free CPU resources in LAN. The server pushes the process 1) to 3) tasks to those free computing capacity. Ultimately we rendered the HPC in low cost. In the computing experiment with 4 symmetric nodes and 1 server , this framework reduced about 74% simulation time. Adding more asymmetric nodes to the computing network, the time decreased namely. In conclusion, this framework could provide unlimited computation capacity in condition that the network and task management server are affordable. And this is the brand new HPC solution for TDI-CCD imaging simulation and similar applications.

Modeling framework for representing long-term effectiveness of best management practices in addressing hydrology and water quality problems: Framework development and demonstration using a Bayesian method

NASA Astrophysics Data System (ADS)

Liu, Yaoze; Engel, Bernard A.; Flanagan, Dennis C.; Gitau, Margaret W.; McMillan, Sara K.; Chaubey, Indrajeet; Singh, Shweta

2018-05-01

Best management practices (BMPs) are popular approaches used to improve hydrology and water quality. Uncertainties in BMP effectiveness over time may result in overestimating long-term efficiency in watershed planning strategies. To represent varying long-term BMP effectiveness in hydrologic/water quality models, a high level and forward-looking modeling framework was developed. The components in the framework consist of establishment period efficiency, starting efficiency, efficiency for each storm event, efficiency between maintenance, and efficiency over the life cycle. Combined, they represent long-term efficiency for a specific type of practice and specific environmental concern (runoff/pollutant). An approach for possible implementation of the framework was discussed. The long-term impacts of grass buffer strips (agricultural BMP) and bioretention systems (urban BMP) in reducing total phosphorus were simulated to demonstrate the framework. Data gaps were captured in estimating the long-term performance of the BMPs. A Bayesian method was used to match the simulated distribution of long-term BMP efficiencies with the observed distribution with the assumption that the observed data represented long-term BMP efficiencies. The simulated distribution matched the observed distribution well with only small total predictive uncertainties. With additional data, the same method can be used to further improve the simulation results. The modeling framework and results of this study, which can be adopted in hydrologic/water quality models to better represent long-term BMP effectiveness, can help improve decision support systems for creating long-term stormwater management strategies for watershed management projects.

Death of a Simulated Pediatric Patient: Toward a More Robust Theoretical Framework.

PubMed

McBride, Mary E; Schinasi, Dana Aronson; Moga, Michael Alice; Tripathy, Shreepada; Calhoun, Aaron

2017-12-01

A theoretical framework was recently proposed that encapsulates learner responses to simulated death due to action or inaction in the pediatric context. This framework, however, was developed at an institution that allows simulated death and thus does not address the experience of those centers at which this technique is not used. To address this, we performed a parallel qualitative study with the intent of augmenting the initial framework. We conducted focus groups, using a constructivist grounded theory approach, using physicians and nurses who have experienced a simulated cardiac arrest. The participants were recruited via e-mail. Transcripts were analyzed by coders blinded to the original framework to generate a list of provisional themes that were iteratively refined. These themes were then compared with the themes from the original article and used to derive a consensus model that incorporated the most relevant features of each. Focus group data yielded 7 themes. Six were similar to those developed in the original framework. One important exception was noted; however, those learners not exposed to patient death due to action or inaction often felt that the mannequin's survival was artificial. This additional theme was incorporated into a revised framework. The original framework addresses most aspects of learner reactions to simulated death. Our work suggests that adding the theme pertaining to the lack of realism that can be perceived when the mannequin is unexpectedly saved results in a more robust theoretical framework transferable to centers that do not allow mannequin death.

iTOUGH2: A multiphysics simulation-optimization framework for analyzing subsurface systems

NASA Astrophysics Data System (ADS)

Finsterle, S.; Commer, M.; Edmiston, J. K.; Jung, Y.; Kowalsky, M. B.; Pau, G. S. H.; Wainwright, H. M.; Zhang, Y.

2017-11-01

iTOUGH2 is a simulation-optimization framework for the TOUGH suite of nonisothermal multiphase flow models and related simulators of geophysical, geochemical, and geomechanical processes. After appropriate parameterization of subsurface structures and their properties, iTOUGH2 runs simulations for multiple parameter sets and analyzes the resulting output for parameter estimation through automatic model calibration, local and global sensitivity analyses, data-worth analyses, and uncertainty propagation analyses. Development of iTOUGH2 is driven by scientific challenges and user needs, with new capabilities continually added to both the forward simulator and the optimization framework. This review article provides a summary description of methods and features implemented in iTOUGH2, and discusses the usefulness and limitations of an integrated simulation-optimization workflow in support of the characterization and analysis of complex multiphysics subsurface systems.

Physically Based Modeling and Simulation with Dynamic Spherical Volumetric Simplex Splines

PubMed Central

Tan, Yunhao; Hua, Jing; Qin, Hong

2009-01-01

In this paper, we present a novel computational modeling and simulation framework based on dynamic spherical volumetric simplex splines. The framework can handle the modeling and simulation of genus-zero objects with real physical properties. In this framework, we first develop an accurate and efficient algorithm to reconstruct the high-fidelity digital model of a real-world object with spherical volumetric simplex splines which can represent with accuracy geometric, material, and other properties of the object simultaneously. With the tight coupling of Lagrangian mechanics, the dynamic volumetric simplex splines representing the object can accurately simulate its physical behavior because it can unify the geometric and material properties in the simulation. The visualization can be directly computed from the object’s geometric or physical representation based on the dynamic spherical volumetric simplex splines during simulation without interpolation or resampling. We have applied the framework for biomechanic simulation of brain deformations, such as brain shifting during the surgery and brain injury under blunt impact. We have compared our simulation results with the ground truth obtained through intra-operative magnetic resonance imaging and the real biomechanic experiments. The evaluations demonstrate the excellent performance of our new technique. PMID:20161636

Framework for modeling urban restoration resilience time in the aftermath of an extreme event

USGS Publications Warehouse

Ramachandran, Varun; Long, Suzanna K.; Shoberg, Thomas G.; Corns, Steven; Carlo, Héctor

2015-01-01

The impacts of extreme events continue long after the emergency response has terminated. Effective reconstruction of supply-chain strategic infrastructure (SCSI) elements is essential for postevent recovery and the reconnectivity of a region with the outside. This study uses an interdisciplinary approach to develop a comprehensive framework to model resilience time. The framework is tested by comparing resilience time results for a simulated EF-5 tornado with ground truth data from the tornado that devastated Joplin, Missouri, on May 22, 2011. Data for the simulated tornado were derived for Overland Park, Johnson County, Kansas, in the greater Kansas City, Missouri, area. Given the simulated tornado, a combinatorial graph considering the damages in terms of interconnectivity between different SCSI elements is derived. Reconstruction in the aftermath of the simulated tornado is optimized using the proposed framework to promote a rapid recovery of the SCSI. This research shows promising results when compared with the independent quantifiable data obtained from Joplin, Missouri, returning a resilience time of 22 days compared with 25 days reported by city and state officials.

GADEN: A 3D Gas Dispersion Simulator for Mobile Robot Olfaction in Realistic Environments.

PubMed

Monroy, Javier; Hernandez-Bennets, Victor; Fan, Han; Lilienthal, Achim; Gonzalez-Jimenez, Javier

2017-06-23

This work presents a simulation framework developed under the widely used Robot Operating System (ROS) to enable the validation of robotics systems and gas sensing algorithms under realistic environments. The framework is rooted in the principles of computational fluid dynamics and filament dispersion theory, modeling wind flow and gas dispersion in 3D real-world scenarios (i.e., accounting for walls, furniture, etc.). Moreover, it integrates the simulation of different environmental sensors, such as metal oxide gas sensors, photo ionization detectors, or anemometers. We illustrate the potential and applicability of the proposed tool by presenting a simulation case in a complex and realistic office-like environment where gas leaks of different chemicals occur simultaneously. Furthermore, we accomplish quantitative and qualitative validation by comparing our simulated results against real-world data recorded inside a wind tunnel where methane was released under different wind flow profiles. Based on these results, we conclude that our simulation framework can provide a good approximation to real world measurements when advective airflows are present in the environment.

GADEN: A 3D Gas Dispersion Simulator for Mobile Robot Olfaction in Realistic Environments

PubMed Central

Hernandez-Bennetts, Victor; Fan, Han; Lilienthal, Achim; Gonzalez-Jimenez, Javier

2017-01-01

This work presents a simulation framework developed under the widely used Robot Operating System (ROS) to enable the validation of robotics systems and gas sensing algorithms under realistic environments. The framework is rooted in the principles of computational fluid dynamics and filament dispersion theory, modeling wind flow and gas dispersion in 3D real-world scenarios (i.e., accounting for walls, furniture, etc.). Moreover, it integrates the simulation of different environmental sensors, such as metal oxide gas sensors, photo ionization detectors, or anemometers. We illustrate the potential and applicability of the proposed tool by presenting a simulation case in a complex and realistic office-like environment where gas leaks of different chemicals occur simultaneously. Furthermore, we accomplish quantitative and qualitative validation by comparing our simulated results against real-world data recorded inside a wind tunnel where methane was released under different wind flow profiles. Based on these results, we conclude that our simulation framework can provide a good approximation to real world measurements when advective airflows are present in the environment. PMID:28644375

Qualitative, semi-quantitative, and quantitative simulation of the osmoregulation system in yeast

PubMed Central

Pang, Wei; Coghill, George M.

2015-01-01

In this paper we demonstrate how Morven, a computational framework which can perform qualitative, semi-quantitative, and quantitative simulation of dynamical systems using the same model formalism, is applied to study the osmotic stress response pathway in yeast. First the Morven framework itself is briefly introduced in terms of the model formalism employed and output format. We then built a qualitative model for the biophysical process of the osmoregulation in yeast, and a global qualitative-level picture was obtained through qualitative simulation of this model. Furthermore, we constructed a Morven model based on existing quantitative model of the osmoregulation system. This model was then simulated qualitatively, semi-quantitatively, and quantitatively. The obtained simulation results are presented with an analysis. Finally the future development of the Morven framework for modelling the dynamic biological systems is discussed. PMID:25864377

Issues in container transportation in the Northeast : background, framework, illustrative results and future directions

DOT National Transportation Integrated Search

2004-12-01

An integrated framework for addressing container transportation issues in the Northeast US is developed and illustrated. The framework involves the extension of a spatial-economic coastal container port and related multimodal demand simulation model ...

Cognitive simulators for medical education and training.

PubMed

Kahol, Kanav; Vankipuram, Mithra; Smith, Marshall L

2009-08-01

Simulators for honing procedural skills (such as surgical skills and central venous catheter placement) have proven to be valuable tools for medical educators and students. While such simulations represent an effective paradigm in surgical education, there is an opportunity to add a layer of cognitive exercises to these basic simulations that can facilitate robust skill learning in residents. This paper describes a controlled methodology, inspired by neuropsychological assessment tasks and embodied cognition, to develop cognitive simulators for laparoscopic surgery. These simulators provide psychomotor skill training and offer the additional challenge of accomplishing cognitive tasks in realistic environments. A generic framework for design, development and evaluation of such simulators is described. The presented framework is generalizable and can be applied to different task domains. It is independent of the types of sensors, simulation environment and feedback mechanisms that the simulators use. A proof of concept of the framework is provided through developing a simulator that includes cognitive variations to a basic psychomotor task. The results of two pilot studies are presented that show the validity of the methodology in providing an effective evaluation and learning environments for surgeons.

Simulating future residential property losses from wildfire in Flathead County, Montana: Chapter 1

USGS Publications Warehouse

Prato, Tony; Paveglio, Travis B; Barnett, Yan; Silverstein, Robin; Hardy, Michael; Keane, Robert; Loehman, Rachel A.; Clark, Anthony; Fagre, Daniel B.; Venn, Tyron; Stockmann, Keith

2014-01-01

Wildfire damages to private residences in the United States and elsewhere have increased as a result of expansion of the wildland-urban interface (WUI) and other factors. Understanding this unwelcome trend requires analytical frameworks that simulate how various interacting social, economic, and biophysical factors influence those damages. A methodological framework is developed for simulating expected residential property losses from wildfire [E(RLW)], which is a probabilistic monetary measure of wildfire risk to residential properties in the WUI. E(RLW) is simulated for Flathead County, Montana for five, 10-year subperiods covering the period 2010-2059, under various assumptions about future climate change, economic growth, land use policy, and forest management. Results show statistically significant increases in the spatial extent of WUI properties, the number of residential structures at risk from wildfire, and E(RLW) over the 50-year evaluation period for both the county and smaller subareas (i.e., neighborhoods and parcels). The E(RLW) simulation framework presented here advances the field of wildfire risk assessment by providing a finer-scale tool that incorporates a set of dynamic, interacting processes. The framework can be applied using other scenarios for climate change, economic growth, land use policy, and forest management, and in other areas.

Simulation Framework to Estimate the Performance of CO2 and O2 Sensing from Space and Airborne Platforms for the ASCENDS Mission Requirements Analysis

NASA Technical Reports Server (NTRS)

Plitau, Denis; Prasad, Narasimha S.

2012-01-01

The Active Sensing of CO2 Emissions over Nights Days and Seasons (ASCENDS) mission recommended by the NRC Decadal Survey has a desired accuracy of 0.3% in carbon dioxide mixing ratio (XCO2) retrievals requiring careful selection and optimization of the instrument parameters. NASA Langley Research Center (LaRC) is investigating 1.57 micron carbon dioxide as well as the 1.26-1.27 micron oxygen bands for our proposed ASCENDS mission requirements investigation. Simulation studies are underway for these bands to select optimum instrument parameters. The simulations are based on a multi-wavelength lidar modeling framework being developed at NASA LaRC to predict the performance of CO2 and O2 sensing from space and airborne platforms. The modeling framework consists of a lidar simulation module and a line-by-line calculation component with interchangeable lineshape routines to test the performance of alternative lineshape models in the simulations. As an option the line-by-line radiative transfer model (LBLRTM) program may also be used for line-by-line calculations. The modeling framework is being used to perform error analysis, establish optimum measurement wavelengths as well as to identify the best lineshape models to be used in CO2 and O2 retrievals. Several additional programs for HITRAN database management and related simulations are planned to be included in the framework. The description of the modeling framework with selected results of the simulation studies for CO2 and O2 sensing is presented in this paper.

Unsteady Analyses of Valve Systems in Rocket Engine Testing Environments

NASA Technical Reports Server (NTRS)

Shipman, Jeremy; Hosangadi, Ashvin; Ahuja, Vineet

2004-01-01

This paper discusses simulation technology used to support the testing of rocket propulsion systems by performing high fidelity analyses of feed system components. A generalized multi-element framework has been used to perform simulations of control valve systems. This framework provides the flexibility to resolve the structural and functional complexities typically associated with valve-based high pressure feed systems that are difficult to deal with using traditional Computational Fluid Dynamics (CFD) methods. In order to validate this framework for control valve systems, results are presented for simulations of a cryogenic control valve at various plug settings and compared to both experimental data and simulation results obtained at NASA Stennis Space Center. A detailed unsteady analysis has also been performed for a pressure regulator type control valve used to support rocket engine and component testing at Stennis Space Center. The transient simulation captures the onset of a modal instability that has been observed in the operation of the valve. A discussion of the flow physics responsible for the instability and a prediction of the dominant modes associated with the fluctuations is presented.

Patient-Specific Simulation of Cardiac Blood Flow From High-Resolution Computed Tomography.

PubMed

Lantz, Jonas; Henriksson, Lilian; Persson, Anders; Karlsson, Matts; Ebbers, Tino

2016-12-01

Cardiac hemodynamics can be computed from medical imaging data, and results could potentially aid in cardiac diagnosis and treatment optimization. However, simulations are often based on simplified geometries, ignoring features such as papillary muscles and trabeculae due to their complex shape, limitations in image acquisitions, and challenges in computational modeling. This severely hampers the use of computational fluid dynamics in clinical practice. The overall aim of this study was to develop a novel numerical framework that incorporated these geometrical features. The model included the left atrium, ventricle, ascending aorta, and heart valves. The framework used image registration to obtain patient-specific wall motion, automatic remeshing to handle topological changes due to the complex trabeculae motion, and a fast interpolation routine to obtain intermediate meshes during the simulations. Velocity fields and residence time were evaluated, and they indicated that papillary muscles and trabeculae strongly interacted with the blood, which could not be observed in a simplified model. The framework resulted in a model with outstanding geometrical detail, demonstrating the feasibility as well as the importance of a framework that is capable of simulating blood flow in physiologically realistic hearts.

In Vivo Investigation of the Effectiveness of a Hyper-viscoelastic Model in Simulating Brain Retraction

NASA Astrophysics Data System (ADS)

Li, Ping; Wang, Weiwei; Zhang, Chenxi; An, Yong; Song, Zhijian

2016-07-01

Intraoperative brain retraction leads to a misalignment between the intraoperative positions of the brain structures and their previous positions, as determined from preoperative images. In vitro swine brain sample uniaxial tests showed that the mechanical response of brain tissue to compression and extension could be described by the hyper-viscoelasticity theory. The brain retraction caused by the mechanical process is a combination of brain tissue compression and extension. In this paper, we first constructed a hyper-viscoelastic framework based on the extended finite element method (XFEM) to simulate intraoperative brain retraction. To explore its effectiveness, we then applied this framework to an in vivo brain retraction simulation. The simulation strictly followed the clinical scenario, in which seven swine were subjected to brain retraction. Our experimental results showed that the hyper-viscoelastic XFEM framework is capable of simulating intraoperative brain retraction and improving the navigation accuracy of an image-guided neurosurgery system (IGNS).

Qualitative, semi-quantitative, and quantitative simulation of the osmoregulation system in yeast.

PubMed

Pang, Wei; Coghill, George M

2015-05-01

In this paper we demonstrate how Morven, a computational framework which can perform qualitative, semi-quantitative, and quantitative simulation of dynamical systems using the same model formalism, is applied to study the osmotic stress response pathway in yeast. First the Morven framework itself is briefly introduced in terms of the model formalism employed and output format. We then built a qualitative model for the biophysical process of the osmoregulation in yeast, and a global qualitative-level picture was obtained through qualitative simulation of this model. Furthermore, we constructed a Morven model based on existing quantitative model of the osmoregulation system. This model was then simulated qualitatively, semi-quantitatively, and quantitatively. The obtained simulation results are presented with an analysis. Finally the future development of the Morven framework for modelling the dynamic biological systems is discussed. Copyright © 2015 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

Efficient evaluation of wireless real-time control networks.

PubMed

Horvath, Peter; Yampolskiy, Mark; Koutsoukos, Xenofon

2015-02-11

In this paper, we present a system simulation framework for the design and performance evaluation of complex wireless cyber-physical systems. We describe the simulator architecture and the specific developments that are required to simulate cyber-physical systems relying on multi-channel, multihop mesh networks. We introduce realistic and efficient physical layer models and a system simulation methodology, which provides statistically significant performance evaluation results with low computational complexity. The capabilities of the proposed framework are illustrated in the example of WirelessHART, a centralized, real-time, multi-hop mesh network designed for industrial control and monitor applications.

Enabling parallel simulation of large-scale HPC network systems

DOE PAGES

Mubarak, Misbah; Carothers, Christopher D.; Ross, Robert B.; ...

2016-04-07

Here, with the increasing complexity of today’s high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems—in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks usedmore » in today’s IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today’s high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations« less

Enabling parallel simulation of large-scale HPC network systems

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

Mubarak, Misbah; Carothers, Christopher D.; Ross, Robert B.

Here, with the increasing complexity of today’s high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems—in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks usedmore » in today’s IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today’s high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations« less

Template-Based Geometric Simulation of Flexible Frameworks

PubMed Central

Wells, Stephen A.; Sartbaeva, Asel

2012-01-01

Specialised modelling and simulation methods implementing simplified physical models are valuable generators of insight. Template-based geometric simulation is a specialised method for modelling flexible framework structures made up of rigid units. We review the background, development and implementation of the method, and its applications to the study of framework materials such as zeolites and perovskites. The “flexibility window” property of zeolite frameworks is a particularly significant discovery made using geometric simulation. Software implementing geometric simulation of framework materials, “GASP”, is freely available to researchers. PMID:28817055

Building occupancy simulation and data assimilation using a graph-based agent-oriented model

NASA Astrophysics Data System (ADS)

Rai, Sanish; Hu, Xiaolin

2018-07-01

Building occupancy simulation and estimation simulates the dynamics of occupants and estimates their real-time spatial distribution in a building. It requires a simulation model and an algorithm for data assimilation that assimilates real-time sensor data into the simulation model. Existing building occupancy simulation models include agent-based models and graph-based models. The agent-based models suffer high computation cost for simulating large numbers of occupants, and graph-based models overlook the heterogeneity and detailed behaviors of individuals. Recognizing the limitations of existing models, this paper presents a new graph-based agent-oriented model which can efficiently simulate large numbers of occupants in various kinds of building structures. To support real-time occupancy dynamics estimation, a data assimilation framework based on Sequential Monte Carlo Methods is also developed and applied to the graph-based agent-oriented model to assimilate real-time sensor data. Experimental results show the effectiveness of the developed model and the data assimilation framework. The major contributions of this work are to provide an efficient model for building occupancy simulation that can accommodate large numbers of occupants and an effective data assimilation framework that can provide real-time estimations of building occupancy from sensor data.

A comparison between rate-and-state friction and microphysical models, based on numerical simulations of fault slip

NASA Astrophysics Data System (ADS)

van den Ende, M. P. A.; Chen, J.; Ampuero, J.-P.; Niemeijer, A. R.

2018-05-01

Rate-and-state friction (RSF) is commonly used for the characterisation of laboratory friction experiments, such as velocity-step tests. However, the RSF framework provides little physical basis for the extrapolation of these results to the scales and conditions of natural fault systems, and so open questions remain regarding the applicability of the experimentally obtained RSF parameters for predicting seismic cycle transients. As an alternative to classical RSF, microphysics-based models offer means for interpreting laboratory and field observations, but are generally over-simplified with respect to heterogeneous natural systems. In order to bridge the temporal and spatial gap between the laboratory and nature, we have implemented existing microphysical model formulations into an earthquake cycle simulator. Through this numerical framework, we make a direct comparison between simulations exhibiting RSF-controlled fault rheology, and simulations in which the fault rheology is dictated by the microphysical model. Even though the input parameters for the RSF simulation are directly derived from the microphysical model, the microphysics-based simulations produce significantly smaller seismic event sizes than the RSF-based simulation, and suggest a more stable fault slip behaviour. Our results reveal fundamental limitations in using classical rate-and-state friction for the extrapolation of laboratory results. The microphysics-based approach offers a more complete framework in this respect, and may be used for a more detailed study of the seismic cycle in relation to material properties and fault zone pressure-temperature conditions.

A Coupled Earthquake-Tsunami Simulation Framework Applied to the Sumatra 2004 Event

NASA Astrophysics Data System (ADS)

Vater, Stefan; Bader, Michael; Behrens, Jörn; van Dinther, Ylona; Gabriel, Alice-Agnes; Madden, Elizabeth H.; Ulrich, Thomas; Uphoff, Carsten; Wollherr, Stephanie; van Zelst, Iris

2017-04-01

Large earthquakes along subduction zone interfaces have generated destructive tsunamis near Chile in 1960, Sumatra in 2004, and northeast Japan in 2011. In order to better understand these extreme events, we have developed tools for physics-based, coupled earthquake-tsunami simulations. This simulation framework is applied to the 2004 Indian Ocean M 9.1-9.3 earthquake and tsunami, a devastating event that resulted in the loss of more than 230,000 lives. The earthquake rupture simulation is performed using an ADER discontinuous Galerkin discretization on an unstructured tetrahedral mesh with the software SeisSol. Advantages of this approach include accurate representation of complex fault and sea floor geometries and a parallelized and efficient workflow in high-performance computing environments. Accurate and efficient representation of the tsunami evolution and inundation at the coast is achieved with an adaptive mesh discretizing the shallow water equations with a second-order Runge-Kutta discontinuous Galerkin (RKDG) scheme. With the application of the framework to this historic event, we aim to better understand the involved mechanisms between the dynamic earthquake within the earth's crust, the resulting tsunami wave within the ocean, and the final coastal inundation process. Earthquake model results are constrained by GPS surface displacements and tsunami model results are compared with buoy and inundation data. This research is part of the ASCETE Project, "Advanced Simulation of Coupled Earthquake and Tsunami Events", funded by the Volkswagen Foundation.

A framework for modeling scenario-based barrier island storm impacts

USGS Publications Warehouse

Mickey, Rangley; Long, Joseph W.; Dalyander, P. Soupy; Plant, Nathaniel G.; Thompson, David M.

2018-01-01

Methods for investigating the vulnerability of existing or proposed coastal features to storm impacts often rely on simplified parametric models or one-dimensional process-based modeling studies that focus on changes to a profile across a dune or barrier island. These simple studies tend to neglect the impacts to curvilinear or alongshore varying island planforms, influence of non-uniform nearshore hydrodynamics and sediment transport, irregular morphology of the offshore bathymetry, and impacts from low magnitude wave events (e.g. cold fronts). Presented here is a framework for simulating regionally specific, low and high magnitude scenario-based storm impacts to assess the alongshore variable vulnerabilities of a coastal feature. Storm scenarios based on historic hydrodynamic conditions were derived and simulated using the process-based morphologic evolution model XBeach. Model results show that the scenarios predicted similar patterns of erosion and overwash when compared to observed qualitative morphologic changes from recent storm events that were not included in the dataset used to build the scenarios. The framework model simulations were capable of predicting specific areas of vulnerability in the existing feature and the results illustrate how this storm vulnerability simulation framework could be used as a tool to help inform the decision-making process for scientists, engineers, and stakeholders involved in coastal zone management or restoration projects.

LIPID11: A Modular Framework for Lipid Simulations using Amber

PubMed Central

Skjevik, Åge A.; Madej, Benjamin D.; Walker, Ross C.; eigen, Knut T

2013-01-01

Accurate simulation of complex lipid bilayers has long been a goal in condensed phase molecular dynamics (MD). Structure and function of membrane-bound proteins are highly dependent on the lipid bilayer environment and are challenging to study through experimental methods. Within Amber, there has been limited focus on lipid simulations, although some success has been seen with the use of the General Amber Force Field (GAFF). However, to date there are no dedicated Amber lipid force fields. In this paper we describe a new charge derivation strategy for lipids consistent with the Amber RESP approach, and a new atom and residue naming and type convention. In the first instance, we have combined this approach with GAFF parameters. The result is LIPID11, a flexible, modular framework for the simulation of lipids that is fully compatible with the existing Amber force fields. The charge derivation procedure, capping strategy and nomenclature for LIPID11, along with preliminary simulation results and a discussion of the planned long-term parameter development are presented here. Our findings suggest that Lipid11 is a modular framework feasible for phospholipids and a flexible starting point for the development of a comprehensive, Amber-compatible lipid force field. PMID:22916730

Building energy simulation in real time through an open standard interface

DOE PAGES

Pang, Xiufeng; Nouidui, Thierry S.; Wetter, Michael; ...

2015-10-20

Building energy models (BEMs) are typically used for design and code compliance for new buildings and in the renovation of existing buildings to predict energy use. We present the increasing adoption of BEM as standard practice in the building industry presents an opportunity to extend the use of BEMs into construction, commissioning and operation. In 2009, the authors developed a real-time simulation framework to execute an EnergyPlus model in real time to improve building operation. This paper reports an enhancement of that real-time energy simulation framework. The previous version only works with software tools that implement the custom co-simulation interfacemore » of the Building Controls Virtual Test Bed (BCVTB), such as EnergyPlus, Dymola and TRNSYS. The new version uses an open standard interface, the Functional Mockup Interface (FMI), to provide a generic interface to any application that supports the FMI protocol. In addition, the new version utilizes the Simple Measurement and Actuation Profile (sMAP) tool as the data acquisition system to acquire, store and present data. Lastly, this paper introduces the updated architecture of the real-time simulation framework using FMI and presents proof-of-concept demonstration results which validate the new framework.« less

In Vivo Investigation of the Effectiveness of a Hyper-viscoelastic Model in Simulating Brain Retraction

PubMed Central

Li, Ping; Wang, Weiwei; Zhang, Chenxi; An, Yong; Song, Zhijian

2016-01-01

Intraoperative brain retraction leads to a misalignment between the intraoperative positions of the brain structures and their previous positions, as determined from preoperative images. In vitro swine brain sample uniaxial tests showed that the mechanical response of brain tissue to compression and extension could be described by the hyper-viscoelasticity theory. The brain retraction caused by the mechanical process is a combination of brain tissue compression and extension. In this paper, we first constructed a hyper-viscoelastic framework based on the extended finite element method (XFEM) to simulate intraoperative brain retraction. To explore its effectiveness, we then applied this framework to an in vivo brain retraction simulation. The simulation strictly followed the clinical scenario, in which seven swine were subjected to brain retraction. Our experimental results showed that the hyper-viscoelastic XFEM framework is capable of simulating intraoperative brain retraction and improving the navigation accuracy of an image-guided neurosurgery system (IGNS). PMID:27387301

An Example-Based Brain MRI Simulation Framework.

PubMed

He, Qing; Roy, Snehashis; Jog, Amod; Pham, Dzung L

2015-02-21

The simulation of magnetic resonance (MR) images plays an important role in the validation of image analysis algorithms such as image segmentation, due to lack of sufficient ground truth in real MR images. Previous work on MRI simulation has focused on explicitly modeling the MR image formation process. However, because of the overwhelming complexity of MR acquisition these simulations must involve simplifications and approximations that can result in visually unrealistic simulated images. In this work, we describe an example-based simulation framework, which uses an "atlas" consisting of an MR image and its anatomical models derived from the hard segmentation. The relationships between the MR image intensities and its anatomical models are learned using a patch-based regression that implicitly models the physics of the MR image formation. Given the anatomical models of a new brain, a new MR image can be simulated using the learned regression. This approach has been extended to also simulate intensity inhomogeneity artifacts based on the statistical model of training data. Results show that the example based MRI simulation method is capable of simulating different image contrasts and is robust to different choices of atlas. The simulated images resemble real MR images more than simulations produced by a physics-based model.

A Generic Simulation Framework for Non-Entangled based Experimental Quantum Cryptography and Communication: Quantum Cryptography and Communication Simulator (QuCCs)

NASA Astrophysics Data System (ADS)

Buhari, Abudhahir; Zukarnain, Zuriati Ahmad; Khalid, Roszelinda; Zakir Dato', Wira Jaafar Ahmad

2016-11-01

The applications of quantum information science move towards bigger and better heights for the next generation technology. Especially, in the field of quantum cryptography and quantum computation, the world already witnessed various ground-breaking tangible product and promising results. Quantum cryptography is one of the mature field from quantum mechanics and already available in the markets. The current state of quantum cryptography is still under various researches in order to reach the heights of digital cryptography. The complexity of quantum cryptography is higher due to combination of hardware and software. The lack of effective simulation tool to design and analyze the quantum cryptography experiments delays the reaching distance of the success. In this paper, we propose a framework to achieve an effective non-entanglement based quantum cryptography simulation tool. We applied hybrid simulation technique i.e. discrete event, continuous event and system dynamics. We also highlight the limitations of a commercial photonic simulation tool based experiments. Finally, we discuss ideas for achieving one-stop simulation package for quantum based secure key distribution experiments. All the modules of simulation framework are viewed from the computer science perspective.

Particle acceleration in solar active regions being in the state of self-organized criticality.

NASA Astrophysics Data System (ADS)

Vlahos, Loukas

We review the recent observational results on flare initiation and particle acceleration in solar active regions. Elaborating a statistical approach to describe the spatiotemporally intermittent electric field structures formed inside a flaring solar active region, we investigate the efficiency of such structures in accelerating charged particles (electrons and protons). The large-scale magnetic configuration in the solar atmosphere responds to the strong turbulent flows that convey perturbations across the active region by initiating avalanche-type processes. The resulting unstable structures correspond to small-scale dissipation regions hosting strong electric fields. Previous research on particle acceleration in strongly turbulent plasmas provides a general framework for addressing such a problem. This framework combines various electromagnetic field configurations obtained by magnetohydrodynamical (MHD) or cellular automata (CA) simulations, or by employing a statistical description of the field’s strength and configuration with test particle simulations. We work on data-driven 3D magnetic field extrapolations, based on a self-organized criticality models (SOC). A relativistic test-particle simulation traces each particle’s guiding center within these configurations. Using the simulated particle-energy distributions we test our results against observations, in the framework of the collisional thick target model (CTTM) of solar hard X-ray (HXR) emission and compare our results with the current observations.

A Level-set based framework for viscous simulation of particle-laden supersonic flows

NASA Astrophysics Data System (ADS)

Das, Pratik; Sen, Oishik; Jacobs, Gustaaf; Udaykumar, H. S.

2017-06-01

Particle-laden supersonic flows are important in natural and industrial processes, such as, volcanic eruptions, explosions, pneumatic conveyance of particle in material processing etc. Numerical study of such high-speed particle laden flows at the mesoscale calls for a numerical framework which allows simulation of supersonic flow around multiple moving solid objects. Only a few efforts have been made toward development of numerical frameworks for viscous simulation of particle-fluid interaction in supersonic flow regime. The current work presents a Cartesian grid based sharp-interface method for viscous simulations of interaction between supersonic flow with moving rigid particles. The no-slip boundary condition is imposed at the solid-fluid interfaces using a modified ghost fluid method (GFM). The current method is validated against the similarity solution of compressible boundary layer over flat-plate and benchmark numerical solution for steady supersonic flow over cylinder. Further validation is carried out against benchmark numerical results for shock induced lift-off of a cylinder in a shock tube. 3D simulation of steady supersonic flow over sphere is performed to compare the numerically obtained drag co-efficient with experimental results. A particle-resolved viscous simulation of shock interaction with a cloud of particles is performed to demonstrate that the current method is suitable for large-scale particle resolved simulations of particle-laden supersonic flows.

Simulation of orographic effects with a Quasi-3-D Multiscale Modeling Framework: Basic algorithm and preliminary results

DOE PAGES

Jung, Joon -Hee

2016-10-11

Here, the global atmospheric models based on the Multi-scale Modeling Framework (MMF) are able to explicitly resolve subgrid-scale processes by using embedded 2-D Cloud-Resolving Models (CRMs). Up to now, however, those models do not include the orographic effects on the CRM grid scale. This study shows that the effects of CRM grid-scale orography can be simulated reasonably well by the Quasi-3-D MMF (Q3D MMF), which has been developed as a second-generation MMF. In the Q3D framework, the surface topography can be included in the CRM component by using a block representation of the mountains, so that no smoothing of themore » topographic height is necessary. To demonstrate the performance of such a model, the orographic effects over a steep mountain are simulated in an idealized experimental setup with each of the Q3D MMF and the full 3-D CRM. The latter is used as a benchmark. Comparison of the results shows that the Q3D MMF is able to reproduce the horizontal distribution of orographic precipitation and the flow changes around mountains as simulated by the 3-D CRM, even though the embedded CRMs of the Q3D MMF recognize only some aspects of the complex 3-D topography. It is also shown that the use of 3-D CRMs in the Q3D framework, rather than 2-D CRMs, has positive impacts on the simulation of wind fields but does not substantially change the simulated precipitation.« less

Simulation of orographic effects with a Quasi-3-D Multiscale Modeling Framework: Basic algorithm and preliminary results

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

Jung, Joon -Hee

Here, the global atmospheric models based on the Multi-scale Modeling Framework (MMF) are able to explicitly resolve subgrid-scale processes by using embedded 2-D Cloud-Resolving Models (CRMs). Up to now, however, those models do not include the orographic effects on the CRM grid scale. This study shows that the effects of CRM grid-scale orography can be simulated reasonably well by the Quasi-3-D MMF (Q3D MMF), which has been developed as a second-generation MMF. In the Q3D framework, the surface topography can be included in the CRM component by using a block representation of the mountains, so that no smoothing of themore » topographic height is necessary. To demonstrate the performance of such a model, the orographic effects over a steep mountain are simulated in an idealized experimental setup with each of the Q3D MMF and the full 3-D CRM. The latter is used as a benchmark. Comparison of the results shows that the Q3D MMF is able to reproduce the horizontal distribution of orographic precipitation and the flow changes around mountains as simulated by the 3-D CRM, even though the embedded CRMs of the Q3D MMF recognize only some aspects of the complex 3-D topography. It is also shown that the use of 3-D CRMs in the Q3D framework, rather than 2-D CRMs, has positive impacts on the simulation of wind fields but does not substantially change the simulated precipitation.« less

Simulation of orographic effects with a Quasi-3-D Multiscale Modeling Framework: Basic algorithm and preliminary results

NASA Astrophysics Data System (ADS)

Jung, Joon-Hee

2016-12-01

The global atmospheric models based on the Multi-scale Modeling Framework (MMF) are able to explicitly resolve subgrid-scale processes by using embedded 2-D Cloud-Resolving Models (CRMs). Up to now, however, those models do not include the orographic effects on the CRM grid scale. This study shows that the effects of CRM grid-scale orography can be simulated reasonably well by the Quasi-3-D MMF (Q3D MMF), which has been developed as a second-generation MMF. In the Q3D framework, the surface topography can be included in the CRM component by using a block representation of the mountains, so that no smoothing of the topographic height is necessary. To demonstrate the performance of such a model, the orographic effects over a steep mountain are simulated in an idealized experimental setup with each of the Q3D MMF and the full 3-D CRM. The latter is used as a benchmark. Comparison of the results shows that the Q3D MMF is able to reproduce the horizontal distribution of orographic precipitation and the flow changes around mountains as simulated by the 3-D CRM, even though the embedded CRMs of the Q3D MMF recognize only some aspects of the complex 3-D topography. It is also shown that the use of 3-D CRMs in the Q3D framework, rather than 2-D CRMs, has positive impacts on the simulation of wind fields but does not substantially change the simulated precipitation.

Development, Validation, and Application of OSSEs at NASA/GMAO

NASA Technical Reports Server (NTRS)

Errico, Ronald; Prive, Nikki

2015-01-01

During the past several years, NASA Goddard's Global Modeling and Assimilation Office (GMAO) has been developing a framework for conducting Observing System Simulation Experiments (OSSEs). The motivation and design of that framework will be described and a sample of validation results presented. Fundamentals issues will be highlighted, particularly the critical importance of appropriately simulating system errors. Some problems that have just arisen in the newest experimental system will also be mentioned.

A Framework for Testing Scientific Software: A Case Study of Testing Amsterdam Discrete Dipole Approximation Software

NASA Astrophysics Data System (ADS)

Shao, Hongbing

Software testing with scientific software systems often suffers from test oracle problem, i.e., lack of test oracles. Amsterdam discrete dipole approximation code (ADDA) is a scientific software system that can be used to simulate light scattering of scatterers of various types. Testing of ADDA suffers from "test oracle problem". In this thesis work, I established a testing framework to test scientific software systems and evaluated this framework using ADDA as a case study. To test ADDA, I first used CMMIE code as the pseudo oracle to test ADDA in simulating light scattering of a homogeneous sphere scatterer. Comparable results were obtained between ADDA and CMMIE code. This validated ADDA for use with homogeneous sphere scatterers. Then I used experimental result obtained for light scattering of a homogeneous sphere to validate use of ADDA with sphere scatterers. ADDA produced light scattering simulation comparable to the experimentally measured result. This further validated the use of ADDA for simulating light scattering of sphere scatterers. Then I used metamorphic testing to generate test cases covering scatterers of various geometries, orientations, homogeneity or non-homogeneity. ADDA was tested under each of these test cases and all tests passed. The use of statistical analysis together with metamorphic testing is discussed as a future direction. In short, using ADDA as a case study, I established a testing framework, including use of pseudo oracles, experimental results and the metamorphic testing techniques to test scientific software systems that suffer from test oracle problems. Each of these techniques is necessary and contributes to the testing of the software under test.

On the performance of Cu-BTC metal organic framework for carbon tetrachloride gas removal.

PubMed

Calero, Sofía; Martín-Calvo, Ana; Hamad, Said; García-Pérez, Elena

2011-01-07

The performance of Cu-BTC metal organic framework for carbon tetrachloride removal from air has been studied using molecular simulations. According to our results, this material shows extremely high adsorption selectivity in favour of carbon tetrachloride. We demonstrate that this selectivity can be further enhanced by selective blockage of the framework.

Interpreting the NLN Jeffries Framework in the context of Nurse Educator preparation.

PubMed

Young, Patricia K; Shellenbarger, Teresa

2012-08-01

The NLN Jeffries Framework describing simulation in nursing education has been used widely to guide construction of human patient simulation scenarios and serve as a theoretical framework for research on the use of simulation. This framework was developed with a focus on prelicensure nursing education. However, use of human patient simulation scenarios is also a way of providing practice experiences for graduate students learning the educator role. High-fidelity human patient simulation offers nurse educator faculty a unique opportunity to cultivate the practical knowledge of teaching in an interactive and dynamic environment. This article describes how the components of The NLN Jeffries Framework can help to guide simulation design for nurse educator preparation. Adapting the components of the framework-which include teacher, student, educational practices, design characteristics, and outcomes-helps to ensure that future faculty gain hands-on experience with nurse educator core competencies. Copyright 2012, SLACK Incorporated.

Dyadic brain modelling, mirror systems and the ontogenetic ritualization of ape gesture

PubMed Central

Arbib, Michael; Ganesh, Varsha; Gasser, Brad

2014-01-01

The paper introduces dyadic brain modelling, offering both a framework for modelling the brains of interacting agents and a general framework for simulating and visualizing the interactions generated when the brains (and the two bodies) are each coded up in computational detail. It models selected neural mechanisms in ape brains supportive of social interactions, including putative mirror neuron systems inspired by macaque neurophysiology but augmented by increased access to proprioceptive state. Simulation results for a reduced version of the model show ritualized gesture emerging from interactions between a simulated child and mother ape. PMID:24778382

Dyadic brain modelling, mirror systems and the ontogenetic ritualization of ape gesture.

PubMed

Arbib, Michael; Ganesh, Varsha; Gasser, Brad

2014-01-01

The paper introduces dyadic brain modelling, offering both a framework for modelling the brains of interacting agents and a general framework for simulating and visualizing the interactions generated when the brains (and the two bodies) are each coded up in computational detail. It models selected neural mechanisms in ape brains supportive of social interactions, including putative mirror neuron systems inspired by macaque neurophysiology but augmented by increased access to proprioceptive state. Simulation results for a reduced version of the model show ritualized gesture emerging from interactions between a simulated child and mother ape.

Connecting heterogeneous single slip to diffraction peak evolution in high-energy monochromatic X-ray experiments

PubMed Central

Pagan, Darren C.; Miller, Matthew P.

2014-01-01

A forward modeling diffraction framework is introduced and employed to identify slip system activity in high-energy diffraction microscopy (HEDM) experiments. In the framework, diffraction simulations are conducted on virtual mosaic crystals with orientation gradients consistent with Nye’s model of heterogeneous single slip. Simulated diffraction peaks are then compared against experimental measurements to identify slip system activity. Simulation results compared against diffraction data measured in situ from a silicon single-crystal specimen plastically deformed under single-slip conditions indicate that slip system activity can be identified during HEDM experiments. PMID:24904242

Evaluation of automated decisionmaking methodologies and development of an integrated robotic system simulation. Volume 1: Study results

NASA Technical Reports Server (NTRS)

Lowrie, J. W.; Fermelia, A. J.; Haley, D. C.; Gremban, K. D.; Vanbaalen, J.; Walsh, R. W.

1982-01-01

A variety of artificial intelligence techniques which could be used with regard to NASA space applications and robotics were evaluated. The techniques studied were decision tree manipulators, problem solvers, rule based systems, logic programming languages, representation language languages, and expert systems. The overall structure of a robotic simulation tool was defined and a framework for that tool developed. Nonlinear and linearized dynamics equations were formulated for n link manipulator configurations. A framework for the robotic simulation was established which uses validated manipulator component models connected according to a user defined configuration.

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.

A Systems Approach to Designing Effective Clinical Trials Using Simulations

PubMed Central

Fusaro, Vincent A.; Patil, Prasad; Chi, Chih-Lin; Contant, Charles F.; Tonellato, Peter J.

2013-01-01

Background Pharmacogenetics in warfarin clinical trials have failed to show a significant benefit compared to standard clinical therapy. This study demonstrates a computational framework to systematically evaluate pre-clinical trial design of target population, pharmacogenetic algorithms, and dosing protocols to optimize primary outcomes. Methods and Results We programmatically created an end-to-end framework that systematically evaluates warfarin clinical trial designs. The framework includes options to create a patient population, multiple dosing strategies including genetic-based and non-genetic clinical-based, multiple dose adjustment protocols, pharmacokinetic/pharmacodynamics (PK/PD) modeling and international normalization ratio (INR) prediction, as well as various types of outcome measures. We validated the framework by conducting 1,000 simulations of the CoumaGen clinical trial primary endpoints. The simulation predicted a mean time in therapeutic range (TTR) of 70.6% and 72.2% (P = 0.47) in the standard and pharmacogenetic arms, respectively. Then, we evaluated another dosing protocol under the same original conditions and found a significant difference in TTR between the pharmacogenetic and standard arm (78.8% vs. 73.8%; P = 0.0065), respectively. Conclusions We demonstrate that this simulation framework is useful in the pre-clinical assessment phase to study and evaluate design options and provide evidence to optimize the clinical trial for patient efficacy and reduced risk. PMID:23261867

A framework using cluster-based hybrid network architecture for collaborative virtual surgery.

PubMed

Qin, Jing; Choi, Kup-Sze; Poon, Wai-Sang; Heng, Pheng-Ann

2009-12-01

Research on collaborative virtual environments (CVEs) opens the opportunity for simulating the cooperative work in surgical operations. It is however a challenging task to implement a high performance collaborative surgical simulation system because of the difficulty in maintaining state consistency with minimum network latencies, especially when sophisticated deformable models and haptics are involved. In this paper, an integrated framework using cluster-based hybrid network architecture is proposed to support collaborative virtual surgery. Multicast transmission is employed to transmit updated information among participants in order to reduce network latencies, while system consistency is maintained by an administrative server. Reliable multicast is implemented using distributed message acknowledgment based on cluster cooperation and sliding window technique. The robustness of the framework is guaranteed by the failure detection chain which enables smooth transition when participants join and leave the collaboration, including normal and involuntary leaving. Communication overhead is further reduced by implementing a number of management approaches such as computational policies and collaborative mechanisms. The feasibility of the proposed framework is demonstrated by successfully extending an existing standalone orthopedic surgery trainer into a collaborative simulation system. A series of experiments have been conducted to evaluate the system performance. The results demonstrate that the proposed framework is capable of supporting collaborative surgical simulation.

Numerical Coupling and Simulation of Point-Mass System with the Turbulent Fluid Flow

NASA Astrophysics Data System (ADS)

Gao, Zheng

A computational framework that combines the Eulerian description of the turbulence field with a Lagrangian point-mass ensemble is proposed in this dissertation. Depending on the Reynolds number, the turbulence field is simulated using Direct Numerical Simulation (DNS) or eddy viscosity model. In the meanwhile, the particle system, such as spring-mass system and cloud droplets, are modeled using the ordinary differential system, which is stiff and hence poses a challenge to the stability of the entire system. This computational framework is applied to the numerical study of parachute deceleration and cloud microphysics. These two distinct problems can be uniformly modeled with Partial Differential Equations (PDEs) and Ordinary Differential Equations (ODEs), and numerically solved in the same framework. For the parachute simulation, a novel porosity model is proposed to simulate the porous effects of the parachute canopy. This model is easy to implement with the projection method and is able to reproduce Darcy's law observed in the experiment. Moreover, the impacts of using different versions of k-epsilon turbulence model in the parachute simulation have been investigated and conclude that the standard and Re-Normalisation Group (RNG) model may overestimate the turbulence effects when Reynolds number is small while the Realizable model has a consistent performance with both large and small Reynolds number. For another application, cloud microphysics, the cloud entrainment-mixing problem is studied in the same numerical framework. Three sets of DNS are carried out with both decaying and forced turbulence. The numerical result suggests a new way parameterize the cloud mixing degree using the dynamical measures. The numerical experiments also verify the negative relationship between the droplets number concentration and the vorticity field. The results imply that the gravity has fewer impacts on the forced turbulence than the decaying turbulence. In summary, the proposed framework can be used to solve a physics problem that involves turbulence field and point-mass system, and therefore has a broad application.

Detection of an explosive simulant via electrical impedance spectroscopy utilizing the UiO-66-NH2 metal-organic framework.

PubMed

Peterson, G W; McEntee, M; Harris, C R; Klevitch, A D; Fountain, A W; Soliz, J R; Balboa, A; Hauser, A J

2016-11-01

Electrical impedance spectroscopy, in conjunction with the metal-organic framework (MOF) UiO-66-NH 2 , is used to detect trace levels of the explosive simulant 2,6-dinitrotoluene. The combination of porosity and functionality of the MOF provides an effective dielectric structure, resulting in changes of impedance magnitude and phase angle. The promising data indicate that MOFs may be used in low-cost, robust explosive detection devices.

A Computational Framework for Bioimaging Simulation.

PubMed

Watabe, Masaki; Arjunan, Satya N V; Fukushima, Seiya; Iwamoto, Kazunari; Kozuka, Jun; Matsuoka, Satomi; Shindo, Yuki; Ueda, Masahiro; Takahashi, Koichi

2015-01-01

Using bioimaging technology, biologists have attempted to identify and document analytical interpretations that underlie biological phenomena in biological cells. Theoretical biology aims at distilling those interpretations into knowledge in the mathematical form of biochemical reaction networks and understanding how higher level functions emerge from the combined action of biomolecules. However, there still remain formidable challenges in bridging the gap between bioimaging and mathematical modeling. Generally, measurements using fluorescence microscopy systems are influenced by systematic effects that arise from stochastic nature of biological cells, the imaging apparatus, and optical physics. Such systematic effects are always present in all bioimaging systems and hinder quantitative comparison between the cell model and bioimages. Computational tools for such a comparison are still unavailable. Thus, in this work, we present a computational framework for handling the parameters of the cell models and the optical physics governing bioimaging systems. Simulation using this framework can generate digital images of cell simulation results after accounting for the systematic effects. We then demonstrate that such a framework enables comparison at the level of photon-counting units.

A Cellular Automaton Framework for Infectious Disease Spread Simulation

PubMed Central

Pfeifer, Bernhard; Kugler, Karl; Tejada, Maria M; Baumgartner, Christian; Seger, Michael; Osl, Melanie; Netzer, Michael; Handler, Michael; Dander, Andreas; Wurz, Manfred; Graber, Armin; Tilg, Bernhard

2008-01-01

In this paper, a cellular automaton framework for processing the spatiotemporal spread of infectious diseases is presented. The developed environment simulates and visualizes how infectious diseases might spread, and hence provides a powerful instrument for health care organizations to generate disease prevention and contingency plans. In this study, the outbreak of an avian flu like virus was modeled in the state of Tyrol, and various scenarios such as quarantine, effect of different medications on viral spread and changes of social behavior were simulated. The proposed framework is implemented using the programming language Java. The set up of the simulation environment requires specification of the disease parameters and the geographical information using a population density colored map, enriched with demographic data. The results of the numerical simulations and the analysis of the computed parameters will be used to get a deeper understanding of how the disease spreading mechanisms work, and how to protect the population from contracting the disease. Strategies for optimization of medical treatment and vaccination regimens will also be investigated using our cellular automaton framework. In this study, six different scenarios were simulated. It showed that geographical barriers may help to slow down the spread of an infectious disease, however, when an aggressive and deadly communicable disease spreads, only quarantine and controlled medical treatment are able to stop the outbreak, if at all. PMID:19415136

A GPU-based framework for modeling real-time 3D lung tumor conformal dosimetry with subject-specific lung tumor motion.

PubMed

Min, Yugang; Santhanam, Anand; Neelakkantan, Harini; Ruddy, Bari H; Meeks, Sanford L; Kupelian, Patrick A

2010-09-07

In this paper, we present a graphics processing unit (GPU)-based simulation framework to calculate the delivered dose to a 3D moving lung tumor and its surrounding normal tissues, which are undergoing subject-specific lung deformations. The GPU-based simulation framework models the motion of the 3D volumetric lung tumor and its surrounding tissues, simulates the dose delivery using the dose extracted from a treatment plan using Pinnacle Treatment Planning System, Phillips, for one of the 3DCTs of the 4DCT and predicts the amount and location of radiation doses deposited inside the lung. The 4DCT lung datasets were registered with each other using a modified optical flow algorithm. The motion of the tumor and the motion of the surrounding tissues were simulated by measuring the changes in lung volume during the radiotherapy treatment using spirometry. The real-time dose delivered to the tumor for each beam is generated by summing the dose delivered to the target volume at each increase in lung volume during the beam delivery time period. The simulation results showed the real-time capability of the framework at 20 discrete tumor motion steps per breath, which is higher than the number of 4DCT steps (approximately 12) reconstructed during multiple breathing cycles.

Reusable Component Model Development Approach for Parallel and Distributed Simulation

PubMed Central

Zhu, Feng; Yao, Yiping; Chen, Huilong; Yao, Feng

2014-01-01

Model reuse is a key issue to be resolved in parallel and distributed simulation at present. However, component models built by different domain experts usually have diversiform interfaces, couple tightly, and bind with simulation platforms closely. As a result, they are difficult to be reused across different simulation platforms and applications. To address the problem, this paper first proposed a reusable component model framework. Based on this framework, then our reusable model development approach is elaborated, which contains two phases: (1) domain experts create simulation computational modules observing three principles to achieve their independence; (2) model developer encapsulates these simulation computational modules with six standard service interfaces to improve their reusability. The case study of a radar model indicates that the model developed using our approach has good reusability and it is easy to be used in different simulation platforms and applications. PMID:24729751

A Modular Simulation Framework for Assessing Swarm Search Models

DTIC Science & Technology

2014-09-01

SUBTITLE A MODULAR SIMULATION FRAMEWORK FOR ASSESSING SWARM SEARCH MODELS 5. FUNDING NUMBERS 6. AUTHOR(S) Blake M. Wanier 7. PERFORMING ORGANIZATION...Numerical studies demonstrate the ability to leverage the developed simulation and analysis framework to investigate three canonical swarm search models ...as benchmarks for future exploration of more sophisticated swarm search scenarios. 14. SUBJECT TERMS Swarm Search, Search Theory, Modeling Framework

Small-scale multi-axial hybrid simulation of a shear-critical reinforced concrete frame

NASA Astrophysics Data System (ADS)

Sadeghian, Vahid; Kwon, Oh-Sung; Vecchio, Frank

2017-10-01

This study presents a numerical multi-scale simulation framework which is extended to accommodate hybrid simulation (numerical-experimental integration). The framework is enhanced with a standardized data exchange format and connected to a generalized controller interface program which facilitates communication with various types of laboratory equipment and testing configurations. A small-scale experimental program was conducted using a six degree-of-freedom hydraulic testing equipment to verify the proposed framework and provide additional data for small-scale testing of shearcritical reinforced concrete structures. The specimens were tested in a multi-axial hybrid simulation manner under a reversed cyclic loading condition simulating earthquake forces. The physical models were 1/3.23-scale representations of a beam and two columns. A mixed-type modelling technique was employed to analyze the remainder of the structures. The hybrid simulation results were compared against those obtained from a large-scale test and finite element analyses. The study found that if precautions are taken in preparing model materials and if the shear-related mechanisms are accurately considered in the numerical model, small-scale hybrid simulations can adequately simulate the behaviour of shear-critical structures. Although the findings of the study are promising, to draw general conclusions additional test data are required.

Self-organizing network services with evolutionary adaptation.

PubMed

Nakano, Tadashi; Suda, Tatsuya

2005-09-01

This paper proposes a novel framework for developing adaptive and scalable network services. In the proposed framework, a network service is implemented as a group of autonomous agents that interact in the network environment. Agents in the proposed framework are autonomous and capable of simple behaviors (e.g., replication, migration, and death). In this paper, an evolutionary adaptation mechanism is designed using genetic algorithms (GAs) for agents to evolve their behaviors and improve their fitness values (e.g., response time to a service request) to the environment. The proposed framework is evaluated through simulations, and the simulation results demonstrate the ability of autonomous agents to adapt to the network environment. The proposed framework may be suitable for disseminating network services in dynamic and large-scale networks where a large number of data and services need to be replicated, moved, and deleted in a decentralized manner.

Quantifying uncertainty and computational complexity for pore-scale simulations

NASA Astrophysics Data System (ADS)

Chen, C.; Yuan, Z.; Wang, P.; Yang, X.; Zhenyan, L.

2016-12-01

Pore-scale simulation is an essential tool to understand the complex physical process in many environmental problems, from multi-phase flow in the subsurface to fuel cells. However, in practice, factors such as sample heterogeneity, data sparsity and in general, our insufficient knowledge of the underlying process, render many simulation parameters and hence the prediction results uncertain. Meanwhile, most pore-scale simulations (in particular, direct numerical simulation) incur high computational cost due to finely-resolved spatio-temporal scales, which further limits our data/samples collection. To address those challenges, we propose a novel framework based on the general polynomial chaos (gPC) and build a surrogate model representing the essential features of the underlying system. To be specific, we apply the novel framework to analyze the uncertainties of the system behavior based on a series of pore-scale numerical experiments, such as flow and reactive transport in 2D heterogeneous porous media and 3D packed beds. Comparing with recent pore-scale uncertainty quantification studies using Monte Carlo techniques, our new framework requires fewer number of realizations and hence considerably reduce the overall computational cost, while maintaining the desired accuracy.

Interventional radiology virtual simulator for liver biopsy.

PubMed

Villard, P F; Vidal, F P; ap Cenydd, L; Holbrey, R; Pisharody, S; Johnson, S; Bulpitt, A; John, N W; Bello, F; Gould, D

2014-03-01

Training in Interventional Radiology currently uses the apprenticeship model, where clinical and technical skills of invasive procedures are learnt during practice in patients. This apprenticeship training method is increasingly limited by regulatory restrictions on working hours, concerns over patient risk through trainees' inexperience and the variable exposure to case mix and emergencies during training. To address this, we have developed a computer-based simulation of visceral needle puncture procedures. A real-time framework has been built that includes: segmentation, physically based modelling, haptics rendering, pseudo-ultrasound generation and the concept of a physical mannequin. It is the result of a close collaboration between different universities, involving computer scientists, clinicians, clinical engineers and occupational psychologists. The technical implementation of the framework is a robust and real-time simulation environment combining a physical platform and an immersive computerized virtual environment. The face, content and construct validation have been previously assessed, showing the reliability and effectiveness of this framework, as well as its potential for teaching visceral needle puncture. A simulator for ultrasound-guided liver biopsy has been developed. It includes functionalities and metrics extracted from cognitive task analysis. This framework can be useful during training, particularly given the known difficulties in gaining significant practice of core skills in patients.

A smoothed particle hydrodynamics framework for modelling multiphase interactions at meso-scale

NASA Astrophysics Data System (ADS)

Li, Ling; Shen, Luming; Nguyen, Giang D.; El-Zein, Abbas; Maggi, Federico

2018-01-01

A smoothed particle hydrodynamics (SPH) framework is developed for modelling multiphase interactions at meso-scale, including the liquid-solid interaction induced deformation of the solid phase. With an inter-particle force formulation that mimics the inter-atomic force in molecular dynamics, the proposed framework includes the long-range attractions between particles, and more importantly, the short-range repulsive forces to avoid particle clustering and instability problems. Three-dimensional numerical studies have been conducted to demonstrate the capabilities of the proposed framework to quantitatively replicate the surface tension of water, to model the interactions between immiscible liquids and solid, and more importantly, to simultaneously model the deformation of solid and liquid induced by the multiphase interaction. By varying inter-particle potential magnitude, the proposed SPH framework has successfully simulated various wetting properties ranging from hydrophobic to hydrophilic surfaces. The simulation results demonstrate the potential of the proposed framework to genuinely study complex multiphase interactions in wet granular media.

Iterative repair for scheduling and rescheduling

NASA Technical Reports Server (NTRS)

Zweben, Monte; Davis, Eugene; Deale, Michael

1991-01-01

An iterative repair search method is described called constraint based simulated annealing. Simulated annealing is a hill climbing search technique capable of escaping local minima. The utility of the constraint based framework is shown by comparing search performance with and without the constraint framework on a suite of randomly generated problems. Results are also shown of applying the technique to the NASA Space Shuttle ground processing problem. These experiments show that the search methods scales to complex, real world problems and reflects interesting anytime behavior.

2013 strategic petroleum reserve big hill well integrity grading report.

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

Lord, David L.; Roberts, Barry L.; Lord, Anna C. Snider

2014-02-01

This report summarizes the work performed in developing a framework for the prioritization of cavern access wells for remediation and monitoring at the Big Hill Strategic Petroleum Reserve site. This framework was then applied to all 28 wells at the Big Hill site with each well receiving a grade for remediation and monitoring. Numerous factors affecting well integrity were incorporated into the grading framework including casing survey results, cavern pressure history, results from geomechanical simulations, and site geologic factors. The framework was developed in a way as to be applicable to all four of the Strategic Petroleum Reserve sites.

3D numerical simulations of oblique droplet impact onto a deep liquid pool

NASA Astrophysics Data System (ADS)

Gelderblom, Hanneke; Reijers, Sten A.; Gielen, Marise; Sleutel, Pascal; Lohse, Detlef; Xie, Zhihua; Pain, Christopher C.; Matar, Omar K.

2017-11-01

We study the fluid dynamics of three-dimensional oblique droplet impact, which results in phenomena that include splashing and cavity formation. An adaptive, unstructured mesh modelling framework is employed here, which can modify and adapt unstructured meshes to better represent the underlying physics of droplet dynamics, and reduce computational effort without sacrificing accuracy. The numerical framework consists of a mixed control-volume and finite-element formulation, a volume-of-fluid-type method for the interface-capturing based on a compressive control-volume advection method. The framework also features second-order finite-element methods, and a force-balanced algorithm for the surface tension implementation, minimising the spurious velocities often found in many simulations involving capillary-driven flows. The numerical results generated using this framework are compared with high-speed images of the interfacial shapes of the deformed droplet, and the cavity formed upon impact, yielding good agreement. EPSRC, UK, MEMPHIS program Grant (EP/K003976/1), RAEng Research Chair (OKM).

Framework of passive millimeter-wave scene simulation based on material classification

NASA Astrophysics Data System (ADS)

Park, Hyuk; Kim, Sung-Hyun; Lee, Ho-Jin; Kim, Yong-Hoon; Ki, Jae-Sug; Yoon, In-Bok; Lee, Jung-Min; Park, Soon-Jun

2006-05-01

Over the past few decades, passive millimeter-wave (PMMW) sensors have emerged as useful implements in transportation and military applications such as autonomous flight-landing system, smart weapons, night- and all weather vision system. As an efficient way to predict the performance of a PMMW sensor and apply it to system, it is required to test in SoftWare-In-the-Loop (SWIL). The PMMW scene simulation is a key component for implementation of this simulator. However, there is no commercial on-the-shelf available to construct the PMMW scene simulation; only there have been a few studies on this technology. We have studied the PMMW scene simulation method to develop the PMMW sensor SWIL simulator. This paper describes the framework of the PMMW scene simulation and the tentative results. The purpose of the PMMW scene simulation is to generate sensor outputs (or image) from a visible image and environmental conditions. We organize it into four parts; material classification mapping, PMMW environmental setting, PMMW scene forming, and millimeter-wave (MMW) sensorworks. The background and the objects in the scene are classified based on properties related with MMW radiation and reflectivity. The environmental setting part calculates the following PMMW phenomenology; atmospheric propagation and emission including sky temperature, weather conditions, and physical temperature. Then, PMMW raw images are formed with surface geometry. Finally, PMMW sensor outputs are generated from PMMW raw images by applying the sensor characteristics such as an aperture size and noise level. Through the simulation process, PMMW phenomenology and sensor characteristics are simulated on the output scene. We have finished the design of framework of the simulator, and are working on implementation in detail. As a tentative result, the flight observation was simulated in specific conditions. After implementation details, we plan to increase the reliability of the simulation by data collecting using actual PMMW sensors. With the reliable PMMW scene simulator, it will be more efficient to apply the PMMW sensor to various applications.

Simulation Framework for Intelligent Transportation Systems

DOT National Transportation Integrated Search

1996-10-01

A simulation framework has been developed for a large-scale, comprehensive, scaleable simulation of an Intelligent Transportation System. The simulator is designed for running on parellel computers and distributed (networked) computer systems, but ca...

Extending the FairRoot framework to allow for simulation and reconstruction of free streaming data

NASA Astrophysics Data System (ADS)

Al-Turany, M.; Klein, D.; Manafov, A.; Rybalchenko, A.; Uhlig, F.

2014-06-01

The FairRoot framework is the standard framework for simulation, reconstruction and data analysis for the FAIR experiments. The framework is designed to optimise the accessibility for beginners and developers, to be flexible and to cope with future developments. FairRoot enhances the synergy between the different physics experiments. As a first step toward simulation of free streaming data, the time based simulation was introduced to the framework. The next step is the event source simulation. This is achieved via a client server system. After digitization the so called "samplers" can be started, where sampler can read the data of the corresponding detector from the simulation files and make it available for the reconstruction clients. The system makes it possible to develop and validate the online reconstruction algorithms. In this work, the design and implementation of the new architecture and the communication layer will be described.

COMPUTERIZED TRAINING OF CRYOSURGERY – A SYSTEM APPROACH

PubMed Central

Keelan, Robert; Yamakawa, Soji; Shimada, Kenji; Rabin, Yoed

2014-01-01

The objective of the current study is to provide the foundation for a computerized training platform for cryosurgery. Consistent with clinical practice, the training process targets the correlation of the frozen region contour with the target region shape, using medical imaging and accepted criteria for clinical success. The current study focuses on system design considerations, including a bioheat transfer model, simulation techniques, optimal cryoprobe layout strategy, and a simulation core framework. Two fundamentally different approaches were considered for the development of a cryosurgery simulator, based on a finite-elements (FE) commercial code (ANSYS) and a proprietary finite-difference (FD) code. Results of this study demonstrate that the FE simulator is superior in terms of geometric modeling, while the FD simulator is superior in terms of runtime. Benchmarking results further indicate that the FD simulator is superior in terms of usage of memory resources, pre-processing, parallel processing, and post-processing. It is envisioned that future integration of a human-interface module and clinical data into the proposed computer framework will make computerized training of cryosurgery a practical reality. PMID:23995400

Entity-Centric Abstraction and Modeling Framework for Transportation Architectures

NASA Technical Reports Server (NTRS)

Lewe, Jung-Ho; DeLaurentis, Daniel A.; Mavris, Dimitri N.; Schrage, Daniel P.

2007-01-01

A comprehensive framework for representing transpportation architectures is presented. After discussing a series of preceding perspectives and formulations, the intellectual underpinning of the novel framework using an entity-centric abstraction of transportation is described. The entities include endogenous and exogenous factors and functional expressions are offered that relate these and their evolution. The end result is a Transportation Architecture Field which permits analysis of future concepts under the holistic perspective. A simulation model which stems from the framework is presented and exercised producing results which quantify improvements in air transportation due to advanced aircraft technologies. Finally, a modeling hypothesis and its accompanying criteria are proposed to test further use of the framework for evaluating new transportation solutions.

Argonne Simulation Framework for Intelligent Transportation Systems

DOT National Transportation Integrated Search

1996-01-01

A simulation framework has been developed which defines a high-level architecture for a large-scale, comprehensive, scalable simulation of an Intelligent Transportation System (ITS). The simulator is designed to run on parallel computers and distribu...

Dshell++: A Component Based, Reusable Space System Simulation Framework

NASA Technical Reports Server (NTRS)

Lim, Christopher S.; Jain, Abhinandan

2009-01-01

This paper describes the multi-mission Dshell++ simulation framework for high fidelity, physics-based simulation of spacecraft, robotic manipulation and mobility systems. Dshell++ is a C++/Python library which uses modern script driven object-oriented techniques to allow component reuse and a dynamic run-time interface for complex, high-fidelity simulation of spacecraft and robotic systems. The goal of the Dshell++ architecture is to manage the inherent complexity of physicsbased simulations while supporting component model reuse across missions. The framework provides several features that support a large degree of simulation configurability and usability.

NEVESIM: event-driven neural simulation framework with a Python interface.

PubMed

Pecevski, Dejan; Kappel, David; Jonke, Zeno

2014-01-01

NEVESIM is a software package for event-driven simulation of networks of spiking neurons with a fast simulation core in C++, and a scripting user interface in the Python programming language. It supports simulation of heterogeneous networks with different types of neurons and synapses, and can be easily extended by the user with new neuron and synapse types. To enable heterogeneous networks and extensibility, NEVESIM is designed to decouple the simulation logic of communicating events (spikes) between the neurons at a network level from the implementation of the internal dynamics of individual neurons. In this paper we will present the simulation framework of NEVESIM, its concepts and features, as well as some aspects of the object-oriented design approaches and simulation strategies that were utilized to efficiently implement the concepts and functionalities of the framework. We will also give an overview of the Python user interface, its basic commands and constructs, and also discuss the benefits of integrating NEVESIM with Python. One of the valuable capabilities of the simulator is to simulate exactly and efficiently networks of stochastic spiking neurons from the recently developed theoretical framework of neural sampling. This functionality was implemented as an extension on top of the basic NEVESIM framework. Altogether, the intended purpose of the NEVESIM framework is to provide a basis for further extensions that support simulation of various neural network models incorporating different neuron and synapse types that can potentially also use different simulation strategies.

NEVESIM: event-driven neural simulation framework with a Python interface

PubMed Central

Pecevski, Dejan; Kappel, David; Jonke, Zeno

2014-01-01

NEVESIM is a software package for event-driven simulation of networks of spiking neurons with a fast simulation core in C++, and a scripting user interface in the Python programming language. It supports simulation of heterogeneous networks with different types of neurons and synapses, and can be easily extended by the user with new neuron and synapse types. To enable heterogeneous networks and extensibility, NEVESIM is designed to decouple the simulation logic of communicating events (spikes) between the neurons at a network level from the implementation of the internal dynamics of individual neurons. In this paper we will present the simulation framework of NEVESIM, its concepts and features, as well as some aspects of the object-oriented design approaches and simulation strategies that were utilized to efficiently implement the concepts and functionalities of the framework. We will also give an overview of the Python user interface, its basic commands and constructs, and also discuss the benefits of integrating NEVESIM with Python. One of the valuable capabilities of the simulator is to simulate exactly and efficiently networks of stochastic spiking neurons from the recently developed theoretical framework of neural sampling. This functionality was implemented as an extension on top of the basic NEVESIM framework. Altogether, the intended purpose of the NEVESIM framework is to provide a basis for further extensions that support simulation of various neural network models incorporating different neuron and synapse types that can potentially also use different simulation strategies. PMID:25177291

From bricks to buildings: adapting the Medical Research Council framework to develop programs of research in simulation education and training for the health professions.

PubMed

Haji, Faizal A; Da Silva, Celina; Daigle, Delton T; Dubrowski, Adam

2014-08-01

Presently, health care simulation research is largely conducted on a study-by-study basis. Although such "project-based" research generates a plethora of evidence, it can be chaotic and contradictory. A move toward sustained, thematic, theory-based programs of research is necessary to advance knowledge in the field. Recognizing that simulation is a complex intervention, we present a framework for developing research programs in simulation-based education adapted from the Medical Research Council (MRC) guidance. This framework calls for an iterative approach to developing, refining, evaluating, and implementing simulation interventions. The adapted framework guidance emphasizes: (1) identification of theory and existing evidence; (2) modeling and piloting interventions to clarify active ingredients and identify mechanisms linking the context, intervention, and outcomes; and (3) evaluation of intervention processes and outcomes in both the laboratory and real-world setting. The proposed framework will aid simulation researchers in developing more robust interventions that optimize simulation-based education and advance our understanding of simulation pedagogy.

The Integrated Plasma Simulator: A Flexible Python Framework for Coupled Multiphysics Simulation

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

Foley, Samantha S; Elwasif, Wael R; Bernholdt, David E

2011-11-01

High-fidelity coupled multiphysics simulations are an increasingly important aspect of computational science. In many domains, however, there has been very limited experience with simulations of this sort, therefore research in coupled multiphysics often requires computational frameworks with significant flexibility to respond to the changing directions of the physics and mathematics. This paper presents the Integrated Plasma Simulator (IPS), a framework designed for loosely coupled simulations of fusion plasmas. The IPS provides users with a simple component architecture into which a wide range of existing plasma physics codes can be inserted as components. Simulations can take advantage of multiple levels ofmore » parallelism supported in the IPS, and can be controlled by a high-level ``driver'' component, or by other coordination mechanisms, such as an asynchronous event service. We describe the requirements and design of the framework, and how they were implemented in the Python language. We also illustrate the flexibility of the framework by providing examples of different types of simulations that utilize various features of the IPS.« less

A system for environmental model coupling and code reuse: The Great Rivers Project

NASA Astrophysics Data System (ADS)

Eckman, B.; Rice, J.; Treinish, L.; Barford, C.

2008-12-01

As part of the Great Rivers Project, IBM is collaborating with The Nature Conservancy and the Center for Sustainability and the Global Environment (SAGE) at the University of Wisconsin, Madison to build a Modeling Framework and Decision Support System (DSS) designed to help policy makers and a variety of stakeholders (farmers, fish & wildlife managers, hydropower operators, et al.) to assess, come to consensus, and act on land use decisions representing effective compromises between human use and ecosystem preservation/restoration. Initially focused on Brazil's Paraguay-Parana, China's Yangtze, and the Mississippi Basin in the US, the DSS integrates data and models from a wide variety of environmental sectors, including water balance, water quality, carbon balance, crop production, hydropower, and biodiversity. In this presentation we focus on the modeling framework aspect of this project. In our approach to these and other environmental modeling projects, we see a flexible, extensible modeling framework infrastructure for defining and running multi-step analytic simulations as critical. In this framework, we divide monolithic models into atomic components with clearly defined semantics encoded via rich metadata representation. Once models and their semantics and composition rules have been registered with the system by their authors or other experts, non-expert users may construct simulations as workflows of these atomic model components. A model composition engine enforces rules/constraints for composing model components into simulations, to avoid the creation of Frankenmodels, models that execute but produce scientifically invalid results. A common software environment and common representations of data and models are required, as well as an adapter strategy for code written in e.g., Fortran or python, that still enables efficient simulation runs, including parallelization. Since each new simulation, as a new composition of model components, requires calibration of parameters (fudge factors) to produce scientifically valid results, we are also developing an autocalibration engine. Finally, visualization is a key element of this modeling framework strategy, both to convey complex scientific data effectively, and also to enable non-expert users to make full use of the relevant features of the framework. We are developing a visualization environment with a strong data model, to enable visualizations, model results, and data all to be handled similarly.

Method for decreasing CT simulation time of complex phantoms and systems through separation of material specific projection data

NASA Astrophysics Data System (ADS)

Divel, Sarah E.; Christensen, Soren; Wintermark, Max; Lansberg, Maarten G.; Pelc, Norbert J.

2017-03-01

Computer simulation is a powerful tool in CT; however, long simulation times of complex phantoms and systems, especially when modeling many physical aspects (e.g., spectrum, finite detector and source size), hinder the ability to realistically and efficiently evaluate and optimize CT techniques. Long simulation times primarily result from the tracing of hundreds of line integrals through each of the hundreds of geometrical shapes defined within the phantom. However, when the goal is to perform dynamic simulations or test many scan protocols using a particular phantom, traditional simulation methods inefficiently and repeatedly calculate line integrals through the same set of structures although only a few parameters change in each new case. In this work, we have developed a new simulation framework that overcomes such inefficiencies by dividing the phantom into material specific regions with the same time attenuation profiles, acquiring and storing monoenergetic projections of the regions, and subsequently scaling and combining the projections to create equivalent polyenergetic sinograms. The simulation framework is especially efficient for the validation and optimization of CT perfusion which requires analysis of many stroke cases and testing hundreds of scan protocols on a realistic and complex numerical brain phantom. Using this updated framework to conduct a 31-time point simulation with 80 mm of z-coverage of a brain phantom on two 16-core Linux serves, we have reduced the simulation time from 62 hours to under 2.6 hours, a 95% reduction.

A Computational Framework for Bioimaging Simulation

PubMed Central

Watabe, Masaki; Arjunan, Satya N. V.; Fukushima, Seiya; Iwamoto, Kazunari; Kozuka, Jun; Matsuoka, Satomi; Shindo, Yuki; Ueda, Masahiro; Takahashi, Koichi

2015-01-01

Using bioimaging technology, biologists have attempted to identify and document analytical interpretations that underlie biological phenomena in biological cells. Theoretical biology aims at distilling those interpretations into knowledge in the mathematical form of biochemical reaction networks and understanding how higher level functions emerge from the combined action of biomolecules. However, there still remain formidable challenges in bridging the gap between bioimaging and mathematical modeling. Generally, measurements using fluorescence microscopy systems are influenced by systematic effects that arise from stochastic nature of biological cells, the imaging apparatus, and optical physics. Such systematic effects are always present in all bioimaging systems and hinder quantitative comparison between the cell model and bioimages. Computational tools for such a comparison are still unavailable. Thus, in this work, we present a computational framework for handling the parameters of the cell models and the optical physics governing bioimaging systems. Simulation using this framework can generate digital images of cell simulation results after accounting for the systematic effects. We then demonstrate that such a framework enables comparison at the level of photon-counting units. PMID:26147508

Interoperable Open-Source Sensor-Net Frameworks with Sensor-Package Workbench Capabilities: Motivation, Survey of Resources, and Exploratory Results

DTIC Science & Technology

2010-06-01

Military Scenario Definition Language (MSDL) for Nontraditional Warfare Scenarios," Paper 09S- SIW -001, Proceedings of the Spring Simulation...Update to the M&S Community," Paper 09S- SIW -002, Proceedings of the Spring Simulation Interoperability Workshop, Simulation Interoperability...Multiple Simulations: An Application of the Military Scenario Definition Language (MSDL)," Paper 09S- SIW -003, Proc. of the Spring Simulation

Quantifying and reducing model-form uncertainties in Reynolds-averaged Navier–Stokes simulations: A data-driven, physics-informed Bayesian approach

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

Xiao, H., E-mail: hengxiao@vt.edu; Wu, J.-L.; Wang, J.-X.

Despite their well-known limitations, Reynolds-Averaged Navier–Stokes (RANS) models are still the workhorse tools for turbulent flow simulations in today's engineering analysis, design and optimization. While the predictive capability of RANS models depends on many factors, for many practical flows the turbulence models are by far the largest source of uncertainty. As RANS models are used in the design and safety evaluation of many mission-critical systems such as airplanes and nuclear power plants, quantifying their model-form uncertainties has significant implications in enabling risk-informed decision-making. In this work we develop a data-driven, physics-informed Bayesian framework for quantifying model-form uncertainties in RANS simulations.more » Uncertainties are introduced directly to the Reynolds stresses and are represented with compact parameterization accounting for empirical prior knowledge and physical constraints (e.g., realizability, smoothness, and symmetry). An iterative ensemble Kalman method is used to assimilate the prior knowledge and observation data in a Bayesian framework, and to propagate them to posterior distributions of velocities and other Quantities of Interest (QoIs). We use two representative cases, the flow over periodic hills and the flow in a square duct, to evaluate the performance of the proposed framework. Both cases are challenging for standard RANS turbulence models. Simulation results suggest that, even with very sparse observations, the obtained posterior mean velocities and other QoIs have significantly better agreement with the benchmark data compared to the baseline results. At most locations the posterior distribution adequately captures the true model error within the developed model form uncertainty bounds. The framework is a major improvement over existing black-box, physics-neutral methods for model-form uncertainty quantification, where prior knowledge and details of the models are not exploited. This approach has potential implications in many fields in which the governing equations are well understood but the model uncertainty comes from unresolved physical processes. - Highlights: • Proposed a physics–informed framework to quantify uncertainty in RANS simulations. • Framework incorporates physical prior knowledge and observation data. • Based on a rigorous Bayesian framework yet fully utilizes physical model. • Applicable for many complex physical systems beyond turbulent flows.« less

Design of the HELICS High-Performance Transmission-Distribution-Communication-Market Co-Simulation Framework

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

Palmintier, Bryan S; Krishnamurthy, Dheepak; Top, Philip

This paper describes the design rationale for a new cyber-physical-energy co-simulation framework for electric power systems. This new framework will support very large-scale (100,000+ federates) co-simulations with off-the-shelf power-systems, communication, and end-use models. Other key features include cross-platform operating system support, integration of both event-driven (e.g. packetized communication) and time-series (e.g. power flow) simulation, and the ability to co-iterate among federates to ensure model convergence at each time step. After describing requirements, we begin by evaluating existing co-simulation frameworks, including HLA and FMI, and conclude that none provide the required features. Then we describe the design for the new layeredmore » co-simulation architecture.« less

Design of the HELICS High-Performance Transmission-Distribution-Communication-Market Co-Simulation Framework: Preprint

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

Palmintier, Bryan S; Krishnamurthy, Dheepak; Top, Philip

This paper describes the design rationale for a new cyber-physical-energy co-simulation framework for electric power systems. This new framework will support very large-scale (100,000+ federates) co-simulations with off-the-shelf power-systems, communication, and end-use models. Other key features include cross-platform operating system support, integration of both event-driven (e.g. packetized communication) and time-series (e.g. power flow) simulation, and the ability to co-iterate among federates to ensure model convergence at each time step. After describing requirements, we begin by evaluating existing co-simulation frameworks, including HLA and FMI, and conclude that none provide the required features. Then we describe the design for the new layeredmore » co-simulation architecture.« less

Observing System Simulation Experiments for Fun and Profit

NASA Technical Reports Server (NTRS)

Prive, Nikki C.

2015-01-01

Observing System Simulation Experiments can be powerful tools for evaluating and exploring both the behavior of data assimilation systems and the potential impacts of future observing systems. With great power comes great responsibility - given a pure modeling framework, how can we be sure our results are meaningful? The challenges and pitfalls of OSSE calibration and validation will be addressed, as well as issues of incestuousness, selection of appropriate metrics, and experiment design. The use of idealized observational networks to investigate theoretical ideas in a fully complex modeling framework will also be discussed

An open-source job management framework for parameter-space exploration: OACIS

NASA Astrophysics Data System (ADS)

Murase, Y.; Uchitane, T.; Ito, N.

2017-11-01

We present an open-source software framework for parameter-space exporation, named OACIS, which is useful to manage vast amount of simulation jobs and results in a systematic way. Recent development of high-performance computers enabled us to explore parameter spaces comprehensively, however, in such cases, manual management of the workflow is practically impossible. OACIS is developed aiming at reducing the cost of these repetitive tasks when conducting simulations by automating job submissions and data management. In this article, an overview of OACIS as well as a getting started guide are presented.

Simulation of Auger electron emission from nanometer-size gold targets using the Geant4 Monte Carlo simulation toolkit

NASA Astrophysics Data System (ADS)

Incerti, S.; Suerfu, B.; Xu, J.; Ivantchenko, V.; Mantero, A.; Brown, J. M. C.; Bernal, M. A.; Francis, Z.; Karamitros, M.; Tran, H. N.

2016-04-01

A revised atomic deexcitation framework for the Geant4 general purpose Monte Carlo toolkit capable of simulating full Auger deexcitation cascades was implemented in June 2015 release (version 10.2 Beta). An overview of this refined framework and testing of its capabilities is presented for the irradiation of gold nanoparticles (NP) with keV photon and MeV proton beams. The resultant energy spectra of secondary particles created within and that escape the NP are analyzed and discussed. It is anticipated that this new functionality will improve and increase the use of Geant4 in the medical physics, radiobiology, nanomedicine research and other low energy physics fields.

Efficient particle-in-cell simulation of auroral plasma phenomena using a CUDA enabled graphics processing unit

NASA Astrophysics Data System (ADS)

Sewell, Stephen

This thesis introduces a software framework that effectively utilizes low-cost commercially available Graphic Processing Units (GPUs) to simulate complex scientific plasma phenomena that are modeled using the Particle-In-Cell (PIC) paradigm. The software framework that was developed conforms to the Compute Unified Device Architecture (CUDA), a standard for general purpose graphic processing that was introduced by NVIDIA Corporation. This framework has been verified for correctness and applied to advance the state of understanding of the electromagnetic aspects of the development of the Aurora Borealis and Aurora Australis. For each phase of the PIC methodology, this research has identified one or more methods to exploit the problem's natural parallelism and effectively map it for execution on the graphic processing unit and its host processor. The sources of overhead that can reduce the effectiveness of parallelization for each of these methods have also been identified. One of the novel aspects of this research was the utilization of particle sorting during the grid interpolation phase. The final representation resulted in simulations that executed about 38 times faster than simulations that were run on a single-core general-purpose processing system. The scalability of this framework to larger problem sizes and future generation systems has also been investigated.

NUMERICAL SIMULATION OF NANOINDENTATION AND PATCH CLAMP EXPERIMENTS ON MECHANOSENSITIVE CHANNELS OF LARGE CONDUCTANCE IN ESCHERICHIA COLI

PubMed Central

Tang, Yuye; Chen, Xi; Yoo, Jejoong; Yethiraj, Arun; Cui, Qiang

2010-01-01

A hierarchical simulation framework that integrates information from all-atom simulations into a finite element model at the continuum level is established to study the mechanical response of a mechanosensitive channel of large conductance (MscL) in bacteria Escherichia Coli (E.coli) embedded in a vesicle formed by the dipalmitoylphosphatidycholine (DPPC) lipid bilayer. Sufficient structural details of the protein are built into the continuum model, with key parameters and material properties derived from molecular mechanics simulations. The multi-scale framework is used to analyze the gating of MscL when the lipid vesicle is subjective to nanoindentation and patch clamp experiments, and the detailed structural transitions of the protein are obtained explicitly as a function of external load; it is currently impossible to derive such information based solely on all-atom simulations. The gating pathways of E.coli-MscL qualitatively agree with results from previous patch clamp experiments. The gating mechanisms under complex indentation-induced deformation are also predicted. This versatile hierarchical multi-scale framework may be further extended to study the mechanical behaviors of cells and biomolecules, as well as to guide and stimulate biomechanics experiments. PMID:21874098

Optimal Wastewater Loading under Conflicting Goals and Technology Limitations in a Riverine System.

PubMed

Rafiee, Mojtaba; Lyon, Steve W; Zahraie, Banafsheh; Destouni, Georgia; Jaafarzadeh, Nemat

2017-03-01

  This paper investigates a novel simulation-optimization (S-O) framework for identifying optimal treatment levels and treatment processes for multiple wastewater dischargers to rivers. A commonly used water quality simulation model, Qual2K, was linked to a Genetic Algorithm optimization model for exploration of relevant fuzzy objective-function formulations for addressing imprecision and conflicting goals of pollution control agencies and various dischargers. Results showed a dynamic flow dependence of optimal wastewater loading with good convergence to near global optimum. Explicit considerations of real-world technological limitations, which were developed here in a new S-O framework, led to better compromise solutions between conflicting goals than those identified within traditional S-O frameworks. The newly developed framework, in addition to being more technologically realistic, is also less complicated and converges on solutions more rapidly than traditional frameworks. This technique marks a significant step forward for development of holistic, riverscape-based approaches that balance the conflicting needs of the stakeholders.

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

PubMed Central

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

2017-01-01

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

Hybrid Architectural Framework for C4ISR and Discrete-Event Simulation (DES) to Support Sensor-Driven Model Synthesis in Real-World Scenarios

DTIC Science & Technology

2013-09-01

which utilizes FTA and then loads it into a DES engine to generate simulation results. .......44 Figure 21. This simulation architecture is...While Discrete Event Simulation ( DES ) can provide accurate time estimation and fast simulation speed, models utilizing it often suffer...C4ISR progress in MDW is developed in this research to demonstrate the feasibility of AEMF- DES and explore its potential. The simulation (MDSIM

Experimental validation for thermal transmittances of window shading systems with perimeter gaps

DOE PAGES

Hart, Robert; Goudey, Howdy; Curcija, D. Charlie

2018-02-22

Virtually all residential and commercial windows in the U.S. have some form of window attachment, but few have been designed for energy savings. ISO 15099 presents a simulation framework to determine thermal performance of window attachments, but the model has not been validated for these products. This paper outlines a review and validation of the ISO 15099 centre-of-glass heat transfer correlations for perimeter gaps (top, bottom, and side) in naturally ventilated cavities through measurement and simulation. The thermal transmittance impact due to dimensional variations of these gaps is measured experimentally, simulated using computational fluid dynamics, and simulated utilizing simplified correlationsmore » from ISO 15099. Results show that the ISO 15099 correlations produce a mean error between measured and simulated heat flux of 2.5 ± 7%. These tolerances are similar to those obtained from sealed cavity comparisons and are deemed acceptable within the ISO 15099 framework.« less

Development of a Dynamically Configurable, Object-Oriented Framework for Distributed, Multi-modal Computational Aerospace Systems Simulation

NASA Technical Reports Server (NTRS)

Afjeh, Abdollah A.; Reed, John A.

2003-01-01

The following reports are presented on this project:A first year progress report on: Development of a Dynamically Configurable,Object-Oriented Framework for Distributed, Multi-modal Computational Aerospace Systems Simulation; A second year progress report on: Development of a Dynamically Configurable, Object-Oriented Framework for Distributed, Multi-modal Computational Aerospace Systems Simulation; An Extensible, Interchangeable and Sharable Database Model for Improving Multidisciplinary Aircraft Design; Interactive, Secure Web-enabled Aircraft Engine Simulation Using XML Databinding Integration; and Improving the Aircraft Design Process Using Web-based Modeling and Simulation.

A geostatistical extreme-value framework for fast simulation of natural hazard events

PubMed Central

Stephenson, David B.

2016-01-01

We develop a statistical framework for simulating natural hazard events that combines extreme value theory and geostatistics. Robust generalized additive model forms represent generalized Pareto marginal distribution parameters while a Student’s t-process captures spatial dependence and gives a continuous-space framework for natural hazard event simulations. Efficiency of the simulation method allows many years of data (typically over 10 000) to be obtained at relatively little computational cost. This makes the model viable for forming the hazard module of a catastrophe model. We illustrate the framework by simulating maximum wind gusts for European windstorms, which are found to have realistic marginal and spatial properties, and validate well against wind gust measurements. PMID:27279768

Virtual Plant Tissue: Building Blocks for Next-Generation Plant Growth Simulation

PubMed Central

De Vos, Dirk; Dzhurakhalov, Abdiravuf; Stijven, Sean; Klosiewicz, Przemyslaw; Beemster, Gerrit T. S.; Broeckhove, Jan

2017-01-01

Motivation: Computational modeling of plant developmental processes is becoming increasingly important. Cellular resolution plant tissue simulators have been developed, yet they are typically describing physiological processes in an isolated way, strongly delimited in space and time. Results: With plant systems biology moving toward an integrative perspective on development we have built the Virtual Plant Tissue (VPTissue) package to couple functional modules or models in the same framework and across different frameworks. Multiple levels of model integration and coordination enable combining existing and new models from different sources, with diverse options in terms of input/output. Besides the core simulator the toolset also comprises a tissue editor for manipulating tissue geometry and cell, wall, and node attributes in an interactive manner. A parameter exploration tool is available to study parameter dependence of simulation results by distributing calculations over multiple systems. Availability: Virtual Plant Tissue is available as open source (EUPL license) on Bitbucket (https://bitbucket.org/vptissue/vptissue). The project has a website https://vptissue.bitbucket.io. PMID:28523006

Ca-Pri a Cellular Automata Phenomenological Research Investigation: Simulation Results

NASA Astrophysics Data System (ADS)

Iannone, G.; Troisi, A.

2013-05-01

Following the introduction of a phenomenological cellular automata (CA) model capable to reproduce city growth and urban sprawl, we develop a toy model simulation considering a realistic framework. The main characteristic of our approach is an evolution algorithm based on inhabitants preferences. The control of grown cells is obtained by means of suitable functions which depend on the initial condition of the simulation. New born urban settlements are achieved by means of a logistic evolution of the urban pattern while urban sprawl is controlled by means of the population evolution function. In order to compare model results with a realistic urban framework we have considered, as the area of study, the island of Capri (Italy) in the Mediterranean Sea. Two different phases of the urban evolution on the island have been taken into account: a new born initial growth as induced by geographic suitability and the simulation of urban spread after 1943 induced by the population evolution after this date.

a Simulation-As Framework Facilitating Webgis Based Installation Planning

NASA Astrophysics Data System (ADS)

Zheng, Z.; Chang, Z. Y.; Fei, Y. F.

2017-09-01

Installation Planning is constrained by both natural and social conditions, especially for spatially sparse but functionally connected facilities. Simulation is important for proper deploy in space and configuration in function of facilities to make them a cohesive and supportive system to meet users' operation needs. Based on requirement analysis, we propose a framework to combine GIS and Agent simulation to overcome the shortness in temporal analysis and task simulation of traditional GIS. In this framework, Agent based simulation runs as a service on the server, exposes basic simulation functions, such as scenario configuration, simulation control, and simulation data retrieval to installation planners. At the same time, the simulation service is able to utilize various kinds of geoprocessing services in Agents' process logic to make sophisticated spatial inferences and analysis. This simulation-as-a-service framework has many potential benefits, such as easy-to-use, on-demand, shared understanding, and boosted performances. At the end, we present a preliminary implement of this concept using ArcGIS javascript api 4.0 and ArcGIS for server, showing how trip planning and driving can be carried out by agents.

Transient Mass and Thermal Transport during Methane Adsorption into the Metal-Organic Framework HKUST-1.

PubMed

Babaei, Hasan; McGaughey, Alan J H; Wilmer, Christopher E

2018-01-24

Methane adsorption into the metal-organic framework (MOF) HKUST-1 and the resulting heat generation and dissipation are investigated using molecular dynamics simulations. Transient simulations reveal that thermal transport in the MOF occurs two orders of magnitude faster than gas diffusion. A large thermal resistance at the MOF-gas interface (equivalent to 127 nm of bulk HKUST-1), however, prevents fast release of the generated heat. The mass transport resistance at the MOF-gas interface is equivalent to 1 nm of bulk HKUST-1 and does not present a bottleneck in the adsorption process. These results provide important insights into the application of MOFs for gas storage applications.

A Dynamic Multi-Projection-Contour Approximating Framework for the 3D Reconstruction of Buildings by Super-Generalized Optical Stereo-Pairs.

PubMed

Yan, Yiming; Su, Nan; Zhao, Chunhui; Wang, Liguo

2017-09-19

In this paper, a novel framework of the 3D reconstruction of buildings is proposed, focusing on remote sensing super-generalized stereo-pairs (SGSPs). As we all know, 3D reconstruction cannot be well performed using nonstandard stereo pairs, since reliable stereo matching could not be achieved when the image-pairs are collected at a great difference of views, and we always failed to obtain dense 3D points for regions of buildings, and cannot do further 3D shape reconstruction. We defined SGSPs as two or more optical images collected in less constrained views but covering the same buildings. It is even more difficult to reconstruct the 3D shape of a building by SGSPs using traditional frameworks. As a result, a dynamic multi-projection-contour approximating (DMPCA) framework was introduced for SGSP-based 3D reconstruction. The key idea is that we do an optimization to find a group of parameters of a simulated 3D model and use a binary feature-image that minimizes the total differences between projection-contours of the building in the SGSPs and that in the simulated 3D model. Then, the simulated 3D model, defined by the group of parameters, could approximate the actual 3D shape of the building. Certain parameterized 3D basic-unit-models of typical buildings were designed, and a simulated projection system was established to obtain a simulated projection-contour in different views. Moreover, the artificial bee colony algorithm was employed to solve the optimization. With SGSPs collected by the satellite and our unmanned aerial vehicle, the DMPCA framework was verified by a group of experiments, which demonstrated the reliability and advantages of this work.

A Framework for Image-Based Modeling of Acute Myocardial Ischemia Using Intramurally Recorded Extracellular Potentials.

PubMed

Burton, Brett M; Aras, Kedar K; Good, Wilson W; Tate, Jess D; Zenger, Brian; MacLeod, Rob S

2018-05-21

The biophysical basis for electrocardiographic evaluation of myocardial ischemia stems from the notion that ischemic tissues develop, with relative uniformity, along the endocardial aspects of the heart. These injured regions of subendocardial tissue give rise to intramural currents that lead to ST segment deflections within electrocardiogram (ECG) recordings. The concept of subendocardial ischemic regions is often used in clinical practice, providing a simple and intuitive description of ischemic injury; however, such a model grossly oversimplifies the presentation of ischemic disease-inadvertently leading to errors in ECG-based diagnoses. Furthermore, recent experimental studies have brought into question the subendocardial ischemia paradigm suggesting instead a more distributed pattern of tissue injury. These findings come from experiments and so have both the impact and the limitations of measurements from living organisms. Computer models have often been employed to overcome the constraints of experimental approaches and have a robust history in cardiac simulation. To this end, we have developed a computational simulation framework aimed at elucidating the effects of ischemia on measurable cardiac potentials. To validate our framework, we simulated, visualized, and analyzed 226 experimentally derived acute myocardial ischemic events. Simulation outcomes agreed both qualitatively (feature comparison) and quantitatively (correlation, average error, and significance) with experimentally obtained epicardial measurements, particularly under conditions of elevated ischemic stress. Our simulation framework introduces a novel approach to incorporating subject-specific, geometric models and experimental results that are highly resolved in space and time into computational models. We propose this framework as a means to advance the understanding of the underlying mechanisms of ischemic disease while simultaneously putting in place the computational infrastructure necessary to study and improve ischemia models aimed at reducing diagnostic errors in the clinic.

Generalizable open source urban water portfolio simulation framework demonstrated using a multi-objective risk-based planning benchmark problem.

NASA Astrophysics Data System (ADS)

Trindade, B. C.; Reed, P. M.

2017-12-01

The growing access and reduced cost for computing power in recent years has promoted rapid development and application of multi-objective water supply portfolio planning. As this trend continues there is a pressing need for flexible risk-based simulation frameworks and improved algorithm benchmarking for emerging classes of water supply planning and management problems. This work contributes the Water Utilities Management and Planning (WUMP) model: a generalizable and open source simulation framework designed to capture how water utilities can minimize operational and financial risks by regionally coordinating planning and management choices, i.e. making more efficient and coordinated use of restrictions, water transfers and financial hedging combined with possible construction of new infrastructure. We introduce the WUMP simulation framework as part of a new multi-objective benchmark problem for planning and management of regionally integrated water utility companies. In this problem, a group of fictitious water utilities seek to balance the use of the mentioned reliability driven actions (e.g., restrictions, water transfers and infrastructure pathways) and their inherent financial risks. Several traits of this problem make it ideal for a benchmark problem, namely the presence of (1) strong non-linearities and discontinuities in the Pareto front caused by the step-wise nature of the decision making formulation and by the abrupt addition of storage through infrastructure construction, (2) noise due to the stochastic nature of the streamflows and water demands, and (3) non-separability resulting from the cooperative formulation of the problem, in which decisions made by stakeholder may substantially impact others. Both the open source WUMP simulation framework and its demonstration in a challenging benchmarking example hold value for promoting broader advances in urban water supply portfolio planning for regions confronting change.

Agent-based modeling of the spread of influenza-like illness in an emergency department: a simulation study.

PubMed

Laskowski, Marek; Demianyk, Bryan C P; Witt, Julia; Mukhi, Shamir N; Friesen, Marcia R; McLeod, Robert D

2011-11-01

The objective of this paper was to develop an agent-based modeling framework in order to simulate the spread of influenza virus infection on a layout based on a representative hospital emergency department in Winnipeg, Canada. In doing so, the study complements mathematical modeling techniques for disease spread, as well as modeling applications focused on the spread of antibiotic-resistant nosocomial infections in hospitals. Twenty different emergency department scenarios were simulated, with further simulation of four infection control strategies. The agent-based modeling approach represents systems modeling, in which the emergency department was modeled as a collection of agents (patients and healthcare workers) and their individual characteristics, behaviors, and interactions. The framework was coded in C++ using Qt4 libraries running under the Linux operating system. A simple ordinary least squares (OLS) regression was used to analyze the data, in which the percentage of patients that became infected in one day within the simulation was the dependent variable. The results suggest that within the given instance context, patient-oriented infection control policies (alternate treatment streams, masking symptomatic patients) tend to have a larger effect than policies that target healthcare workers. The agent-based modeling framework is a flexible tool that can be made to reflect any given environment; it is also a decision support tool for practitioners and policymakers to assess the relative impact of infection control strategies. The framework illuminates scenarios worthy of further investigation, as well as counterintuitive findings.

Coupled Thermo-Hydro-Mechanical Numerical Framework for Simulating Unconventional Formations

NASA Astrophysics Data System (ADS)

Garipov, T. T.; White, J. A.; Lapene, A.; Tchelepi, H.

2016-12-01

Unconventional deposits are found in all world oil provinces. Modeling these systems is challenging, however, due to complex thermo-hydro-mechanical processes that govern their behavior. As a motivating example, we consider in situ thermal processing of oil shale deposits. When oil shale is heated to sufficient temperatures, kerogen can be converted to oil and gas products over a relatively short timespan. This phase change dramatically impact both the mechanical and hydrologic properties of the rock, leading to strongly coupled THMC interactions. Here, we present a numerical framework for simulating tightly-coupled chemistry, geomechanics, and multiphase flow within a reservoir simulator (the AD-GPRS General Purpose Research Simulator). We model changes in constitutive behavior of the rock using a thermoplasticity model that accounts for microstructural evolution. The multi-component, multiphase flow and transport processes of both mass and heat are modeled at the macroscopic (e.g., Darcy) scale. The phase compositions and properties are described by a cubic equation of state; Arrhenius-type chemical reactions are used to represent kerogen conversion. The system of partial differential equations is discretized using a combination of finite-volumes and finite-elements, respectively, for the flow and mechanics problems. Fully implicit and sequentially implicit method are used to solve resulting nonlinear problem. The proposed framework is verified against available analytical and numerical benchmark cases. We demonstrate the efficiency, performance, and capabilities of the proposed simulation framework by analyzing near well deformation in an oil shale formation.

Simulation of Auger electron emission from nanometer-size gold targets using the Geant4 Monte Carlo simulation toolkit

DOE PAGES

Incerti, S.; Suerfu, B.; Xu, J.; ...

2016-02-16

We report that a revised atomic deexcitation framework for the Geant4 general purpose Monte Carlo toolkit capable of simulating full Auger deexcitation cascades was implemented in June 2015 release (version 10.2 Beta). An overview of this refined framework and testing of its capabilities is presented for the irradiation of gold nanoparticles (NP) with keV photon and MeV proton beams. The resultant energy spectra of secondary particles created within and that escape the NP are analyzed and discussed. It is anticipated that this new functionality will improve and increase the use of Geant4 in the medical physics, radiobiology, nanomedicine research andmore » other low energy physics fields.« less

The Parallel System for Integrating Impact Models and Sectors (pSIMS)

NASA Technical Reports Server (NTRS)

Elliott, Joshua; Kelly, David; Chryssanthacopoulos, James; Glotter, Michael; Jhunjhnuwala, Kanika; Best, Neil; Wilde, Michael; Foster, Ian

2014-01-01

We present a framework for massively parallel climate impact simulations: the parallel System for Integrating Impact Models and Sectors (pSIMS). This framework comprises a) tools for ingesting and converting large amounts of data to a versatile datatype based on a common geospatial grid; b) tools for translating this datatype into custom formats for site-based models; c) a scalable parallel framework for performing large ensemble simulations, using any one of a number of different impacts models, on clusters, supercomputers, distributed grids, or clouds; d) tools and data standards for reformatting outputs to common datatypes for analysis and visualization; and e) methodologies for aggregating these datatypes to arbitrary spatial scales such as administrative and environmental demarcations. By automating many time-consuming and error-prone aspects of large-scale climate impacts studies, pSIMS accelerates computational research, encourages model intercomparison, and enhances reproducibility of simulation results. We present the pSIMS design and use example assessments to demonstrate its multi-model, multi-scale, and multi-sector versatility.

Comparative analysis of the fit of 3-unit implant-supported frameworks cast in nickel-chromium and cobalt-chromium alloys and commercially pure titanium after casting, laser welding, and simulated porcelain firings.

PubMed

Tiossi, Rodrigo; Rodrigues, Renata Cristina Silveira; de Mattos, Maria da Glória Chiarello; Ribeiro, Ricardo Faria

2008-01-01

This study compared the vertical misfit of 3-unit implant-supported nickel-chromium (Ni-Cr) and cobalt-chromium (Co-Cr) alloy and commercially pure titanium (cpTi) frameworks after casting as 1 piece, after sectioning and laser welding, and after simulated porcelain firings. The results on the tightened side showed no statistically significant differences. On the opposite side, statistically significant differences were found for Co-Cr alloy (118.64 microm [SD: 91.48] to 39.90 microm [SD: 27.13]) and cpTi (118.56 microm [51.35] to 27.87 microm [12.71]) when comparing 1-piece to laser-welded frameworks. With both sides tightened, only Co-Cr alloy showed statistically significant differences after laser welding. Ni-Cr alloy showed the lowest misfit values, though the differences were not statistically significantly different. Simulated porcelain firings revealed no significant differences.

Extending MAM5 Meta-Model and JaCalIV E Framework to Integrate Smart Devices from Real Environments.

PubMed

Rincon, J A; Poza-Lujan, Jose-Luis; Julian, V; Posadas-Yagüe, Juan-Luis; Carrascosa, C

2016-01-01

This paper presents the extension of a meta-model (MAM5) and a framework based on the model (JaCalIVE) for developing intelligent virtual environments. The goal of this extension is to develop augmented mirror worlds that represent a real and virtual world coupled, so that the virtual world not only reflects the real one, but also complements it. A new component called a smart resource artifact, that enables modelling and developing devices to access the real physical world, and a human in the loop agent to place a human in the system have been included in the meta-model and framework. The proposed extension of MAM5 has been tested by simulating a light control system where agents can access both virtual and real sensor/actuators through the smart resources developed. The results show that the use of real environment interactive elements (smart resource artifacts) in agent-based simulations allows to minimize the error between simulated and real system.

Automatising the analysis of stochastic biochemical time-series

PubMed Central

2015-01-01

Background Mathematical and computational modelling of biochemical systems has seen a lot of effort devoted to the definition and implementation of high-performance mechanistic simulation frameworks. Within these frameworks it is possible to analyse complex models under a variety of configurations, eventually selecting the best setting of, e.g., parameters for a target system. Motivation This operational pipeline relies on the ability to interpret the predictions of a model, often represented as simulation time-series. Thus, an efficient data analysis pipeline is crucial to automatise time-series analyses, bearing in mind that errors in this phase might mislead the modeller's conclusions. Results For this reason we have developed an intuitive framework-independent Python tool to automate analyses common to a variety of modelling approaches. These include assessment of useful non-trivial statistics for simulation ensembles, e.g., estimation of master equations. Intuitive and domain-independent batch scripts will allow the researcher to automatically prepare reports, thus speeding up the usual model-definition, testing and refinement pipeline. PMID:26051821

Extending MAM5 Meta-Model and JaCalIV E Framework to Integrate Smart Devices from Real Environments

PubMed Central

2016-01-01

This paper presents the extension of a meta-model (MAM5) and a framework based on the model (JaCalIVE) for developing intelligent virtual environments. The goal of this extension is to develop augmented mirror worlds that represent a real and virtual world coupled, so that the virtual world not only reflects the real one, but also complements it. A new component called a smart resource artifact, that enables modelling and developing devices to access the real physical world, and a human in the loop agent to place a human in the system have been included in the meta-model and framework. The proposed extension of MAM5 has been tested by simulating a light control system where agents can access both virtual and real sensor/actuators through the smart resources developed. The results show that the use of real environment interactive elements (smart resource artifacts) in agent-based simulations allows to minimize the error between simulated and real system. PMID:26926691

A Stochastic Simulation Framework for the Prediction of Strategic Noise Mapping and Occupational Noise Exposure Using the Random Walk Approach

PubMed Central

Haron, Zaiton; Bakar, Suhaimi Abu; Dimon, Mohamad Ngasri

2015-01-01

Strategic noise mapping provides important information for noise impact assessment and noise abatement. However, producing reliable strategic noise mapping in a dynamic, complex working environment is difficult. This study proposes the implementation of the random walk approach as a new stochastic technique to simulate noise mapping and to predict the noise exposure level in a workplace. A stochastic simulation framework and software, namely RW-eNMS, were developed to facilitate the random walk approach in noise mapping prediction. This framework considers the randomness and complexity of machinery operation and noise emission levels. Also, it assesses the impact of noise on the workers and the surrounding environment. For data validation, three case studies were conducted to check the accuracy of the prediction data and to determine the efficiency and effectiveness of this approach. The results showed high accuracy of prediction results together with a majority of absolute differences of less than 2 dBA; also, the predicted noise doses were mostly in the range of measurement. Therefore, the random walk approach was effective in dealing with environmental noises. It could predict strategic noise mapping to facilitate noise monitoring and noise control in the workplaces. PMID:25875019

A hierarchical approach for simulating northern forest dynamics

Treesearch

Don C. Bragg; David W. Roberts; Thomas R. Crow

2004-01-01

Complexity in ecological systems has challenged forest simulation modelers for years, resulting in a number of approaches with varying degrees of success. Arguments in favor of hierarchical modeling are made, especially for considering a complex environmental issue like widespread eastern hemlock regeneration failure. We present the philosophy and basic framework for...

Playing To Learn: A Community Outreach Framework in Action.

ERIC Educational Resources Information Center

Ganzert, Robin; Helms, Allen

1998-01-01

Describes a partnership between Wake Forest University's graduate school of management and an elementary school that resulted in the development of a computer simulation game that integrated technology into the fifth-grade curriculum via a business simulation where players set up and run their own dinosaur amusement park. (LRW)

The Offline Software Framework of the NA61/SHINE Experiment

NASA Astrophysics Data System (ADS)

Sipos, Roland; Laszlo, Andras; Marcinek, Antoni; Paul, Tom; Szuba, Marek; Unger, Michael; Veberic, Darko; Wyszynski, Oskar

2012-12-01

NA61/SHINE (SHINE = SPS Heavy Ion and Neutrino Experiment) is an experiment at the CERN SPS using the upgraded NA49 hadron spectrometer. Among its physics goals are precise hadron production measurements for improving calculations of the neutrino beam flux in the T2K neutrino oscillation experiment as well as for more reliable simulations of cosmic-ray air showers. Moreover, p+p, p+Pb and nucleus+nucleus collisions will be studied extensively to allow for a study of properties of the onset of deconfinement and search for the critical point of strongly interacting matter. Currently NA61/SHINE uses the old NA49 software framework for reconstruction, simulation and data analysis. The core of this legacy framework was developed in the early 1990s. It is written in different programming and scripting languages (C, pgi-Fortran, shell) and provides several concurrent data formats for the event data model, which includes also obsolete parts. In this contribution we will introduce the new software framework, called Shine, that is written in C++ and designed to comprise three principal parts: a collection of processing modules which can be assembled and sequenced by the user via XML files, an event data model which contains all simulation and reconstruction information based on STL and ROOT streaming, and a detector description which provides data on the configuration and state of the experiment. To assure a quick migration to the Shine framework, wrappers were introduced that allow to run legacy code parts as modules in the new framework and we will present first results on the cross validation of the two frameworks.

A Simulation and Modeling Framework for Space Situational Awareness

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

Olivier, S S

This paper describes the development and initial demonstration of a new, integrated modeling and simulation framework, encompassing the space situational awareness enterprise, for quantitatively assessing the benefit of specific sensor systems, technologies and data analysis techniques. The framework is based on a flexible, scalable architecture to enable efficient, physics-based simulation of the current SSA enterprise, and to accommodate future advancements in SSA systems. In particular, the code is designed to take advantage of massively parallel computer systems available, for example, at Lawrence Livermore National Laboratory. The details of the modeling and simulation framework are described, including hydrodynamic models of satellitemore » intercept and debris generation, orbital propagation algorithms, radar cross section calculations, optical brightness calculations, generic radar system models, generic optical system models, specific Space Surveillance Network models, object detection algorithms, orbit determination algorithms, and visualization tools. The use of this integrated simulation and modeling framework on a specific scenario involving space debris is demonstrated.« less

A Framework for the Optimization of Discrete-Event Simulation Models

NASA Technical Reports Server (NTRS)

Joshi, B. D.; Unal, R.; White, N. H.; Morris, W. D.

1996-01-01

With the growing use of computer modeling and simulation, in all aspects of engineering, the scope of traditional optimization has to be extended to include simulation models. Some unique aspects have to be addressed while optimizing via stochastic simulation models. The optimization procedure has to explicitly account for the randomness inherent in the stochastic measures predicted by the model. This paper outlines a general purpose framework for optimization of terminating discrete-event simulation models. The methodology combines a chance constraint approach for problem formulation, together with standard statistical estimation and analyses techniques. The applicability of the optimization framework is illustrated by minimizing the operation and support resources of a launch vehicle, through a simulation model.

Evaluating large-scale propensity score performance through real-world and synthetic data experiments.

PubMed

Tian, Yuxi; Schuemie, Martijn J; Suchard, Marc A

2018-06-22

Propensity score adjustment is a popular approach for confounding control in observational studies. Reliable frameworks are needed to determine relative propensity score performance in large-scale studies, and to establish optimal propensity score model selection methods. We detail a propensity score evaluation framework that includes synthetic and real-world data experiments. Our synthetic experimental design extends the 'plasmode' framework and simulates survival data under known effect sizes, and our real-world experiments use a set of negative control outcomes with presumed null effect sizes. In reproductions of two published cohort studies, we compare two propensity score estimation methods that contrast in their model selection approach: L1-regularized regression that conducts a penalized likelihood regression, and the 'high-dimensional propensity score' (hdPS) that employs a univariate covariate screen. We evaluate methods on a range of outcome-dependent and outcome-independent metrics. L1-regularization propensity score methods achieve superior model fit, covariate balance and negative control bias reduction compared with the hdPS. Simulation results are mixed and fluctuate with simulation parameters, revealing a limitation of simulation under the proportional hazards framework. Including regularization with the hdPS reduces commonly reported non-convergence issues but has little effect on propensity score performance. L1-regularization incorporates all covariates simultaneously into the propensity score model and offers propensity score performance superior to the hdPS marginal screen.

Noise in Neuronal and Electronic Circuits: A General Modeling Framework and Non-Monte Carlo Simulation Techniques.

PubMed

Kilinc, Deniz; Demir, Alper

2017-08-01

The brain is extremely energy efficient and remarkably robust in what it does despite the considerable variability and noise caused by the stochastic mechanisms in neurons and synapses. Computational modeling is a powerful tool that can help us gain insight into this important aspect of brain mechanism. A deep understanding and computational design tools can help develop robust neuromorphic electronic circuits and hybrid neuroelectronic systems. In this paper, we present a general modeling framework for biological neuronal circuits that systematically captures the nonstationary stochastic behavior of ion channels and synaptic processes. In this framework, fine-grained, discrete-state, continuous-time Markov chain models of both ion channels and synaptic processes are treated in a unified manner. Our modeling framework features a mechanism for the automatic generation of the corresponding coarse-grained, continuous-state, continuous-time stochastic differential equation models for neuronal variability and noise. Furthermore, we repurpose non-Monte Carlo noise analysis techniques, which were previously developed for analog electronic circuits, for the stochastic characterization of neuronal circuits both in time and frequency domain. We verify that the fast non-Monte Carlo analysis methods produce results with the same accuracy as computationally expensive Monte Carlo simulations. We have implemented the proposed techniques in a prototype simulator, where both biological neuronal and analog electronic circuits can be simulated together in a coupled manner.

A comprehensive combined experimental and computational framework for pre-clinical wear simulation of total knee replacements.

PubMed

Abdelgaied, A; Fisher, J; Jennings, L M

2018-02-01

A more robust pre-clinical wear simulation framework is required in order to simulate wider and higher ranges of activities, observed in different patient populations such as younger more active patients. Such a framework will help to understand and address the reported higher failure rates for younger and more active patients (National_Joint_Registry, 2016). The current study has developed and validated a comprehensive combined experimental and computational framework for pre-clinical wear simulation of total knee replacements (TKR). The input mechanical (elastic modulus and Poisson's ratio) and wear parameters of the moderately cross-linked ultra-high molecular weight polyethylene (UHMWPE) bearing material were independently measured from experimental studies under realistic test conditions, similar to the loading conditions found in the total knee replacements. The wear predictions from the computational wear simulation were validated against the direct experimental wear measurements for size 3 Sigma curved total knee replacements (DePuy, UK) in an independent experimental wear simulation study under three different daily activities; walking, deep squat, and stairs ascending kinematic conditions. The measured compressive mechanical properties of the moderately cross-linked UHMWPE material were more than 20% lower than that reported in the literature under tensile test conditions. The pin-on-plate wear coefficient of moderately cross-linked UHMWPE was significantly dependant of the contact stress and the degree of cross-shear at the articulating surfaces. The computational wear predictions for the TKR from the current framework were consistent and in a good agreement with the independent full TKR experimental wear simulation measurements, with 0.94 coefficient of determination of the framework. In addition, the comprehensive combined experimental and computational framework was able to explain the complex experimental wear trends from the three different daily activities investigated. Therefore, such a framework can be adopted as a pre-clinical simulation approach to optimise different designs, materials, as well as patient's specific total knee replacements for a range of activities. Copyright © 2017. Published by Elsevier Ltd.

Modeling spray drift and runoff-related inputs of pesticides to receiving water.

PubMed

Zhang, Xuyang; Luo, Yuzhou; Goh, Kean S

2018-03-01

Pesticides move to surface water via various pathways including surface runoff, spray drift and subsurface flow. Little is known about the relative contributions of surface runoff and spray drift in agricultural watersheds. This study develops a modeling framework to address the contribution of spray drift to the total loadings of pesticides in receiving water bodies. The modeling framework consists of a GIS module for identifying drift potential, the AgDRIFT model for simulating spray drift, and the Soil and Water Assessment Tool (SWAT) for simulating various hydrological and landscape processes including surface runoff and transport of pesticides. The modeling framework was applied on the Orestimba Creek Watershed, California. Monitoring data collected from daily samples were used for model evaluation. Pesticide mass deposition on the Orestimba Creek ranged from 0.08 to 6.09% of applied mass. Monitoring data suggests that surface runoff was the major pathway for pesticide entering water bodies, accounting for 76% of the annual loading; the rest 24% from spray drift. The results from the modeling framework showed 81 and 19%, respectively, for runoff and spray drift. Spray drift contributed over half of the mass loading during summer months. The slightly lower spray drift contribution as predicted by the modeling framework was mainly due to SWAT's under-prediction of pesticide mass loading during summer and over-prediction of the loading during winter. Although model simulations were associated with various sources of uncertainties, the overall performance of the modeling framework was satisfactory as evaluated by multiple statistics: for simulation of daily flow, the Nash-Sutcliffe Efficiency Coefficient (NSE) ranged from 0.61 to 0.74 and the percent bias (PBIAS) < 28%; for daily pesticide loading, NSE = 0.18 and PBIAS = -1.6%. This modeling framework will be useful for assessing the relative exposure from pesticides related to spray drift and runoff in receiving waters and the design of management practices for mitigating pesticide exposure within a watershed. Published by Elsevier Ltd.

Analysis of GEANT4 Physics List Properties in the 12 GeV MOLLER Simulation Framework

NASA Astrophysics Data System (ADS)

Haufe, Christopher; Moller Collaboration

2013-10-01

To determine the validity of new physics beyond the scope of the electroweak theory, nuclear physicists across the globe have been collaborating on future endeavors that will provide the precision needed to confirm these speculations. One of these is the MOLLER experiment - a low-energy particle experiment that will utilize the 12 GeV upgrade of Jefferson Lab's CEBAF accelerator. The motivation of this experiment is to measure the parity-violating asymmetry of scattered polarized electrons off unpolarized electrons in a liquid hydrogen target. This measurement would allow for a more precise determination of the electron's weak charge and weak mixing angle. While still in its planning stages, the MOLLER experiment requires a detailed simulation framework in order to determine how the project should be run in the future. The simulation framework for MOLLER, called ``remoll'', is written in GEANT4 code. As a result, the simulation can utilize a number of GEANT4 coded physics lists that provide the simulation with a number of particle interaction constraints based off of different particle physics models. By comparing these lists with one another using the data-analysis application ROOT, the most optimal physics list for the MOLLER simulation can be determined and implemented. This material is based upon work supported by the National Science Foundation under Grant No. 714001.

Haptic simulation framework for determining virtual dental occlusion.

PubMed

Wu, Wen; Chen, Hui; Cen, Yuhai; Hong, Yang; Khambay, Balvinder; Heng, Pheng Ann

2017-04-01

The surgical treatment of many dentofacial deformities is often complex due to its three-dimensional nature. To determine the dental occlusion in the most stable position is essential for the success of the treatment. Computer-aided virtual planning on individualized patient-specific 3D model can help formulate the surgical plan and predict the surgical change. However, in current computer-aided planning systems, it is not possible to determine the dental occlusion of the digital models in the intuitive way during virtual surgical planning because of absence of haptic feedback. In this paper, a physically based haptic simulation framework is proposed, which can provide surgeons with the intuitive haptic feedback to determine the dental occlusion of the digital models in their most stable position. To provide the physically realistic force feedback when the dental models contact each other during the searching process, the contact model is proposed to describe the dynamic and collision properties of the dental models during the alignment. The simulated impulse/contact-based forces are integrated into the unified simulation framework. A validation study has been conducted on fifteen sets of virtual dental models chosen at random and covering a wide range of the dental relationships found clinically. The dental occlusions obtained by an expert were employed as a benchmark to compare the virtual occlusion results. The mean translational and angular deviations of the virtual occlusion results from the benchmark were small. The experimental results show the validity of our method. The simulated forces can provide valuable insights to determine the virtual dental occlusion. The findings of this work and the validation of proposed concept lead the way for full virtual surgical planning on patient-specific virtual models allowing fully customized treatment plans for the surgical correction of dentofacial deformities.

FERN - a Java framework for stochastic simulation and evaluation of reaction networks.

PubMed

Erhard, Florian; Friedel, Caroline C; Zimmer, Ralf

2008-08-29

Stochastic simulation can be used to illustrate the development of biological systems over time and the stochastic nature of these processes. Currently available programs for stochastic simulation, however, are limited in that they either a) do not provide the most efficient simulation algorithms and are difficult to extend, b) cannot be easily integrated into other applications or c) do not allow to monitor and intervene during the simulation process in an easy and intuitive way. Thus, in order to use stochastic simulation in innovative high-level modeling and analysis approaches more flexible tools are necessary. In this article, we present FERN (Framework for Evaluation of Reaction Networks), a Java framework for the efficient simulation of chemical reaction networks. FERN is subdivided into three layers for network representation, simulation and visualization of the simulation results each of which can be easily extended. It provides efficient and accurate state-of-the-art stochastic simulation algorithms for well-mixed chemical systems and a powerful observer system, which makes it possible to track and control the simulation progress on every level. To illustrate how FERN can be easily integrated into other systems biology applications, plugins to Cytoscape and CellDesigner are included. These plugins make it possible to run simulations and to observe the simulation progress in a reaction network in real-time from within the Cytoscape or CellDesigner environment. FERN addresses shortcomings of currently available stochastic simulation programs in several ways. First, it provides a broad range of efficient and accurate algorithms both for exact and approximate stochastic simulation and a simple interface for extending to new algorithms. FERN's implementations are considerably faster than the C implementations of gillespie2 or the Java implementations of ISBJava. Second, it can be used in a straightforward way both as a stand-alone program and within new systems biology applications. Finally, complex scenarios requiring intervention during the simulation progress can be modelled easily with FERN.

Using GTO-Velo to Facilitate Communication and Sharing of Simulation Results in Support of the Geothermal Technologies Office Code Comparison Study

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

White, Signe K.; Purohit, Sumit; Boyd, Lauren W.

The Geothermal Technologies Office Code Comparison Study (GTO-CCS) aims to support the DOE Geothermal Technologies Office in organizing and executing a model comparison activity. This project is directed at testing, diagnosing differences, and demonstrating modeling capabilities of a worldwide collection of numerical simulators for evaluating geothermal technologies. Teams of researchers are collaborating in this code comparison effort, and it is important to be able to share results in a forum where technical discussions can easily take place without requiring teams to travel to a common location. Pacific Northwest National Laboratory has developed an open-source, flexible framework called Velo that providesmore » a knowledge management infrastructure and tools to support modeling and simulation for a variety of types of projects in a number of scientific domains. GTO-Velo is a customized version of the Velo Framework that is being used as the collaborative tool in support of the GTO-CCS project. Velo is designed around a novel integration of a collaborative Web-based environment and a scalable enterprise Content Management System (CMS). The underlying framework provides a flexible and unstructured data storage system that allows for easy upload of files that can be in any format. Data files are organized in hierarchical folders and each folder and each file has a corresponding wiki page for metadata. The user interacts with Velo through a web browser based wiki technology, providing the benefit of familiarity and ease of use. High-level folders have been defined in GTO-Velo for the benchmark problem descriptions, descriptions of simulator/code capabilities, a project notebook, and folders for participating teams. Each team has a subfolder with write access limited only to the team members, where they can upload their simulation results. The GTO-CCS participants are charged with defining the benchmark problems for the study, and as each GTO-CCS Benchmark problem is defined, the problem creator can provide a description using a template on the metadata page corresponding to the benchmark problem folder. Project documents, references and videos of the weekly online meetings are shared via GTO-Velo. A results comparison tool allows users to plot their uploaded simulation results on the fly, along with those of other teams, to facilitate weekly discussions of the benchmark problem results being generated by the teams. GTO-Velo is an invaluable tool providing the project coordinators and team members with a framework for collaboration among geographically dispersed organizations.« less

An ice sheet model validation framework for the Greenland ice sheet.

PubMed

Price, Stephen F; Hoffman, Matthew J; Bonin, Jennifer A; Howat, Ian M; Neumann, Thomas; Saba, Jack; Tezaur, Irina; Guerber, Jeffrey; Chambers, Don P; Evans, Katherine J; Kennedy, Joseph H; Lenaerts, Jan; Lipscomb, William H; Perego, Mauro; Salinger, Andrew G; Tuminaro, Raymond S; van den Broeke, Michiel R; Nowicki, Sophie M J

2017-01-01

We propose a new ice sheet model validation framework - the Cryospheric Model Comparison Tool (CmCt) - that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013 using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quantitative metrics for use in evaluating the different model simulations against the observations. We find that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin- and whole-ice-sheet scale metrics, we find that simulations using both idealized conceptual models and dynamic, numerical models provide an equally reasonable representation of the ice sheet surface (mean elevation differences of <1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CmCt, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate predictive skill with respect to observed dynamic changes occurring on Greenland over the past few decades. An extensible design will allow for continued use of the CmCt as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation.

An Integrated Qualitative and Quantitative Biochemical Model Learning Framework Using Evolutionary Strategy and Simulated Annealing.

PubMed

Wu, Zujian; Pang, Wei; Coghill, George M

2015-01-01

Both qualitative and quantitative model learning frameworks for biochemical systems have been studied in computational systems biology. In this research, after introducing two forms of pre-defined component patterns to represent biochemical models, we propose an integrative qualitative and quantitative modelling framework for inferring biochemical systems. In the proposed framework, interactions between reactants in the candidate models for a target biochemical system are evolved and eventually identified by the application of a qualitative model learning approach with an evolution strategy. Kinetic rates of the models generated from qualitative model learning are then further optimised by employing a quantitative approach with simulated annealing. Experimental results indicate that our proposed integrative framework is feasible to learn the relationships between biochemical reactants qualitatively and to make the model replicate the behaviours of the target system by optimising the kinetic rates quantitatively. Moreover, potential reactants of a target biochemical system can be discovered by hypothesising complex reactants in the synthetic models. Based on the biochemical models learned from the proposed framework, biologists can further perform experimental study in wet laboratory. In this way, natural biochemical systems can be better understood.

Imposing a Lagrangian Particle Framework on an Eulerian Hydrodynamics Infrastructure in Flash

NASA Technical Reports Server (NTRS)

Dubey, A.; Daley, C.; ZuHone, J.; Ricker, P. M.; Weide, K.; Graziani, C.

2012-01-01

In many astrophysical simulations, both Eulerian and Lagrangian quantities are of interest. For example, in a galaxy cluster merger simulation, the intracluster gas can have Eulerian discretization, while dark matter can be modeled using particles. FLASH, a component-based scientific simulation code, superimposes a Lagrangian framework atop an adaptive mesh refinement Eulerian framework to enable such simulations. The discretization of the field variables is Eulerian, while the Lagrangian entities occur in many different forms including tracer particles, massive particles, charged particles in particle-in-cell mode, and Lagrangian markers to model fluid structure interactions. These widely varying roles for Lagrangian entities are possible because of the highly modular, flexible, and extensible architecture of the Lagrangian framework. In this paper, we describe the Lagrangian framework in FLASH in the context of two very different applications, Type Ia supernovae and galaxy cluster mergers, which use the Lagrangian entities in fundamentally different ways.

Imposing a Lagrangian Particle Framework on an Eulerian Hydrodynamics Infrastructure in FLASH

NASA Astrophysics Data System (ADS)

Dubey, A.; Daley, C.; ZuHone, J.; Ricker, P. M.; Weide, K.; Graziani, C.

2012-08-01

In many astrophysical simulations, both Eulerian and Lagrangian quantities are of interest. For example, in a galaxy cluster merger simulation, the intracluster gas can have Eulerian discretization, while dark matter can be modeled using particles. FLASH, a component-based scientific simulation code, superimposes a Lagrangian framework atop an adaptive mesh refinement Eulerian framework to enable such simulations. The discretization of the field variables is Eulerian, while the Lagrangian entities occur in many different forms including tracer particles, massive particles, charged particles in particle-in-cell mode, and Lagrangian markers to model fluid-structure interactions. These widely varying roles for Lagrangian entities are possible because of the highly modular, flexible, and extensible architecture of the Lagrangian framework. In this paper, we describe the Lagrangian framework in FLASH in the context of two very different applications, Type Ia supernovae and galaxy cluster mergers, which use the Lagrangian entities in fundamentally different ways.

Conceptual Modeling of a Quantum Key Distribution Simulation Framework Using the Discrete Event System Specification

DTIC Science & Technology

2014-09-18

and full/scale experimental verifications towards ground/ satellite quantum key distribution0 Oat Qhotonics 4235>9+7,=5;9!អ \\58^ Zin K. Dao Z. Miu T...Conceptual Modeling of a Quantum Key Distribution Simulation Framework Using the Discrete Event System Specification DISSERTATION Jeffrey D. Morris... QUANTUM KEY DISTRIBUTION SIMULATION FRAMEWORK USING THE DISCRETE EVENT SYSTEM SPECIFICATION DISSERTATION Presented to the Faculty Department of Systems

GLOFRIM v1.0 - A globally applicable computational framework for integrated hydrological-hydrodynamic modelling

NASA Astrophysics Data System (ADS)

Hoch, Jannis M.; Neal, Jeffrey C.; Baart, Fedor; van Beek, Rens; Winsemius, Hessel C.; Bates, Paul D.; Bierkens, Marc F. P.

2017-10-01

We here present GLOFRIM, a globally applicable computational framework for integrated hydrological-hydrodynamic modelling. GLOFRIM facilitates spatially explicit coupling of hydrodynamic and hydrologic models and caters for an ensemble of models to be coupled. It currently encompasses the global hydrological model PCR-GLOBWB as well as the hydrodynamic models Delft3D Flexible Mesh (DFM; solving the full shallow-water equations and allowing for spatially flexible meshing) and LISFLOOD-FP (LFP; solving the local inertia equations and running on regular grids). The main advantages of the framework are its open and free access, its global applicability, its versatility, and its extensibility with other hydrological or hydrodynamic models. Before applying GLOFRIM to an actual test case, we benchmarked both DFM and LFP for a synthetic test case. Results show that for sub-critical flow conditions, discharge response to the same input signal is near-identical for both models, which agrees with previous studies. We subsequently applied the framework to the Amazon River basin to not only test the framework thoroughly, but also to perform a first-ever benchmark of flexible and regular grids on a large-scale. Both DFM and LFP produce comparable results in terms of simulated discharge with LFP exhibiting slightly higher accuracy as expressed by a Kling-Gupta efficiency of 0.82 compared to 0.76 for DFM. However, benchmarking inundation extent between DFM and LFP over the entire study area, a critical success index of 0.46 was obtained, indicating that the models disagree as often as they agree. Differences between models in both simulated discharge and inundation extent are to a large extent attributable to the gridding techniques employed. In fact, the results show that both the numerical scheme of the inundation model and the gridding technique can contribute to deviations in simulated inundation extent as we control for model forcing and boundary conditions. This study shows that the presented computational framework is robust and widely applicable. GLOFRIM is designed as open access and easily extendable, and thus we hope that other large-scale hydrological and hydrodynamic models will be added. Eventually, more locally relevant processes would be captured and more robust model inter-comparison, benchmarking, and ensemble simulations of flood hazard on a large scale would be allowed for.

A Framework for Daylighting Optimization in Whole Buildings with OpenStudio

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

None

2016-08-12

We present a toolkit and workflow for leveraging the OpenStudio (Guglielmetti et al. 2010) platform to perform daylighting analysis and optimization in a whole building energy modeling (BEM) context. We have re-implemented OpenStudio's integrated Radiance and EnergyPlus functionality as an OpenStudio Measure. The OpenStudio Radiance Measure works within the OpenStudio Application and Parametric Analysis Tool, as well as the OpenStudio Server large scale analysis framework, allowing a rigorous daylighting simulation to be performed on a single building model or potentially an entire population of programmatically generated models. The Radiance simulation results can automatically inform the broader building energy model, andmore » provide dynamic daylight metrics as a basis for decision. Through introduction and example, this paper illustrates the utility of the OpenStudio building energy modeling platform to leverage existing simulation tools for integrated building energy performance simulation, daylighting analysis, and reportage.« less

Screening metal-organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology.

PubMed

Parkes, Marie V; Staiger, Chad L; Perry, John J; Allendorf, Mark D; Greathouse, Jeffery A

2013-06-21

The adsorption of noble gases and nitrogen by sixteen metal-organic frameworks (MOFs) was investigated using grand canonical Monte Carlo simulation. The MOFs were chosen to represent a variety of net topologies, pore dimensions, and metal centers. Three commercially available MOFs (HKUST-1, AlMIL-53, and ZIF-8) and PCN-14 were also included for comparison. Experimental adsorption isotherms, obtained from volumetric and gravimetric methods, were used to compare krypton, argon, and nitrogen uptake with the simulation results. Simulated trends in gas adsorption and predicted selectivities among the commercially available MOFs are in good agreement with experiment. In the low pressure regime, the expected trend of increasing adsorption with increasing noble gas polarizabilty is seen. For each noble gas, low pressure adsorption correlates with several MOF properties, including free volume, topology, and metal center. Additionally, a strong correlation exists between the Henry's constant and the isosteric heat of adsorption for all gases and MOFs considered. Finally, we note that the simulated and experimental gas selectivities demonstrated by this small set of MOFs show improved performance compared to similar values reported for zeolites.

A simulation framework for the CMS Track Trigger electronics

NASA Astrophysics Data System (ADS)

Amstutz, C.; Magazzù, G.; Weber, M.; Palla, F.

2015-03-01

A simulation framework has been developed to test and characterize algorithms, architectures and hardware implementations of the vastly complex CMS Track Trigger for the high luminosity upgrade of the CMS experiment at the Large Hadron Collider in Geneva. High-level SystemC models of all system components have been developed to simulate a portion of the track trigger. The simulation of the system components together with input data from physics simulations allows evaluating figures of merit, like delays or bandwidths, under realistic conditions. The use of SystemC for high-level modelling allows co-simulation with models developed in Hardware Description Languages, e.g. VHDL or Verilog. Therefore, the simulation framework can also be used as a test bench for digital modules developed for the final system.

Reduced-Order Aerothermoelastic Analysis of Hypersonic Vehicle Structures

NASA Astrophysics Data System (ADS)

Falkiewicz, Nathan J.

Design and simulation of hypersonic vehicles require consideration of a variety of disciplines due to the highly coupled nature of the flight regime. In order to capture all of the potential effects on vehicle dynamics, one must consider the aerodynamics, aerodynamic heating, heat transfer, and structural dynamics as well as the interactions between these disciplines. The problem is further complicated by the large computational expense involved in capturing all of these effects and their interactions in a full-order sense. While high-fidelity modeling techniques exist for each of these disciplines, the use of such techniques is computationally infeasible in a vehicle design and control system simulation setting for such a highly coupled problem. Early in the design stage, many iterations of analyses may need to be carried out as the vehicle design matures, thus requiring quick analysis turnaround time. Additionally, the number of states used in the analyses must be small enough to allow for efficient control simulation and design. As a result, alternatives to full-order models must be considered. This dissertation presents a fully coupled, reduced-order aerothermoelastic framework for the modeling and analysis of hypersonic vehicle structures. The reduced-order transient thermal solution is a modal solution based on the proper orthogonal decomposition. The reduced-order structural dynamic model is based on projection of the equations of motion onto a Ritz modal subspace that is identified a priori. The reduced-order models are assembled into a time-domain aerothermoelastic simulation framework which uses a partitioned time-marching scheme to account for the disparate time scales of the associated physics. The aerothermoelastic modeling framework is outlined and the formulations associated with the unsteady aerodynamics, aerodynamic heating, transient thermal, and structural dynamics are outlined. Results demonstrate the accuracy of the reduced-order transient thermal and structural dynamic models under variation in boundary conditions and flight conditions. The framework is applied to representative hypersonic vehicle control surface structures and a variety of studies are conducted to assess the impact of aerothermoelastic effects on hypersonic vehicle dynamics. The results presented in this dissertation demonstrate the ability of the proposed framework to perform efficient aerothermoelastic analysis.

A Framework for Performing Multiscale Stochastic Progressive Failure Analysis of Composite Structures

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Arnold, Steven M.

2006-01-01

A framework is presented that enables coupled multiscale analysis of composite structures. The recently developed, free, Finite Element Analysis - Micromechanics Analysis Code (FEAMAC) software couples the Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC) with ABAQUS to perform micromechanics based FEA such that the nonlinear composite material response at each integration point is modeled at each increment by MAC/GMC. As a result, the stochastic nature of fiber breakage in composites can be simulated through incorporation of an appropriate damage and failure model that operates within MAC/GMC on the level of the fiber. Results are presented for the progressive failure analysis of a titanium matrix composite tensile specimen that illustrate the power and utility of the framework and address the techniques needed to model the statistical nature of the problem properly. In particular, it is shown that incorporating fiber strength randomness on multiple scales improves the quality of the simulation by enabling failure at locations other than those associated with structural level stress risers.

A Framework for Performing Multiscale Stochastic Progressive Failure Analysis of Composite Structures

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Arnold, Steven M.

2007-01-01

A framework is presented that enables coupled multiscale analysis of composite structures. The recently developed, free, Finite Element Analysis-Micromechanics Analysis Code (FEAMAC) software couples the Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC) with ABAQUS to perform micromechanics based FEA such that the nonlinear composite material response at each integration point is modeled at each increment by MAC/GMC. As a result, the stochastic nature of fiber breakage in composites can be simulated through incorporation of an appropriate damage and failure model that operates within MAC/GMC on the level of the fiber. Results are presented for the progressive failure analysis of a titanium matrix composite tensile specimen that illustrate the power and utility of the framework and address the techniques needed to model the statistical nature of the problem properly. In particular, it is shown that incorporating fiber strength randomness on multiple scales improves the quality of the simulation by enabling failure at locations other than those associated with structural level stress risers.

Fabrication of magnetite nano particles and modification with metal organic framework of Zn(2+) for sorption of doxycyline.

PubMed

Ghassemi Nooreini, Mahsa; Ahmad Panahi, Homayon

2016-10-15

This study presents a novel method for synthesis and characterization of a metal-organic framework and application in drug delivery. The first step was synthesis of amino functionalized magnetite that was then modified by a metal-organic framework of Zn(2+). This newly developed nano-sorbent was characterized by Fourier transform infrared spectroscopy, scanning electron microscopy, energy dispersive x-ray spectroscopy, thermogravimetric analysis, vibrating sample magnetometer and x-ray diffraction. Doxycycline was loaded to the nano-sorbent and effects of the variable parameters, kinetics of adsorption, release and capacity of adsorption were investigated. Test results specified maximum sorption of 21.5mgg(-1) for doxycycline in conditions of nano-sorbent at pH 7 and optimum time of 10min. Equilibrium adsorption data were analyzed by the Langmuir, Freundlich and Temkin models. Results showed that about 40% of doxycycline was released in simulated gastric fluid for the 30min and more than 70% was released in simulated intestinal fluid during 12h. These results were satisfactory and demonstrate that this new nano-sorbent modified with metal-organic framework had a good level of efficiency for drug delivery of doxycycline. Copyright © 2016 Elsevier B.V. All rights reserved.

An Analysis of Failure Handling in Chameleon, A Framework for Supporting Cost-Effective Fault Tolerant Services

NASA Technical Reports Server (NTRS)

Haakensen, Erik Edward

1998-01-01

The desire for low-cost reliable computing is increasing. Most current fault tolerant computing solutions are not very flexible, i.e., they cannot adapt to reliability requirements of newly emerging applications in business, commerce, and manufacturing. It is important that users have a flexible, reliable platform to support both critical and noncritical applications. Chameleon, under development at the Center for Reliable and High-Performance Computing at the University of Illinois, is a software framework. for supporting cost-effective adaptable networked fault tolerant service. This thesis details a simulation of fault injection, detection, and recovery in Chameleon. The simulation was written in C++ using the DEPEND simulation library. The results obtained from the simulation included the amount of overhead incurred by the fault detection and recovery mechanisms supported by Chameleon. In addition, information about fault scenarios from which Chameleon cannot recover was gained. The results of the simulation showed that both critical and noncritical applications can be executed in the Chameleon environment with a fairly small amount of overhead. No single point of failure from which Chameleon could not recover was found. Chameleon was also found to be capable of recovering from several multiple failure scenarios.

Numerical Propulsion System Simulation Architecture

NASA Technical Reports Server (NTRS)

Naiman, Cynthia G.

2004-01-01

The Numerical Propulsion System Simulation (NPSS) is a framework for performing analysis of complex systems. Because the NPSS was developed using the object-oriented paradigm, the resulting architecture is an extensible and flexible framework that is currently being used by a diverse set of participants in government, academia, and the aerospace industry. NPSS is being used by over 15 different institutions to support rockets, hypersonics, power and propulsion, fuel cells, ground based power, and aerospace. Full system-level simulations as well as subsystems may be modeled using NPSS. The NPSS architecture enables the coupling of analyses at various levels of detail, which is called numerical zooming. The middleware used to enable zooming and distributed simulations is the Common Object Request Broker Architecture (CORBA). The NPSS Developer's Kit offers tools for the developer to generate CORBA-based components and wrap codes. The Developer's Kit enables distributed multi-fidelity and multi-discipline simulations, preserves proprietary and legacy codes, and facilitates addition of customized codes. The platforms supported are PC, Linux, HP, Sun, and SGI.

A FRAMEWORK TO DESIGN AND OPTIMIZE CHEMICAL FLOODING PROCESSES

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

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2005-07-01

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

A Framework to Design and Optimize Chemical Flooding Processes

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

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2006-08-31

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

A FRAMEWORK TO DESIGN AND OPTIMIZE CHEMICAL FLOODING PROCESSES

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

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2004-11-01

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

Decision Manifold Approximation for Physics-Based Simulations

NASA Technical Reports Server (NTRS)

Wong, Jay Ming; Samareh, Jamshid A.

2016-01-01

With the recent surge of success in big-data driven deep learning problems, many of these frameworks focus on the notion of architecture design and utilizing massive databases. However, in some scenarios massive sets of data may be difficult, and in some cases infeasible, to acquire. In this paper we discuss a trajectory-based framework that quickly learns the underlying decision manifold of binary simulation classifications while judiciously selecting exploratory target states to minimize the number of required simulations. Furthermore, we draw particular attention to the simulation prediction application idealized to the case where failures in simulations can be predicted and avoided, providing machine intelligence to novice analysts. We demonstrate this framework in various forms of simulations and discuss its efficacy.

Old Dog New Tricks: Use of Point-based Crop Models in Grid-based Regional Assessment of Crop Management Technologies Impact on Future Food Security

NASA Astrophysics Data System (ADS)

Koo, J.; Wood, S.; Cenacchi, N.; Fisher, M.; Cox, C.

2012-12-01

HarvestChoice (harvestchoice.org) generates knowledge products to guide strategic investments to improve the productivity and profitability of smallholder farming systems in sub-Saharan Africa (SSA). A keynote component of the HarvestChoice analytical framework is a grid-based overlay of SSA - a cropping simulation platform powered by process-based, crop models. Calibrated around the best available representation of cropping production systems in SSA, the simulation platform engages the DSSAT Crop Systems Model with the CENTURY Soil Organic Matter model (DSSAT-CENTURY) and provides a virtual experimentation module with which to explore the impact of a range of technological, managerial and environmental metrics on future crop productivity and profitability, as well as input use. For each of 5 (or 30) arc-minute grid cells in SSA, a stack of model input underlies it: datasets that cover soil properties and fertility, historic and future climate scenarios and farmers' management practices; all compiled from analyses of existing global and regional databases and consultations with other CGIAR centers. Running a simulation model is not always straightforward, especially when certain cropping systems or management practices are not even practiced by resource-poor farmers yet (e.g., precision agriculture) or they were never included in the existing simulation framework (e.g., water harvesting). In such cases, we used DSSAT-CENTURY as a function to iteratively estimate relative responses of cropping systems to technology-driven changes in water and nutrient balances compared to zero-adoption by farmers, while adjusting model input parameters to best mimic farmers' implementation of technologies in the field. We then fed the results of the simulation into to the economic and food trade model framework, IMPACT, to assess the potential implications on future food security. The outputs of the overall simulation analyses are packaged as a web-accessible database and published on the web with an interface that allows users to explore the simulation results in each country with user-defined baseline and what-if scenarios. The results are dynamically presented on maps, charts, and tables. This paper discusses the development of the simulation platform and its underlying data layers, a case study that assessed the role of potential crop management technology development, and the development of a web-based application that visualizes the simulation results.

Integrating software architectures for distributed simulations and simulation analysis communities.

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

Goldsby, Michael E.; Fellig, Daniel; Linebarger, John Michael

2005-10-01

The one-year Software Architecture LDRD (No.79819) was a cross-site effort between Sandia California and Sandia New Mexico. The purpose of this research was to further develop and demonstrate integrating software architecture frameworks for distributed simulation and distributed collaboration in the homeland security domain. The integrated frameworks were initially developed through the Weapons of Mass Destruction Decision Analysis Center (WMD-DAC), sited at SNL/CA, and the National Infrastructure Simulation & Analysis Center (NISAC), sited at SNL/NM. The primary deliverable was a demonstration of both a federation of distributed simulations and a federation of distributed collaborative simulation analysis communities in the context ofmore » the same integrated scenario, which was the release of smallpox in San Diego, California. To our knowledge this was the first time such a combination of federations under a single scenario has ever been demonstrated. A secondary deliverable was the creation of the standalone GroupMeld{trademark} collaboration client, which uses the GroupMeld{trademark} synchronous collaboration framework. In addition, a small pilot experiment that used both integrating frameworks allowed a greater range of crisis management options to be performed and evaluated than would have been possible without the use of the frameworks.« less

Onyx-Advanced Aeropropulsion Simulation Framework Created

NASA Technical Reports Server (NTRS)

Reed, John A.

2001-01-01

The Numerical Propulsion System Simulation (NPSS) project at the NASA Glenn Research Center is developing a new software environment for analyzing and designing aircraft engines and, eventually, space transportation systems. Its purpose is to dramatically reduce the time, effort, and expense necessary to design and test jet engines by creating sophisticated computer simulations of an aerospace object or system (refs. 1 and 2). Through a university grant as part of that effort, researchers at the University of Toledo have developed Onyx, an extensible Java-based (Sun Micro-systems, Inc.), objectoriented simulation framework, to investigate how advanced software design techniques can be successfully applied to aeropropulsion system simulation (refs. 3 and 4). The design of Onyx's architecture enables users to customize and extend the framework to add new functionality or adapt simulation behavior as required. It exploits object-oriented technologies, such as design patterns, domain frameworks, and software components, to develop a modular system in which users can dynamically replace components with others having different functionality.

Experimental analysis of chaotic neural network models for combinatorial optimization under a unifying framework.

PubMed

Kwok, T; Smith, K A

2000-09-01

The aim of this paper is to study both the theoretical and experimental properties of chaotic neural network (CNN) models for solving combinatorial optimization problems. Previously we have proposed a unifying framework which encompasses the three main model types, namely, Chen and Aihara's chaotic simulated annealing (CSA) with decaying self-coupling, Wang and Smith's CSA with decaying timestep, and the Hopfield network with chaotic noise. Each of these models can be represented as a special case under the framework for certain conditions. This paper combines the framework with experimental results to provide new insights into the effect of the chaotic neurodynamics of each model. By solving the N-queen problem of various sizes with computer simulations, the CNN models are compared in different parameter spaces, with optimization performance measured in terms of feasibility, efficiency, robustness and scalability. Furthermore, characteristic chaotic neurodynamics crucial to effective optimization are identified, together with a guide to choosing the corresponding model parameters.

Structure simulation with calculated NMR parameters - integrating COSMOS into the CCPN framework.

PubMed

Schneider, Olaf; Fogh, Rasmus H; Sternberg, Ulrich; Klenin, Konstantin; Kondov, Ivan

2012-01-01

The Collaborative Computing Project for NMR (CCPN) has build a software framework consisting of the CCPN data model (with APIs) for NMR related data, the CcpNmr Analysis program and additional tools like CcpNmr FormatConverter. The open architecture allows for the integration of external software to extend the abilities of the CCPN framework with additional calculation methods. Recently, we have carried out the first steps for integrating our software Computer Simulation of Molecular Structures (COSMOS) into the CCPN framework. The COSMOS-NMR force field unites quantum chemical routines for the calculation of molecular properties with a molecular mechanics force field yielding the relative molecular energies. COSMOS-NMR allows introducing NMR parameters as constraints into molecular mechanics calculations. The resulting infrastructure will be made available for the NMR community. As a first application we have tested the evaluation of calculated protein structures using COSMOS-derived 13C Cα and Cβ chemical shifts. In this paper we give an overview of the methodology and a roadmap for future developments and applications.

Modelling Framework and the Quantitative Analysis of Distributed Energy Resources in Future Distribution Networks

NASA Astrophysics Data System (ADS)

Han, Xue; Sandels, Claes; Zhu, Kun; Nordström, Lars

2013-08-01

There has been a large body of statements claiming that the large-scale deployment of Distributed Energy Resources (DERs) could eventually reshape the future distribution grid operation in numerous ways. Thus, it is necessary to introduce a framework to measure to what extent the power system operation will be changed by various parameters of DERs. This article proposed a modelling framework for an overview analysis on the correlation between DERs. Furthermore, to validate the framework, the authors described the reference models of different categories of DERs with their unique characteristics, comprising distributed generation, active demand and electric vehicles. Subsequently, quantitative analysis was made on the basis of the current and envisioned DER deployment scenarios proposed for Sweden. Simulations are performed in two typical distribution network models for four seasons. The simulation results show that in general the DER deployment brings in the possibilities to reduce the power losses and voltage drops by compensating power from the local generation and optimizing the local load profiles.

Check-Cases for Verification of 6-Degree-of-Freedom Flight Vehicle Simulations. Volume 2; Appendices

NASA Technical Reports Server (NTRS)

Murri, Daniel G.; Jackson, E. Bruce; Shelton, Robert O.

2015-01-01

This NASA Engineering and Safety Center (NESC) assessment was established to develop a set of time histories for the flight behavior of increasingly complex example aerospacecraft that could be used to partially validate various simulation frameworks. The assessment was conducted by representatives from several NASA Centers and an open-source simulation project. This document contains details on models, implementation, and results.

A framework for service enterprise workflow simulation with multi-agents cooperation

NASA Astrophysics Data System (ADS)

Tan, Wenan; Xu, Wei; Yang, Fujun; Xu, Lida; Jiang, Chuanqun

2013-11-01

Process dynamic modelling for service business is the key technique for Service-Oriented information systems and service business management, and the workflow model of business processes is the core part of service systems. Service business workflow simulation is the prevalent approach to be used for analysis of service business process dynamically. Generic method for service business workflow simulation is based on the discrete event queuing theory, which is lack of flexibility and scalability. In this paper, we propose a service workflow-oriented framework for the process simulation of service businesses using multi-agent cooperation to address the above issues. Social rationality of agent is introduced into the proposed framework. Adopting rationality as one social factor for decision-making strategies, a flexible scheduling for activity instances has been implemented. A system prototype has been developed to validate the proposed simulation framework through a business case study.

ReaxFF molecular dynamics simulation of thermal stability of a Cu3(BTC)2 metal-organic framework.

PubMed

Huang, Liangliang; Joshi, Kaushik L; van Duin, Adri C T; Bandosz, Teresa J; Gubbins, Keith E

2012-08-28

The thermal stability of a dehydrated Cu(3)(BTC)(2) (copper(II) benzene 1,3,5-tricarboxylate) metal-organic framework was studied by molecular dynamics simulation with a ReaxFF reactive force field. The results show that Cu(3)(BTC)(2) is thermally stable up to 565 K. When the temperature increases between 600 K and 700 K, the framework starts to partially collapse. The RDF analysis shows that the long range correlations between Cu dimers disappear, indicating the loss of the main channels of Cu(3)(BTC)(2). When the temperature is above 800 K, we find the decomposition of the Cu(3)(BTC)(2) framework. CO is the major product, and we also observe the release of CO(2), O(2), 1,3,5-benzenetricarboxylate (C(6)H(3)(CO(2))(3), BTC) and glassy carbon. The Cu dimer is stable up to 1100 K, but we find the formation of new copper oxide clusters at 1100 K. These results are consistent with experimental findings, and provide valuable information for future theoretical investigations of Cu(3)(BTC)(2) and its application in adsorption, separation and catalytic processes.

A multi-GPU real-time dose simulation software framework for lung radiotherapy.

PubMed

Santhanam, A P; Min, Y; Neelakkantan, H; Papp, N; Meeks, S L; Kupelian, P A

2012-09-01

Medical simulation frameworks facilitate both the preoperative and postoperative analysis of the patient's pathophysical condition. Of particular importance is the simulation of radiation dose delivery for real-time radiotherapy monitoring and retrospective analyses of the patient's treatment. In this paper, a software framework tailored for the development of simulation-based real-time radiation dose monitoring medical applications is discussed. A multi-GPU-based computational framework coupled with inter-process communication methods is introduced for simulating the radiation dose delivery on a deformable 3D volumetric lung model and its real-time visualization. The model deformation and the corresponding dose calculation are allocated among the GPUs in a task-specific manner and is performed in a pipelined manner. Radiation dose calculations are computed on two different GPU hardware architectures. The integration of this computational framework with a front-end software layer and back-end patient database repository is also discussed. Real-time simulation of the dose delivered is achieved at once every 120 ms using the proposed framework. With a linear increase in the number of GPU cores, the computational time of the simulation was linearly decreased. The inter-process communication time also improved with an increase in the hardware memory. Variations in the delivered dose and computational speedup for variations in the data dimensions are investigated using D70 and D90 as well as gEUD as metrics for a set of 14 patients. Computational speed-up increased with an increase in the beam dimensions when compared with a CPU-based commercial software while the error in the dose calculation was <1%. Our analyses show that the framework applied to deformable lung model-based radiotherapy is an effective tool for performing both real-time and retrospective analyses.

Particle Acceleration in a Statistically Modeled Solar Active-Region Corona

NASA Astrophysics Data System (ADS)

Toutounzi, A.; Vlahos, L.; Isliker, H.; Dimitropoulou, M.; Anastasiadis, A.; Georgoulis, M.

2013-09-01

Elaborating a statistical approach to describe the spatiotemporally intermittent electric field structures formed inside a flaring solar active region, we investigate the efficiency of such structures in accelerating charged particles (electrons). The large-scale magnetic configuration in the solar atmosphere responds to the strong turbulent flows that convey perturbations across the active region by initiating avalanche-type processes. The resulting unstable structures correspond to small-scale dissipation regions hosting strong electric fields. Previous research on particle acceleration in strongly turbulent plasmas provides a general framework for addressing such a problem. This framework combines various electromagnetic field configurations obtained by magnetohydrodynamical (MHD) or cellular automata (CA) simulations, or by employing a statistical description of the field's strength and configuration with test particle simulations. Our objective is to complement previous work done on the subject. As in previous efforts, a set of three probability distribution functions describes our ad-hoc electromagnetic field configurations. In addition, we work on data-driven 3D magnetic field extrapolations. A collisional relativistic test-particle simulation traces each particle's guiding center within these configurations. We also find that an interplay between different electron populations (thermal/non-thermal, ambient/injected) in our simulations may also address, via a re-acceleration mechanism, the so called `number problem'. Using the simulated particle-energy distributions at different heights of the cylinder we test our results against observations, in the framework of the collisional thick target model (CTTM) of solar hard X-ray (HXR) emission. The above work is supported by the Hellenic National Space Weather Research Network (HNSWRN) via the THALIS Programme.

An Analytical Model for the Performance Analysis of Concurrent Transmission in IEEE 802.15.4

PubMed Central

Gezer, Cengiz; Zanella, Alberto; Verdone, Roberto

2014-01-01

Interference is a serious cause of performance degradation for IEEE802.15.4 devices. The effect of concurrent transmissions in IEEE 802.15.4 has been generally investigated by means of simulation or experimental activities. In this paper, a mathematical framework for the derivation of chip, symbol and packet error probability of a typical IEEE 802.15.4 receiver in the presence of interference is proposed. Both non-coherent and coherent demodulation schemes are considered by our model under the assumption of the absence of thermal noise. Simulation results are also added to assess the validity of the mathematical framework when the effect of thermal noise cannot be neglected. Numerical results show that the proposed analysis is in agreement with the measurement results on the literature under realistic working conditions. PMID:24658624

An analytical model for the performance analysis of concurrent transmission in IEEE 802.15.4.

PubMed

Gezer, Cengiz; Zanella, Alberto; Verdone, Roberto

2014-03-20

Interference is a serious cause of performance degradation for IEEE802.15.4 devices. The effect of concurrent transmissions in IEEE 802.15.4 has been generally investigated by means of simulation or experimental activities. In this paper, a mathematical framework for the derivation of chip, symbol and packet error probability of a typical IEEE 802.15.4 receiver in the presence of interference is proposed. Both non-coherent and coherent demodulation schemes are considered by our model under the assumption of the absence of thermal noise. Simulation results are also added to assess the validity of the mathematical framework when the effect of thermal noise cannot be neglected. Numerical results show that the proposed analysis is in agreement with the measurement results on the literature under realistic working conditions.

Online model checking approach based parameter estimation to a neuronal fate decision simulation model in Caenorhabditis elegans with hybrid functional Petri net with extension.

PubMed

Li, Chen; Nagasaki, Masao; Koh, Chuan Hock; Miyano, Satoru

2011-05-01

Mathematical modeling and simulation studies are playing an increasingly important role in helping researchers elucidate how living organisms function in cells. In systems biology, researchers typically tune many parameters manually to achieve simulation results that are consistent with biological knowledge. This severely limits the size and complexity of simulation models built. In order to break this limitation, we propose a computational framework to automatically estimate kinetic parameters for a given network structure. We utilized an online (on-the-fly) model checking technique (which saves resources compared to the offline approach), with a quantitative modeling and simulation architecture named hybrid functional Petri net with extension (HFPNe). We demonstrate the applicability of this framework by the analysis of the underlying model for the neuronal cell fate decision model (ASE fate model) in Caenorhabditis elegans. First, we built a quantitative ASE fate model containing 3327 components emulating nine genetic conditions. Then, using our developed efficient online model checker, MIRACH 1.0, together with parameter estimation, we ran 20-million simulation runs, and were able to locate 57 parameter sets for 23 parameters in the model that are consistent with 45 biological rules extracted from published biological articles without much manual intervention. To evaluate the robustness of these 57 parameter sets, we run another 20 million simulation runs using different magnitudes of noise. Our simulation results concluded that among these models, one model is the most reasonable and robust simulation model owing to the high stability against these stochastic noises. Our simulation results provide interesting biological findings which could be used for future wet-lab experiments.

Frameworks for Assessing the Quality of Modeling and Simulation Capabilities

NASA Astrophysics Data System (ADS)

Rider, W. J.

2012-12-01

The importance of assuring quality in modeling and simulation has spawned several frameworks for structuring the examination of quality. The format and content of these frameworks provides an emphasis, completeness and flow to assessment activities. I will examine four frameworks that have been developed and describe how they can be improved and applied to a broader set of high consequence applications. Perhaps the first of these frameworks was known as CSAU [Boyack] (code scaling, applicability and uncertainty) used for nuclear reactor safety and endorsed the United States' Nuclear Regulatory Commission (USNRC). This framework was shaped by nuclear safety practice, and the practical structure needed after the Three Mile Island accident. It incorporated the dominant experimental program, the dominant analysis approach, and concerns about the quality of modeling. The USNRC gave it the force of law that made the nuclear industry take it seriously. After the cessation of nuclear weapons' testing the United States began a program of examining the reliability of these weapons without testing. This program utilizes science including theory, modeling, simulation and experimentation to replace the underground testing. The emphasis on modeling and simulation necessitated attention on the quality of these simulations. Sandia developed the PCMM (predictive capability maturity model) to structure this attention [Oberkampf]. PCMM divides simulation into six core activities to be examined and graded relative to the needs of the modeling activity. NASA [NASA] has built yet another framework in response to the tragedy of the space shuttle accidents. Finally, Ben-Haim and Hemez focus upon modeling robustness and predictive fidelity in another approach. These frameworks are similar, and applied in a similar fashion. The adoption of these frameworks at Sandia and NASA has been slow and arduous because the force of law has not assisted acceptance. All existing frameworks are incomplete and need to be extended incorporating elements from the other as well as new elements related to how models are solved, and how the model will be applied. I will describe this merger of approach and how it should be applied. The problems in adoption are related to basic human nature in that no one likes to be graded, or told they are not sufficiently quality oriented. Rather than engage in an adversarial role, I suggest that the frameworks be viewed as a collaborative tool. Instead these frameworks should be used to structure collaborations that can be used to assist the modeling and simulation efforts to be high quality. The framework provides a comprehensive setting of modeling and simulation themes that should be explored in providing high quality. W. Oberkampf, M. Pilch, and T. Trucano, Predictive Capability Maturity Model for Computational Modeling and Simulation, SAND2007-5948, 2007. B. Boyack, Quantifying Reactor Safety Margins Part 1: An Overview of the Code Scaling, Applicability, and Uncertainty Evaluation Methodology, Nuc. Eng. Design, 119, pp. 1-15, 1990. National Aeronautics and Space Administration, STANDARD FOR MODELS AND SIMULATIONS, NASA-STD-7009, 2008. Y. Ben-Haim and F. Hemez, Robustness, fidelity and prediction-looseness of models, Proc. R. Soc. A (2012) 468, 227-244.

Dynamics simulations for engineering macromolecular interactions

NASA Astrophysics Data System (ADS)

Robinson-Mosher, Avi; Shinar, Tamar; Silver, Pamela A.; Way, Jeffrey

2013-06-01

The predictable engineering of well-behaved transcriptional circuits is a central goal of synthetic biology. The artificial attachment of promoters to transcription factor genes usually results in noisy or chaotic behaviors, and such systems are unlikely to be useful in practical applications. Natural transcriptional regulation relies extensively on protein-protein interactions to insure tightly controlled behavior, but such tight control has been elusive in engineered systems. To help engineer protein-protein interactions, we have developed a molecular dynamics simulation framework that simplifies features of proteins moving by constrained Brownian motion, with the goal of performing long simulations. The behavior of a simulated protein system is determined by summation of forces that include a Brownian force, a drag force, excluded volume constraints, relative position constraints, and binding constraints that relate to experimentally determined on-rates and off-rates for chosen protein elements in a system. Proteins are abstracted as spheres. Binding surfaces are defined radially within a protein. Peptide linkers are abstracted as small protein-like spheres with rigid connections. To address whether our framework could generate useful predictions, we simulated the behavior of an engineered fusion protein consisting of two 20 000 Da proteins attached by flexible glycine/serine-type linkers. The two protein elements remained closely associated, as if constrained by a random walk in three dimensions of the peptide linker, as opposed to showing a distribution of distances expected if movement were dominated by Brownian motion of the protein domains only. We also simulated the behavior of fluorescent proteins tethered by a linker of varying length, compared the predicted Förster resonance energy transfer with previous experimental observations, and obtained a good correspondence. Finally, we simulated the binding behavior of a fusion of two ligands that could simultaneously bind to distinct cell-surface receptors, and explored the landscape of linker lengths and stiffnesses that could enhance receptor binding of one ligand when the other ligand has already bound to its receptor, thus, addressing potential mechanisms for improving targeted signal transduction proteins. These specific results have implications for the design of targeted fusion proteins and artificial transcription factors involving fusion of natural domains. More broadly, the simulation framework described here could be extended to include more detailed system features such as non-spherical protein shapes and electrostatics, without requiring detailed, computationally expensive specifications. This framework should be useful in predicting behavior of engineered protein systems including binding and dissociation reactions.

Dynamics simulations for engineering macromolecular interactions.

PubMed

Robinson-Mosher, Avi; Shinar, Tamar; Silver, Pamela A; Way, Jeffrey

2013-06-01

The predictable engineering of well-behaved transcriptional circuits is a central goal of synthetic biology. The artificial attachment of promoters to transcription factor genes usually results in noisy or chaotic behaviors, and such systems are unlikely to be useful in practical applications. Natural transcriptional regulation relies extensively on protein-protein interactions to insure tightly controlled behavior, but such tight control has been elusive in engineered systems. To help engineer protein-protein interactions, we have developed a molecular dynamics simulation framework that simplifies features of proteins moving by constrained Brownian motion, with the goal of performing long simulations. The behavior of a simulated protein system is determined by summation of forces that include a Brownian force, a drag force, excluded volume constraints, relative position constraints, and binding constraints that relate to experimentally determined on-rates and off-rates for chosen protein elements in a system. Proteins are abstracted as spheres. Binding surfaces are defined radially within a protein. Peptide linkers are abstracted as small protein-like spheres with rigid connections. To address whether our framework could generate useful predictions, we simulated the behavior of an engineered fusion protein consisting of two 20,000 Da proteins attached by flexible glycine/serine-type linkers. The two protein elements remained closely associated, as if constrained by a random walk in three dimensions of the peptide linker, as opposed to showing a distribution of distances expected if movement were dominated by Brownian motion of the protein domains only. We also simulated the behavior of fluorescent proteins tethered by a linker of varying length, compared the predicted Förster resonance energy transfer with previous experimental observations, and obtained a good correspondence. Finally, we simulated the binding behavior of a fusion of two ligands that could simultaneously bind to distinct cell-surface receptors, and explored the landscape of linker lengths and stiffnesses that could enhance receptor binding of one ligand when the other ligand has already bound to its receptor, thus, addressing potential mechanisms for improving targeted signal transduction proteins. These specific results have implications for the design of targeted fusion proteins and artificial transcription factors involving fusion of natural domains. More broadly, the simulation framework described here could be extended to include more detailed system features such as non-spherical protein shapes and electrostatics, without requiring detailed, computationally expensive specifications. This framework should be useful in predicting behavior of engineered protein systems including binding and dissociation reactions.

Clinical simulation practise framework.

PubMed

Khalili, Hossein

2015-02-01

Historically, simulation has mainly been used to teach students hands-on skills in a relatively safe environment. With changes in the patient population, professional regulations and clinical environments, clinical simulation practise (CSP) must assist students to integrate and apply their theoretical knowledge and skills with their critical thinking, clinical judgement, prioritisation, problem solving, decision making, and teamwork skills to provide holistic care and treatment to their patients. CSP holds great potential to derive a positive transformation in students' transition into the workplace, by associating and consolidating learning from classrooms to clinical settings, and creating bridges between theory and practice. For CSP to be successful in filling the gap, the design and management of the simulation is crucial. In this article a new framework called 'Clinical simulation practise framework: A knowledge to action strategy in health professional education' is being introduced that aims to assist educators and curriculum developers in designing and managing their simulations. This CSP framework theorises that simulation as an experiential educational tool could improve students' competence, confidence and collaboration in performing professional practice in real settings if the CSP provides the following three dimensions: (1) a safe, positive, reflective and fun simulated learning environment; (2) challenging, but realistic, and integrated simulated scenarios; and (3) interactive, inclusive, interprofessional patient-centred simulated practise. © 2015 John Wiley & Sons Ltd.

Benchmarking hydrological model predictive capability for UK River flows and flood peaks.

NASA Astrophysics Data System (ADS)

Lane, Rosanna; Coxon, Gemma; Freer, Jim; Wagener, Thorsten

2017-04-01

Data and hydrological models are now available for national hydrological analyses. However, hydrological model performance varies between catchments, and lumped, conceptual models are not able to produce adequate simulations everywhere. This study aims to benchmark hydrological model performance for catchments across the United Kingdom within an uncertainty analysis framework. We have applied four hydrological models from the FUSE framework to 1128 catchments across the UK. These models are all lumped models and run at a daily timestep, but differ in the model structural architecture and process parameterisations, therefore producing different but equally plausible simulations. We apply FUSE over a 20 year period from 1988-2008, within a GLUE Monte Carlo uncertainty analyses framework. Model performance was evaluated for each catchment, model structure and parameter set using standard performance metrics. These were calculated both for the whole time series and to assess seasonal differences in model performance. The GLUE uncertainty analysis framework was then applied to produce simulated 5th and 95th percentile uncertainty bounds for the daily flow time-series and additionally the annual maximum prediction bounds for each catchment. The results show that the model performance varies significantly in space and time depending on catchment characteristics including climate, geology and human impact. We identify regions where models are systematically failing to produce good results, and present reasons why this could be the case. We also identify regions or catchment characteristics where one model performs better than others, and have explored what structural component or parameterisation enables certain models to produce better simulations in these catchments. Model predictive capability was assessed for each catchment, through looking at the ability of the models to produce discharge prediction bounds which successfully bound the observed discharge. These results improve our understanding of the predictive capability of simple conceptual hydrological models across the UK and help us to identify where further effort is needed to develop modelling approaches to better represent different catchment and climate typologies.

A framework to enhance security of physically unclonable functions using chaotic circuits

NASA Astrophysics Data System (ADS)

Chen, Lanxiang

2018-05-01

As a new technique for authentication and key generation, physically unclonable function (PUF) has attracted considerable attentions, with extensive research results achieved already. To resist the popular machine learning modeling attacks, a framework to enhance the security of PUFs is proposed. The basic idea is to combine PUFs with a chaotic system of which the response is highly sensitive to initial conditions. For this framework, a specific construction which combines the common arbiter PUF circuit, a converter, and the Chua's circuit is given to implement a more secure PUF. Simulation experiments are presented to further validate the framework. Finally, some practical suggestions for the framework and specific construction are also discussed.

Local Spatial Analysis and Dynamic Simulation of Childhood Obesity and Neighbourhood Walkability in a Major Canadian City.

PubMed

Shahid, Rizwan; Bertazzon, Stefania

2015-01-01

Body weight is an important indicator of current and future health and it is even more critical in children, who are tomorrow's adults. This paper analyzes the relationship between childhood obesity and neighbourhood walkability in Calgary, Canada. A multivariate analytical framework recognizes that childhood obesity is also associated with many factors, including socioeconomic status, foodscapes, and environmental factors, as well as less measurable factors, such as individual preferences, that could not be included in this analysis. In contrast with more conventional global analysis, this research employs localized analysis and assesses need-based interventions. The one-size-fit-all strategy may not effectively control obesity rates, since each neighbourhood has unique characteristics that need to be addressed individually. This paper presents an innovative framework combining local analysis with simulation modeling to analyze childhood obesity. Spatial models generally do not deal with simulation over time, making it cumbersome for health planners and policy makers to effectively design and implement interventions and to quantify their impact over time. This research fills this gap by integrating geographically weighted regression (GWR), which identifies vulnerable neighbourhoods and critical factors for childhood obesity, with simulation modeling, which evaluates the impact of the suggested interventions on the targeted neighbourhoods. Neighbourhood walkability was chosen as a potential target for localized interventions, owing to the crucial role of walking in developing a healthy lifestyle, as well as because increasing walkability is relatively more feasible and less expensive then modifying other factors, such as income. Simulation results suggest that local walkability interventions can achieve measurable declines in childhood obesity rates. The results are encouraging, as improvements are likely to compound over time. The results demonstrate that the integration of GWR and simulation modeling is effective, and the proposed framework can assist in designing local interventions to control and prevent childhood obesity.

A Framework for Simulating Turbine-Based Combined-Cycle Inlet Mode-Transition

NASA Technical Reports Server (NTRS)

Le, Dzu K.; Vrnak, Daniel R.; Slater, John W.; Hessel, Emil O.

2012-01-01

A simulation framework based on the Memory-Mapped-Files technique was created to operate multiple numerical processes in locked time-steps and send I/O data synchronously across to one-another to simulate system-dynamics. This simulation scheme is currently used to study the complex interactions between inlet flow-dynamics, variable-geometry actuation mechanisms, and flow-controls in the transition from the supersonic to hypersonic conditions and vice-versa. A study of Mode-Transition Control for a high-speed inlet wind-tunnel model with this MMF-based framework is presented to illustrate this scheme and demonstrate its usefulness in simulating supersonic and hypersonic inlet dynamics and controls or other types of complex systems.

Towards a Theoretical Framework for Educational Simulations.

ERIC Educational Resources Information Center

Winer, Laura R.; Vazquez-Abad, Jesus

1981-01-01

Discusses the need for a sustained and systematic effort toward establishing a theoretical framework for educational simulations, proposes the adaptation of models borrowed from the natural and applied sciences, and describes three simulations based on such a model adapted using Brunerian learning theory. Sixteen references are listed. (LLS)

Competency-Based Training and Simulation: Making a "Valid" Argument.

PubMed

Noureldin, Yasser A; Lee, Jason Y; McDougall, Elspeth M; Sweet, Robert M

2018-02-01

The use of simulation as an assessment tool is much more controversial than is its utility as an educational tool. However, without valid simulation-based assessment tools, the ability to objectively assess technical skill competencies in a competency-based medical education framework will remain challenging. The current literature in urologic simulation-based training and assessment uses a definition and framework of validity that is now outdated. This is probably due to the absence of awareness rather than an absence of comprehension. The following review article provides the urologic community an updated taxonomy on validity theory as it relates to simulation-based training and assessments and translates our simulation literature to date into this framework. While the old taxonomy considered validity as distinct subcategories and focused on the simulator itself, the modern taxonomy, for which we translate the literature evidence, considers validity as a unitary construct with a focus on interpretation of simulator data/scores.

Serious simulation game development for energy transition education using integrated framework game design

NASA Astrophysics Data System (ADS)

Destyanto, A. R.; Putri, O. A.; Hidayatno, A.

2017-11-01

Due to the advantages that serious simulation game offered, many areas of studies, including energy, have used serious simulation games as their instruments. However, serious simulation games in the field of energy transition still have few attentions. In this study, serious simulation game is developed and tested as the activity of public education about energy transition which is a conversion from oil to natural gas program. The aim of the game development is to create understanding and awareness about the importance of energy transition for society in accelerating the process of energy transition in Indonesia since 1987 the energy transition program has not achieved the conversion target yet due to the lack of education about energy transition for society. Developed as a digital serious simulation game following the framework of integrated game design, the Transergy game has been tested to 15 users and then analysed. The result of verification and validation of the game shows that Transergy gives significance to the users for understanding and triggering the needs of oil to natural gas conversion.

Framework for Architecture Trade Study Using MBSE and Performance Simulation

NASA Technical Reports Server (NTRS)

Ryan, Jessica; Sarkani, Shahram; Mazzuchim, Thomas

2012-01-01

Increasing complexity in modern systems as well as cost and schedule constraints require a new paradigm of system engineering to fulfill stakeholder needs. Challenges facing efficient trade studies include poor tool interoperability, lack of simulation coordination (design parameters) and requirements flowdown. A recent trend toward Model Based System Engineering (MBSE) includes flexible architecture definition, program documentation, requirements traceability and system engineering reuse. As a new domain MBSE still lacks governing standards and commonly accepted frameworks. This paper proposes a framework for efficient architecture definition using MBSE in conjunction with Domain Specific simulation to evaluate trade studies. A general framework is provided followed with a specific example including a method for designing a trade study, defining candidate architectures, planning simulations to fulfill requirements and finally a weighted decision analysis to optimize system objectives.

Developing and Implementing a Framework of Participatory Simulation for Mobile Learning Using Scaffolding

ERIC Educational Resources Information Center

Yin, Chengjiu; Song, Yanjie; Tabata, Yoshiyuki; Ogata, Hiroaki; Hwang, Gwo-Jen

2013-01-01

This paper proposes a conceptual framework, scaffolding participatory simulation for mobile learning (SPSML), used on mobile devices for helping students learn conceptual knowledge in the classroom. As the pedagogical design, the framework adopts an experiential learning model, which consists of five sequential but cyclic steps: the initial stage,…

Modeling and simulating industrial land-use evolution in Shanghai, China

NASA Astrophysics Data System (ADS)

Qiu, Rongxu; Xu, Wei; Zhang, John; Staenz, Karl

2018-01-01

This study proposes a cellular automata-based Industrial and Residential Land Use Competition Model to simulate the dynamic spatial transformation of industrial land use in Shanghai, China. In the proposed model, land development activities in a city are delineated as competitions among different land-use types. The Hedonic Land Pricing Model is adopted to implement the competition framework. To improve simulation results, the Land Price Agglomeration Model was devised to simulate and adjust classic land price theory. A new evolutionary algorithm-based parameter estimation method was devised in place of traditional methods. Simulation results show that the proposed model closely resembles actual land transformation patterns and the model can not only simulate land development, but also redevelopment processes in metropolitan areas.

Effect of Ionic Diffusion on Extracellular Potentials in Neural Tissue

PubMed Central

Halnes, Geir; Mäki-Marttunen, Tuomo; Keller, Daniel; Pettersen, Klas H.; Andreassen, Ole A.

2016-01-01

Recorded potentials in the extracellular space (ECS) of the brain is a standard measure of population activity in neural tissue. Computational models that simulate the relationship between the ECS potential and its underlying neurophysiological processes are commonly used in the interpretation of such measurements. Standard methods, such as volume-conductor theory and current-source density theory, assume that diffusion has a negligible effect on the ECS potential, at least in the range of frequencies picked up by most recording systems. This assumption remains to be verified. We here present a hybrid simulation framework that accounts for diffusive effects on the ECS potential. The framework uses (1) the NEURON simulator to compute the activity and ionic output currents from multicompartmental neuron models, and (2) the electrodiffusive Kirchhoff-Nernst-Planck framework to simulate the resulting dynamics of the potential and ion concentrations in the ECS, accounting for the effect of electrical migration as well as diffusion. Using this framework, we explore the effect that ECS diffusion has on the electrical potential surrounding a small population of 10 pyramidal neurons. The neural model was tuned so that simulations over ∼100 seconds of biological time led to shifts in ECS concentrations by a few millimolars, similar to what has been seen in experiments. By comparing simulations where ECS diffusion was absent with simulations where ECS diffusion was included, we made the following key findings: (i) ECS diffusion shifted the local potential by up to ∼0.2 mV. (ii) The power spectral density (PSD) of the diffusion-evoked potential shifts followed a 1/f2 power law. (iii) Diffusion effects dominated the PSD of the ECS potential for frequencies up to several hertz. In scenarios with large, but physiologically realistic ECS concentration gradients, diffusion was thus found to affect the ECS potential well within the frequency range picked up in experimental recordings. PMID:27820827

Investigation of hydrometeor classification uncertainties through the POLARRIS polarimetric radar simulator

NASA Astrophysics Data System (ADS)

Dolan, B.; Rutledge, S. A.; Barnum, J. I.; Matsui, T.; Tao, W. K.; Iguchi, T.

2017-12-01

POLarimetric Radar Retrieval and Instrument Simulator (POLARRIS) is a framework that has been developed to simulate radar observations from cloud resolving model (CRM) output and subject model data and observations to the same retrievals, analysis and visualization. This framework not only enables validation of bulk microphysical model simulated properties, but also offers an opportunity to study the uncertainties associated with retrievals such as hydrometeor classification (HID). For the CSU HID, membership beta functions (MBFs) are built using a set of simulations with realistic microphysical assumptions about axis ratio, density, canting angles, size distributions for each of ten hydrometeor species. These assumptions are tested using POLARRIS to understand their influence on the resulting simulated polarimetric data and final HID classification. Several of these parameters (density, size distributions) are set by the model microphysics, and therefore the specific assumptions of axis ratio and canting angle are carefully studied. Through these sensitivity studies, we hope to be able to provide uncertainties in retrieved polarimetric variables and HID as applied to CRM output. HID retrievals assign a classification to each point by determining the highest score, thereby identifying the dominant hydrometeor type within a volume. However, in nature, there is rarely just one a single hydrometeor type at a particular point. Models allow for mixing ratios of different hydrometeors within a grid point. We use the mixing ratios from CRM output in concert with the HID scores and classifications to understand how the HID algorithm can provide information about mixtures within a volume, as well as calculate a confidence in the classifications. We leverage the POLARRIS framework to additionally probe radar wavelength differences toward the possibility of a multi-wavelength HID which could utilize the strengths of different wavelengths to improve HID classifications. With these uncertainties and algorithm improvements, cases of convection are studied in a continental (Oklahoma) and maritime (Darwin, Australia) regime. Observations from C-band polarimetric data in both locations are compared to CRM simulations from NU-WRF using the POLARRIS framework.

Effect of Ionic Diffusion on Extracellular Potentials in Neural Tissue.

PubMed

Halnes, Geir; Mäki-Marttunen, Tuomo; Keller, Daniel; Pettersen, Klas H; Andreassen, Ole A; Einevoll, Gaute T

2016-11-01

Recorded potentials in the extracellular space (ECS) of the brain is a standard measure of population activity in neural tissue. Computational models that simulate the relationship between the ECS potential and its underlying neurophysiological processes are commonly used in the interpretation of such measurements. Standard methods, such as volume-conductor theory and current-source density theory, assume that diffusion has a negligible effect on the ECS potential, at least in the range of frequencies picked up by most recording systems. This assumption remains to be verified. We here present a hybrid simulation framework that accounts for diffusive effects on the ECS potential. The framework uses (1) the NEURON simulator to compute the activity and ionic output currents from multicompartmental neuron models, and (2) the electrodiffusive Kirchhoff-Nernst-Planck framework to simulate the resulting dynamics of the potential and ion concentrations in the ECS, accounting for the effect of electrical migration as well as diffusion. Using this framework, we explore the effect that ECS diffusion has on the electrical potential surrounding a small population of 10 pyramidal neurons. The neural model was tuned so that simulations over ∼100 seconds of biological time led to shifts in ECS concentrations by a few millimolars, similar to what has been seen in experiments. By comparing simulations where ECS diffusion was absent with simulations where ECS diffusion was included, we made the following key findings: (i) ECS diffusion shifted the local potential by up to ∼0.2 mV. (ii) The power spectral density (PSD) of the diffusion-evoked potential shifts followed a 1/f2 power law. (iii) Diffusion effects dominated the PSD of the ECS potential for frequencies up to several hertz. In scenarios with large, but physiologically realistic ECS concentration gradients, diffusion was thus found to affect the ECS potential well within the frequency range picked up in experimental recordings.

Simulation Framework for Rapid Entry, Descent, and Landing (EDL) Analysis. Volume 2; Appendices

NASA Technical Reports Server (NTRS)

Murri, Daniel G.

2010-01-01

The NASA Engineering and Safety Center (NESC) was requested to establish the Simulation Framework for Rapid Entry, Descent, and Landing (EDL) Analysis assessment, which involved development of an enhanced simulation architecture using the Program to Optimize Simulated Trajectories II (POST2) simulation tool. The assessment was requested to enhance the capability of the Agency to provide rapid evaluation of EDL characteristics in systems analysis studies, preliminary design, mission development and execution, and time-critical assessments. Many of the new simulation framework capabilities were developed to support the Agency EDL Systems Analysis (EDL-SA) team, that is conducting studies of the technologies and architectures that are required to enable higher mass robotic and human mission to Mars. The appendices to the original report are contained in this document.

Simulation Framework for Rapid Entry, Descent, and Landing (EDL) Analysis. Volume 1

NASA Technical Reports Server (NTRS)

Murri, Daniel G.

2010-01-01

The NASA Engineering and Safety Center (NESC) was requested to establish the Simulation Framework for Rapid Entry, Descent, and Landing (EDL) Analysis assessment, which involved development of an enhanced simulation architecture using the Program to Optimize Simulated Trajectories II (POST2) simulation tool. The assessment was requested to enhance the capability of the Agency to provide rapid evaluation of EDL characteristics in systems analysis studies, preliminary design, mission development and execution, and time-critical assessments. Many of the new simulation framework capabilities were developed to support the Agency EDL Systems Analysis (EDL-SA) team, that is conducting studies of the technologies and architectures that are required to enable higher mass robotic and human mission to Mars. The findings of the assessment are contained in this report.

POLARIS: Agent-based modeling framework development and implementation for integrated travel demand and network and operations simulations

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

Auld, Joshua; Hope, Michael; Ley, Hubert

This paper discusses the development of an agent-based modelling software development kit, and the implementation and validation of a model using it that integrates dynamic simulation of travel demand, network supply and network operations. A description is given of the core utilities in the kit: a parallel discrete event engine, interprocess exchange engine, and memory allocator, as well as a number of ancillary utilities: visualization library, database IO library, and scenario manager. The overall framework emphasizes the design goals of: generality, code agility, and high performance. This framework allows the modeling of several aspects of transportation system that are typicallymore » done with separate stand-alone software applications, in a high-performance and extensible manner. The issue of integrating such models as dynamic traffic assignment and disaggregate demand models has been a long standing issue for transportation modelers. The integrated approach shows a possible way to resolve this difficulty. The simulation model built from the POLARIS framework is a single, shared-memory process for handling all aspects of the integrated urban simulation. The resulting gains in computational efficiency and performance allow planning models to be extended to include previously separate aspects of the urban system, enhancing the utility of such models from the planning perspective. Initial tests with case studies involving traffic management center impacts on various network events such as accidents, congestion and weather events, show the potential of the system.« less

Uncertainty quantification in LES of channel flow

DOE PAGES

Safta, Cosmin; Blaylock, Myra; Templeton, Jeremy; ...

2016-07-12

Here, in this paper, we present a Bayesian framework for estimating joint densities for large eddy simulation (LES) sub-grid scale model parameters based on canonical forced isotropic turbulence direct numerical simulation (DNS) data. The framework accounts for noise in the independent variables, and we present alternative formulations for accounting for discrepancies between model and data. To generate probability densities for flow characteristics, posterior densities for sub-grid scale model parameters are propagated forward through LES of channel flow and compared with DNS data. Synthesis of the calibration and prediction results demonstrates that model parameters have an explicit filter width dependence andmore » are highly correlated. Discrepancies between DNS and calibrated LES results point to additional model form inadequacies that need to be accounted for.« less

Hierarchical control and performance evaluation of multi-vehicle autonomous systems

NASA Astrophysics Data System (ADS)

Balakirsky, Stephen; Scrapper, Chris; Messina, Elena

2005-05-01

This paper will describe how the Mobility Open Architecture Tools and Simulation (MOAST) framework can facilitate performance evaluations of RCS compliant multi-vehicle autonomous systems. This framework provides an environment that allows for simulated and real architectural components to function seamlessly together. By providing repeatable environmental conditions, this framework allows for the development of individual components as well as component performance metrics. MOAST is composed of high-fidelity and low-fidelity simulation systems, a detailed model of real-world terrain, actual hardware components, a central knowledge repository, and architectural glue to tie all of the components together. This paper will describe the framework"s components in detail and provide an example that illustrates how the framework can be utilized to develop and evaluate a single architectural component through the use of repeatable trials and experimentation that includes both virtual and real components functioning together

A Biophysical Modeling Framework for Assessing the Environmental Impact of Biofuel Production

NASA Astrophysics Data System (ADS)

Zhang, X.; Izaurradle, C.; Manowitz, D.; West, T. O.; Post, W. M.; Thomson, A. M.; Nichols, J.; Bandaru, V.; Williams, J. R.

2009-12-01

Long-term sustainability of a biofuel economy necessitates environmentally friendly biofuel production systems. We describe a biophysical modeling framework developed to understand and quantify the environmental value and impact (e.g. water balance, nutrients balance, carbon balance, and soil quality) of different biomass cropping systems. This modeling framework consists of three major components: 1) a Geographic Information System (GIS) based data processing system, 2) a spatially-explicit biophysical modeling approach, and 3) a user friendly information distribution system. First, we developed a GIS to manage the large amount of geospatial data (e.g. climate, land use, soil, and hydrograhy) and extract input information for the biophysical model. Second, the Environmental Policy Integrated Climate (EPIC) biophysical model is used to predict the impact of various cropping systems and management intensities on productivity, water balance, and biogeochemical variables. Finally, a geo-database is developed to distribute the results of ecosystem service variables (e.g. net primary productivity, soil carbon balance, soil erosion, nitrogen and phosphorus losses, and N2O fluxes) simulated by EPIC for each spatial modeling unit online using PostgreSQL. We applied this framework in a Regional Intensive Management Area (RIMA) of 9 counties in Michigan. A total of 4,833 spatial units with relatively homogeneous biophysical properties were derived using SSURGO, Crop Data Layer, County, and 10-digit watershed boundaries. For each unit, EPIC was executed from 1980 to 2003 under 54 cropping scenarios (eg. corn, switchgrass, and hybrid poplar). The simulation results were compared with historical crop yields from USDA NASS. Spatial mapping of the results show high variability among different cropping scenarios in terms of the simulated ecosystem services variables. Overall, the framework developed in this study enables the incorporation of environmental factors into economic and life-cycle analysis in order to optimize biomass cropping production scenarios.

A Unified Framework for Brain Segmentation in MR Images

PubMed Central

Yazdani, S.; Yusof, R.; Karimian, A.; Riazi, A. H.; Bennamoun, M.

2015-01-01

Brain MRI segmentation is an important issue for discovering the brain structure and diagnosis of subtle anatomical changes in different brain diseases. However, due to several artifacts brain tissue segmentation remains a challenging task. The aim of this paper is to improve the automatic segmentation of brain into gray matter, white matter, and cerebrospinal fluid in magnetic resonance images (MRI). We proposed an automatic hybrid image segmentation method that integrates the modified statistical expectation-maximization (EM) method and the spatial information combined with support vector machine (SVM). The combined method has more accurate results than what can be achieved with its individual techniques that is demonstrated through experiments on both real data and simulated images. Experiments are carried out on both synthetic and real MRI. The results of proposed technique are evaluated against manual segmentation results and other methods based on real T1-weighted scans from Internet Brain Segmentation Repository (IBSR) and simulated images from BrainWeb. The Kappa index is calculated to assess the performance of the proposed framework relative to the ground truth and expert segmentations. The results demonstrate that the proposed combined method has satisfactory results on both simulated MRI and real brain datasets. PMID:26089978

Gathering Validity Evidence for Surgical Simulation: A Systematic Review.

PubMed

Borgersen, Nanna Jo; Naur, Therese M H; Sørensen, Stine M D; Bjerrum, Flemming; Konge, Lars; Subhi, Yousif; Thomsen, Ann Sofia S

2018-06-01

To identify current trends in the use of validity frameworks in surgical simulation, to provide an overview of the evidence behind the assessment of technical skills in all surgical specialties, and to present recommendations and guidelines for future validity studies. Validity evidence for assessment tools used in the evaluation of surgical performance is of paramount importance to ensure valid and reliable assessment of skills. We systematically reviewed the literature by searching 5 databases (PubMed, EMBASE, Web of Science, PsycINFO, and the Cochrane Library) for studies published from January 1, 2008, to July 10, 2017. We included original studies evaluating simulation-based assessments of health professionals in surgical specialties and extracted data on surgical specialty, simulator modality, participant characteristics, and the validity framework used. Data were synthesized qualitatively. We identified 498 studies with a total of 18,312 participants. Publications involving validity assessments in surgical simulation more than doubled from 2008 to 2010 (∼30 studies/year) to 2014 to 2016 (∼70 to 90 studies/year). Only 6.6% of the studies used the recommended contemporary validity framework (Messick). The majority of studies used outdated frameworks such as face validity. Significant differences were identified across surgical specialties. The evaluated assessment tools were mostly inanimate or virtual reality simulation models. An increasing number of studies have gathered validity evidence for simulation-based assessments in surgical specialties, but the use of outdated frameworks remains common. To address the current practice, this paper presents guidelines on how to use the contemporary validity framework when designing validity studies.

Probing adsorption sites of carbon dioxide in metal organic framework of [Zn(bdc)(dpds)]n: A molecular simulation study

NASA Astrophysics Data System (ADS)

Lu, Shih-I.; Liao, Jian-Min; Huang, Xiao-Zhuang; Lin, Chia-Hsun; Ke, Szu-Yu; Wang, Chih-Chieh

2017-11-01

We used force-field based grand-canonical Monte Carlo simulation method and density functional theory to study adsorption characteristics of carbon dioxide (CO2) molecules in a metal-organic framework (MOF) compound, [Zn(bdc)(dpds)]n. The studied MOF include a metal ion (Zn(II)), an anion organic linker (dianion of benzene dicarboxylicacid, bdc2-) and a neutral organic linker (4,4‧-dipyridyldisulfide, dpds). Results from calculated adsorption isotherms and enthalpies of adsorption agree with the experimental data. The interactions between the adsorbed CO2 and the organic linkers were examined in simulations. Calculated results show available absorption sites are surrounded by two dpds ligands in which an S-S bond as an N-N‧ spacer connect two pyridines. In contrast, the bdc2- ligand does not give a significant contribution to the substantial adsorption amount even though it contains the carboxylate group that provides available bonding site to CO2.

A Component-Based FPGA Design Framework for Neuronal Ion Channel Dynamics Simulations

PubMed Central

Mak, Terrence S. T.; Rachmuth, Guy; Lam, Kai-Pui; Poon, Chi-Sang

2008-01-01

Neuron-machine interfaces such as dynamic clamp and brain-implantable neuroprosthetic devices require real-time simulations of neuronal ion channel dynamics. Field Programmable Gate Array (FPGA) has emerged as a high-speed digital platform ideal for such application-specific computations. We propose an efficient and flexible component-based FPGA design framework for neuronal ion channel dynamics simulations, which overcomes certain limitations of the recently proposed memory-based approach. A parallel processing strategy is used to minimize computational delay, and a hardware-efficient factoring approach for calculating exponential and division functions in neuronal ion channel models is used to conserve resource consumption. Performances of the various FPGA design approaches are compared theoretically and experimentally in corresponding implementations of the AMPA and NMDA synaptic ion channel models. Our results suggest that the component-based design framework provides a more memory economic solution as well as more efficient logic utilization for large word lengths, whereas the memory-based approach may be suitable for time-critical applications where a higher throughput rate is desired. PMID:17190033

Farm-specific economic value of automatic lameness detection systems in dairy cattle: From concepts to operational simulations.

PubMed

Van De Gucht, Tim; Saeys, Wouter; Van Meensel, Jef; Van Nuffel, Annelies; Vangeyte, Jurgen; Lauwers, Ludwig

2018-01-01

Although prototypes of automatic lameness detection systems for dairy cattle exist, information about their economic value is lacking. In this paper, a conceptual and operational framework for simulating the farm-specific economic value of automatic lameness detection systems was developed and tested on 4 system types: walkover pressure plates, walkover pressure mats, camera systems, and accelerometers. The conceptual framework maps essential factors that determine economic value (e.g., lameness prevalence, incidence and duration, lameness costs, detection performance, and their relationships). The operational simulation model links treatment costs and avoided losses with detection results and farm-specific information, such as herd size and lameness status. Results show that detection performance, herd size, discount rate, and system lifespan have a large influence on economic value. In addition, lameness prevalence influences the economic value, stressing the importance of an adequate prior estimation of the on-farm prevalence. The simulations provide first estimates for the upper limits for purchase prices of automatic detection systems. The framework allowed for identification of knowledge gaps obstructing more accurate economic value estimation. These include insights in cost reductions due to early detection and treatment, and links between specific lameness causes and their related losses. Because this model provides insight in the trade-offs between automatic detection systems' performance and investment price, it is a valuable tool to guide future research and developments. Copyright © 2018 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Effect of Pore Topology and Accessibility on Gas Adsorption Capacity in Zeolitic-Imidazolate Frameworks: Bringing Molecular Simulation Close to Experiment

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

Babarao, Ravichandar; Dai, Sheng; Jiang, Deen

2011-01-01

When all cages are assumed to be accessible, popular force fields such as universal force field (UFF) and DREIDING dramatically overpredicted gas adsorption capacity in two widely studied zeolitic-imidazolate frameworks (ZIFs), ZIF-68 and -69. Instead of adjusting the force-field parameters to match the experiments, herein we show that when the pore topology and accessibility are correctly taken into account, simulations with the standard force fields agree very well with the experiments. Careful inspection shows that ZIF-68 and -69 have two one-dimensional channels, which are not interaccessible to gases. The small channel consists of alternating small (HPR) and medium (GME) cages,more » while the large channel comprises the large (KNO) cages. Our analysis indicates that the small channel is not accessible to gases such as CO{sub 2}. So when the cages in the small channel are intentionally blocked in our simulation, the predicted adsorption capacities of CO{sub 2}, CH{sub 4} and N{sub 2} at room temperature from standard force-field parameters for the framework show excellent agreement with the experimental results. In the case of H{sub 2}, all cages are accessible, so simulation results without cage-blocking show excellent agreement with experiment. Due to the promising potential of ZIFs in gas storage and separation, our work here shows that pore topology and accessibility should be carefully examined to understand how gases adsorb in ZIFs.« less

BIOMECHANICAL ANALYSIS OF THE STRESSES GENERATED BY DIFFERENT DISOCCLUSION PATTERNS IN AN IMPLANT-SUPPORTED MANDIBULAR COMPLETE DENTURE

PubMed Central

Greco, Gustavo Diniz; Jansen, Wellington Corrêa; Landre, Janis; Seraidarian, Paulo Isaías

2009-01-01

Objectives: This study evaluated by three-dimensional finite element analysis the tensions generated by different disocclusion patterns (canine guide and bilateral balanced occlusion) in an implant-supported mandibular complete denture. Material and Methods: A three-dimensional model of implant-supported mandibular complete denture was fabricated according to the Brånemark protocol. A 5-element 3.75 x 13-mm screw-shape dental implant system was modeled for this study. The implants were located in the intermental foramen region with 3-mm-high prosthetic components joined by a nickel-chromium framework with 12-mm bilateral cantilever covered by acrylic resin and 12 acrylic denture teeth. SolidWorks® software was used before and after processing the simulations. The mechanical properties of the components were inserted in the model and a 15 N load was established in fixed points, in each one of the simulations. Data were collected in the entire nickel-chromium framework. The results were displayed three-dimensionally as color graphic scales. Results: The canine guide generated greater tensions in the region of the first implant, while the bilateral balanced occlusion generated great tensions in the entire metallic framework. The maximum tension found in the simulation of the bilateral balanced occlusion was 3.22 fold higher than the one found in the simulation of the disocclusion in canine guide. Conclusion: The pattern of disocclusion in canine guide is the ideal for implant-supported mandibular complete denture. PMID:19936535

A Generalized Framework for Different Drought Indices: Testing its Suitability in a Simulation of the last two Millennia for Europe

NASA Astrophysics Data System (ADS)

Raible, Christoph C.; Baerenbold, Oliver; Gomez-Navarro, Juan Jose

2016-04-01

Over the past decades, different drought indices have been suggested in the literature. This study tackles the problem of how to characterize drought by defining a general framework and proposing a generalized family of drought indices that is flexible regarding the use of different water balance models. The sensitivity of various indices and its skill to represent drought conditions is evaluated using a regional model simulation in Europe spanning the last two millennia as test bed. The framework combines an exponentially damped memory with a normalization method based on quantile mapping. Both approaches are more robust and physically meaningful compared to the existing methods used to define drought indices. Still, framework is flexible with respect to the water balance, enabling users to adapt the index formulation to the data availability of different locations. Based on the framework, indices with different complex water balances are compared with each other. The comparison shows that a drought index considering only precipitation in the water balance is sufficient for Western to Central Europe. However, in the Mediterranean temperature effects via evapotranspiration need to be considered in order to produce meaningful indices representative of actual water deficit. Similarly, our results indicate that in north-eastern Europe and Scandinavia, snow and runoff effects needs to be considered in the index definition to obtain accurate results.

Observing System Simulation Experiments: An Overview

NASA Technical Reports Server (NTRS)

Prive, Nikki C.; Errico, Ronald M.

2016-01-01

An overview of Observing System Simulation Experiments (OSSEs) will be given, with focus on calibration and validation of OSSE frameworks. Pitfalls and practice will be discussed, including observation error characteristics, incestuousness, and experimental design. The potential use of OSSEs for investigation of the behaviour of data assimilation systems will be explored, including some results from experiments using the NASAGMAO OSSE.

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

Rizzi, Silvio; Hereld, Mark; Insley, Joseph

In this work we perform in-situ visualization of molecular dynamics simulations, which can help scientists to visualize simulation output on-the-fly, without incurring storage overheads. We present a case study to couple LAMMPS, the large-scale molecular dynamics simulation code with vl3, our parallel framework for large-scale visualization and analysis. Our motivation is to identify effective approaches for covisualization and exploration of large-scale atomistic simulations at interactive frame rates.We propose a system of coupled libraries and describe its architecture, with an implementation that runs on GPU-based clusters. We present the results of strong and weak scalability experiments, as well as future researchmore » avenues based on our results.« less

The LatHyS database for planetary plasma environment investigations: Overview and a case study of data/model comparisons

NASA Astrophysics Data System (ADS)

Modolo, R.; Hess, S.; Génot, V.; Leclercq, L.; Leblanc, F.; Chaufray, J.-Y.; Weill, P.; Gangloff, M.; Fedorov, A.; Budnik, E.; Bouchemit, M.; Steckiewicz, M.; André, N.; Beigbeder, L.; Popescu, D.; Toniutti, J.-P.; Al-Ubaidi, T.; Khodachenko, M.; Brain, D.; Curry, S.; Jakosky, B.; Holmström, M.

2018-01-01

We present the Latmos Hybrid Simulation (LatHyS) database, which is dedicated to the investigations of planetary plasma environment. Simulation results of several planetary objects (Mars, Mercury, Ganymede) are available in an online catalogue. The full description of the simulations and their results is compliant with a data model developped in the framework of the FP7 IMPEx project. The catalogue is interfaced with VO-visualization tools such AMDA, 3DView, TOPCAT, CLweb or the IMPEx portal. Web services ensure the possibilities of accessing and extracting simulated quantities/data. We illustrate the interoperability between the simulation database and VO-tools using a detailed science case that focuses on a three-dimensional representation of the solar wind interaction with the Martian upper atmosphere, combining MAVEN and Mars Express observations and simulation results.

Combining Monte Carlo methods with coherent wave optics for the simulation of phase-sensitive X-ray imaging

PubMed Central

Peter, Silvia; Modregger, Peter; Fix, Michael K.; Volken, Werner; Frei, Daniel; Manser, Peter; Stampanoni, Marco

2014-01-01

Phase-sensitive X-ray imaging shows a high sensitivity towards electron density variations, making it well suited for imaging of soft tissue matter. However, there are still open questions about the details of the image formation process. Here, a framework for numerical simulations of phase-sensitive X-ray imaging is presented, which takes both particle- and wave-like properties of X-rays into consideration. A split approach is presented where we combine a Monte Carlo method (MC) based sample part with a wave optics simulation based propagation part, leading to a framework that takes both particle- and wave-like properties into account. The framework can be adapted to different phase-sensitive imaging methods and has been validated through comparisons with experiments for grating interferometry and propagation-based imaging. The validation of the framework shows that the combination of wave optics and MC has been successfully implemented and yields good agreement between measurements and simulations. This demonstrates that the physical processes relevant for developing a deeper understanding of scattering in the context of phase-sensitive imaging are modelled in a sufficiently accurate manner. The framework can be used for the simulation of phase-sensitive X-ray imaging, for instance for the simulation of grating interferometry or propagation-based imaging. PMID:24763652

Artificial intelligence framework for simulating clinical decision-making: a Markov decision process approach.

PubMed

Bennett, Casey C; Hauser, Kris

2013-01-01

In the modern healthcare system, rapidly expanding costs/complexity, the growing myriad of treatment options, and exploding information streams that often do not effectively reach the front lines hinder the ability to choose optimal treatment decisions over time. The goal in this paper is to develop a general purpose (non-disease-specific) computational/artificial intelligence (AI) framework to address these challenges. This framework serves two potential functions: (1) a simulation environment for exploring various healthcare policies, payment methodologies, etc., and (2) the basis for clinical artificial intelligence - an AI that can "think like a doctor". This approach combines Markov decision processes and dynamic decision networks to learn from clinical data and develop complex plans via simulation of alternative sequential decision paths while capturing the sometimes conflicting, sometimes synergistic interactions of various components in the healthcare system. It can operate in partially observable environments (in the case of missing observations or data) by maintaining belief states about patient health status and functions as an online agent that plans and re-plans as actions are performed and new observations are obtained. This framework was evaluated using real patient data from an electronic health record. The results demonstrate the feasibility of this approach; such an AI framework easily outperforms the current treatment-as-usual (TAU) case-rate/fee-for-service models of healthcare. The cost per unit of outcome change (CPUC) was $189 vs. $497 for AI vs. TAU (where lower is considered optimal) - while at the same time the AI approach could obtain a 30-35% increase in patient outcomes. Tweaking certain AI model parameters could further enhance this advantage, obtaining approximately 50% more improvement (outcome change) for roughly half the costs. Given careful design and problem formulation, an AI simulation framework can approximate optimal decisions even in complex and uncertain environments. Future work is described that outlines potential lines of research and integration of machine learning algorithms for personalized medicine. Copyright © 2012 Elsevier B.V. All rights reserved.

The SCEC Unified Community Velocity Model (UCVM) Software Framework for Distributing and Querying Seismic Velocity Models

NASA Astrophysics Data System (ADS)

Maechling, P. J.; Taborda, R.; Callaghan, S.; Shaw, J. H.; Plesch, A.; Olsen, K. B.; Jordan, T. H.; Goulet, C. A.

2017-12-01

Crustal seismic velocity models and datasets play a key role in regional three-dimensional numerical earthquake ground-motion simulation, full waveform tomography, modern physics-based probabilistic earthquake hazard analysis, as well as in other related fields including geophysics, seismology, and earthquake engineering. The standard material properties provided by a seismic velocity model are P- and S-wave velocities and density for any arbitrary point within the geographic volume for which the model is defined. Many seismic velocity models and datasets are constructed by synthesizing information from multiple sources and the resulting models are delivered to users in multiple file formats, such as text files, binary files, HDF-5 files, structured and unstructured grids, and through computer applications that allow for interactive querying of material properties. The Southern California Earthquake Center (SCEC) has developed the Unified Community Velocity Model (UCVM) software framework to facilitate the registration and distribution of existing and future seismic velocity models to the SCEC community. The UCVM software framework is designed to provide a standard query interface to multiple, alternative velocity models, even if the underlying velocity models are defined in different formats or use different geographic projections. The UCVM framework provides a comprehensive set of open-source tools for querying seismic velocity model properties, combining regional 3D models and 1D background models, visualizing 3D models, and generating computational models in the form of regular grids or unstructured meshes that can be used as inputs for ground-motion simulations. The UCVM framework helps researchers compare seismic velocity models and build equivalent simulation meshes from alternative velocity models. These capabilities enable researchers to evaluate the impact of alternative velocity models in ground-motion simulations and seismic hazard analysis applications. In this poster, we summarize the key components of the UCVM framework and describe the impact it has had in various computational geoscientific applications.

Design and performance frameworks for constructing problem-solving simulations.

PubMed

Stevens, Ron; Palacio-Cayetano, Joycelin

2003-01-01

Rapid advancements in hardware, software, and connectivity are helping to shorten the times needed to develop computer simulations for science education. These advancements, however, have not been accompanied by corresponding theories of how best to design and use these technologies for teaching, learning, and testing. Such design frameworks ideally would be guided less by the strengths/limitations of the presentation media and more by cognitive analyses detailing the goals of the tasks, the needs and abilities of students, and the resulting decision outcomes needed by different audiences. This article describes a problem-solving environment and associated theoretical framework for investigating how students select and use strategies as they solve complex science problems. A framework is first described for designing on-line problem spaces that highlights issues of content, scale, cognitive complexity, and constraints. While this framework was originally designed for medical education, it has proven robust and has been successfully applied to learning environments from elementary school through medical school. Next, a similar framework is detailed for collecting student performance and progress data that can provide evidence of students' strategic thinking and that could potentially be used to accelerate student progress. Finally, experimental validation data are presented that link strategy selection and use with other metrics of scientific reasoning and student achievement.

Design and Performance Frameworks for Constructing Problem-Solving Simulations

PubMed Central

Stevens, Ron; Palacio-Cayetano, Joycelin

2003-01-01

Rapid advancements in hardware, software, and connectivity are helping to shorten the times needed to develop computer simulations for science education. These advancements, however, have not been accompanied by corresponding theories of how best to design and use these technologies for teaching, learning, and testing. Such design frameworks ideally would be guided less by the strengths/limitations of the presentation media and more by cognitive analyses detailing the goals of the tasks, the needs and abilities of students, and the resulting decision outcomes needed by different audiences. This article describes a problem-solving environment and associated theoretical framework for investigating how students select and use strategies as they solve complex science problems. A framework is first described for designing on-line problem spaces that highlights issues of content, scale, cognitive complexity, and constraints. While this framework was originally designed for medical education, it has proven robust and has been successfully applied to learning environments from elementary school through medical school. Next, a similar framework is detailed for collecting student performance and progress data that can provide evidence of students' strategic thinking and that could potentially be used to accelerate student progress. Finally, experimental validation data are presented that link strategy selection and use with other metrics of scientific reasoning and student achievement. PMID:14506505

Estimating the impact of enterprise resource planning project management decisions on post-implementation maintenance costs: a case study using simulation modelling

NASA Astrophysics Data System (ADS)

Fryling, Meg

2010-11-01

Organisations often make implementation decisions with little consideration for the maintenance phase of an enterprise resource planning (ERP) system, resulting in significant recurring maintenance costs. Poor cost estimations are likely related to the lack of an appropriate framework for enterprise-wide pre-packaged software maintenance, which requires an ongoing relationship with the software vendor (Markus, M.L., Tanis, C., and Fenema, P.C., 2000. Multisite ERP implementation. CACM, 43 (4), 42-46). The end result is that critical project decisions are made with little empirical data, resulting in substantial long-term cost impacts. The product of this research is a formal dynamic simulation model that enables theory testing, scenario exploration and policy analysis. The simulation model ERPMAINT1 was developed by combining and extending existing frameworks in several research domains, and by incorporating quantitative and qualitative case study data. The ERPMAINT1 model evaluates tradeoffs between different ERP project management decisions and their impact on post-implementation total cost of ownership (TCO). Through model simulations a variety of dynamic insights were revealed that could assist ERP project managers. Major findings from the simulation show that upfront investments in mentoring and system exposure translate to long-term cost savings. The findings also indicate that in addition to customisations, add-ons have a significant impact on TCO.

Synthetic depth data creation for sensor setup planning and evaluation of multi-camera multi-person trackers

NASA Astrophysics Data System (ADS)

Pattke, Marco; Martin, Manuel; Voit, Michael

2017-05-01

Tracking people with cameras in public areas is common today. However with an increasing number of cameras it becomes harder and harder to view the data manually. Especially in safety critical areas automatic image exploitation could help to solve this problem. Setting up such a system can however be difficult because of its increased complexity. Sensor placement is critical to ensure that people are detected and tracked reliably. We try to solve this problem using a simulation framework that is able to simulate different camera setups in the desired environment including animated characters. We combine this framework with our self developed distributed and scalable system for people tracking to test its effectiveness and can show the results of the tracking system in real time in the simulated environment.

High-fidelity simulations of unsteady civil aircraft aerodynamics: stakes and perspectives. Application of zonal detached eddy simulation

PubMed Central

Deck, Sébastien; Gand, Fabien; Brunet, Vincent; Ben Khelil, Saloua

2014-01-01

This paper provides an up-to-date survey of the use of zonal detached eddy simulations (ZDES) for unsteady civil aircraft applications as a reflection on the stakes and perspectives of the use of hybrid methods in the framework of industrial aerodynamics. The issue of zonal or non-zonal treatment of turbulent flows for engineering applications is discussed. The ZDES method used in this article and based on a fluid problem-dependent zonalization is briefly presented. Some recent landmark achievements for conditions all over the flight envelope are presented, including low-speed (aeroacoustics of high-lift devices and landing gear), cruising (engine–airframe interactions), propulsive jets and off-design (transonic buffet and dive manoeuvres) applications. The implications of such results and remaining challenges in a more global framework are further discussed. PMID:25024411

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.

PubMed

Martínez, Enrique; Cawkwell, Marc J; Voter, Arthur F; Niklasson, Anders M N

2015-04-21

Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached at each time step. The thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.

A multiple perspective modeling and simulation approach for renewable energy policy evaluation

NASA Astrophysics Data System (ADS)

Alyamani, Talal M.

Environmental issues and reliance on fossil fuel sources, including coal, oil, and natural gas, are the two most common energy issues that are currently faced by the United States (U.S.). Incorporation of renewable energy sources, a non-economical option in electricity generation compared to conventional sources that burn fossil fuels, single handedly promises a viable solution for both of these issues. Several energy policies have concordantly been suggested to reduce the financial burden of adopting renewable energy technologies and make such technologies competitive with conventional sources throughout the U.S. This study presents a modeling and analysis approach for comprehensive evaluation of renewable energy policies with respect to their benefits to various related stakeholders--customers, utilities, governmental and environmental agencies--where the debilitating impacts, advantages, and disadvantages of such policies can be assessed and quantified at the state level. In this work, a novel simulation framework is presented to help policymakers promptly assess and evaluate policies from different perspectives of its stakeholders. The proposed framework is composed of four modules: 1) a database that collates the economic, operational, and environmental data; 2) elucidation of policy, which devises the policy for the simulation model; 3) a preliminary analysis, which makes predictions for consumption, supply, and prices; and 4) a simulation model. After the validity of the proposed framework is demonstrated, a series of planned Florida and Texas renewable energy policies are implemented into the presented framework as case studies. Two solar and one energy efficiency programs are selected as part of the Florida case study. A utility rebate and federal tax credit programs are selected as part of the Texas case study. The results obtained from the simulation and conclusions drawn on the assessment of current energy policies are presented with respect to the conflicting objectives of different stakeholders.

Characterizing ponds in watershed simulations and evaluating their influence on streamflowin a Mississippi Watershed

USDA-ARS?s Scientific Manuscript database

Small water bodies are common landscape features, but often are not simulated within a watershed modeling framework. The wetland modeling tool, AgWET, uses a GIS framework to characterize the features of ponds and wetlands so that they can be incorporated into watershed simulations using the Annuali...

An integrated assessment modeling framework for uncertainty studies in global and regional climate change: the MIT IGSM-CAM (version 1.0)

NASA Astrophysics Data System (ADS)

Monier, E.; Scott, J. R.; Sokolov, A. P.; Forest, C. E.; Schlosser, C. A.

2013-12-01

This paper describes a computationally efficient framework for uncertainty studies in global and regional climate change. In this framework, the Massachusetts Institute of Technology (MIT) Integrated Global System Model (IGSM), an integrated assessment model that couples an Earth system model of intermediate complexity to a human activity model, is linked to the National Center for Atmospheric Research (NCAR) Community Atmosphere Model (CAM). Since the MIT IGSM-CAM framework (version 1.0) incorporates a human activity model, it is possible to analyze uncertainties in emissions resulting from both uncertainties in the underlying socio-economic characteristics of the economic model and in the choice of climate-related policies. Another major feature is the flexibility to vary key climate parameters controlling the climate system response to changes in greenhouse gases and aerosols concentrations, e.g., climate sensitivity, ocean heat uptake rate, and strength of the aerosol forcing. The IGSM-CAM is not only able to realistically simulate the present-day mean climate and the observed trends at the global and continental scale, but it also simulates ENSO variability with realistic time scales, seasonality and patterns of SST anomalies, albeit with stronger magnitudes than observed. The IGSM-CAM shares the same general strengths and limitations as the Coupled Model Intercomparison Project Phase 3 (CMIP3) models in simulating present-day annual mean surface temperature and precipitation. Over land, the IGSM-CAM shows similar biases to the NCAR Community Climate System Model (CCSM) version 3, which shares the same atmospheric model. This study also presents 21st century simulations based on two emissions scenarios (unconstrained scenario and stabilization scenario at 660 ppm CO2-equivalent) similar to, respectively, the Representative Concentration Pathways RCP8.5 and RCP4.5 scenarios, and three sets of climate parameters. Results of the simulations with the chosen climate parameters provide a good approximation for the median, and the 5th and 95th percentiles of the probability distribution of 21st century changes in global mean surface air temperature from previous work with the IGSM. Because the IGSM-CAM framework only considers one particular climate model, it cannot be used to assess the structural modeling uncertainty arising from differences in the parameterization suites of climate models. However, comparison of the IGSM-CAM projections with simulations of 31 CMIP5 models under the RCP4.5 and RCP8.5 scenarios show that the range of warming at the continental scale shows very good agreement between the two ensemble simulations, except over Antarctica, where the IGSM-CAM overestimates the warming. This demonstrates that by sampling the climate system response, the IGSM-CAM, even though it relies on one single climate model, can essentially reproduce the range of future continental warming simulated by more than 30 different models. Precipitation changes projected in the IGSM-CAM simulations and the CMIP5 multi-model ensemble both display a large uncertainty at the continental scale. The two ensemble simulations show good agreement over Asia and Europe. However, the ranges of precipitation changes do not overlap - but display similar size - over Africa and South America, two continents where models generally show little agreement in the sign of precipitation changes and where CCSM3 tends to be an outlier. Overall, the IGSM-CAM provides an efficient and consistent framework to explore the large uncertainty in future projections of global and regional climate change associated with uncertainty in the climate response and projected emissions.

An innovative strategy in evaluation: using a student engagement framework to evaluate a role-based simulation.

PubMed

Smith, Morgan; Warland, Jane; Smith, Colleen

2012-03-01

Online role-play has the potential to actively engage students in authentic learning experiences and help develop their clinical reasoning skills. However, evaluation of student learning for this kind of simulation focuses mainly on the content and outcome of learning, rather than on the process of learning through student engagement. This article reports on the use of a student engagement framework to evaluate an online role-play offered as part of a course in Bachelor of Nursing and Bachelor of Midwifery programs. Instruments that measure student engagement to date have targeted large numbers of students at program and institutional levels, rather than at the level of a specific learning activity. Although the framework produced some useful findings for evaluation purposes, further refinement of the questions is required to be certain that deep learning results from the engagement that occurs with course-level learning initiatives. Copyright 2012, SLACK Incorporated.

Validation of High-Fidelity CFD/CAA Framework for Launch Vehicle Acoustic Environment Simulation against Scale Model Test Data

NASA Technical Reports Server (NTRS)

Liever, Peter A.; West, Jeffrey S.

2016-01-01

A hybrid Computational Fluid Dynamics and Computational Aero-Acoustics (CFD/CAA) modeling framework has been developed for launch vehicle liftoff acoustic environment predictions. The framework couples the existing highly-scalable NASA production CFD code, Loci/CHEM, with a high-order accurate discontinuous Galerkin solver developed in the same production framework, Loci/THRUST, to accurately resolve and propagate acoustic physics across the entire launch environment. Time-accurate, Hybrid RANS/LES CFD modeling is applied for predicting the acoustic generation physics at the plume source, and a high-order accurate unstructured discontinuous Galerkin (DG) method is employed to propagate acoustic waves away from the source across large distances using high-order accurate schemes. The DG solver is capable of solving 2nd, 3rd, and 4th order Euler solutions for non-linear, conservative acoustic field propagation. Initial application testing and validation has been carried out against high resolution acoustic data from the Ares Scale Model Acoustic Test (ASMAT) series to evaluate the capabilities and production readiness of the CFD/CAA system to resolve the observed spectrum of acoustic frequency content. This paper presents results from this validation and outlines efforts to mature and improve the computational simulation framework.

Validating clustering of molecular dynamics simulations using polymer models

PubMed Central

2011-01-01

Background Molecular dynamics (MD) simulation is a powerful technique for sampling the meta-stable and transitional conformations of proteins and other biomolecules. Computational data clustering has emerged as a useful, automated technique for extracting conformational states from MD simulation data. Despite extensive application, relatively little work has been done to determine if the clustering algorithms are actually extracting useful information. A primary goal of this paper therefore is to provide such an understanding through a detailed analysis of data clustering applied to a series of increasingly complex biopolymer models. Results We develop a novel series of models using basic polymer theory that have intuitive, clearly-defined dynamics and exhibit the essential properties that we are seeking to identify in MD simulations of real biomolecules. We then apply spectral clustering, an algorithm particularly well-suited for clustering polymer structures, to our models and MD simulations of several intrinsically disordered proteins. Clustering results for the polymer models provide clear evidence that the meta-stable and transitional conformations are detected by the algorithm. The results for the polymer models also help guide the analysis of the disordered protein simulations by comparing and contrasting the statistical properties of the extracted clusters. Conclusions We have developed a framework for validating the performance and utility of clustering algorithms for studying molecular biopolymer simulations that utilizes several analytic and dynamic polymer models which exhibit well-behaved dynamics including: meta-stable states, transition states, helical structures, and stochastic dynamics. We show that spectral clustering is robust to anomalies introduced by structural alignment and that different structural classes of intrinsically disordered proteins can be reliably discriminated from the clustering results. To our knowledge, our framework is the first to utilize model polymers to rigorously test the utility of clustering algorithms for studying biopolymers. PMID:22082218

Interactive, Secure Web-enabled Aircraft Engine Simulation Using XML Databinding Integration

NASA Technical Reports Server (NTRS)

Lin, Risheng; Afjeh, Abdollah A.

2003-01-01

This paper discusses the detailed design of an XML databinding framework for aircraft engine simulation. The framework provides an object interface to access and use engine data. while at the same time preserving the meaning of the original data. The Language independent representation of engine component data enables users to move around XML data using HTTP through disparate networks. The application of this framework is demonstrated via a web-based turbofan propulsion system simulation using the World Wide Web (WWW). A Java Servlet based web component architecture is used for rendering XML engine data into HTML format and dealing with input events from the user, which allows users to interact with simulation data from a web browser. The simulation data can also be saved to a local disk for archiving or to restart the simulation at a later time.

SCALING AN URBAN EMERGENCY EVACUATION FRAMEWORK: CHALLENGES AND PRACTICES

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

Karthik, Rajasekar; Lu, Wei

2014-01-01

Critical infrastructure disruption, caused by severe weather events, natural disasters, terrorist attacks, etc., has significant impacts on urban transportation systems. We built a computational framework to simulate urban transportation systems under critical infrastructure disruption in order to aid real-time emergency evacuation. This framework will use large scale datasets to provide a scalable tool for emergency planning and management. Our framework, World-Wide Emergency Evacuation (WWEE), integrates population distribution and urban infrastructure networks to model travel demand in emergency situations at global level. Also, a computational model of agent-based traffic simulation is used to provide an optimal evacuation plan for traffic operationmore » purpose [1]. In addition, our framework provides a web-based high resolution visualization tool for emergency evacuation modelers and practitioners. We have successfully tested our framework with scenarios in both United States (Alexandria, VA) and Europe (Berlin, Germany) [2]. However, there are still some major drawbacks for scaling this framework to handle big data workloads in real time. On our back-end, lack of proper infrastructure limits us in ability to process large amounts of data, run the simulation efficiently and quickly, and provide fast retrieval and serving of data. On the front-end, the visualization performance of microscopic evacuation results is still not efficient enough due to high volume data communication between server and client. We are addressing these drawbacks by using cloud computing and next-generation web technologies, namely Node.js, NoSQL, WebGL, Open Layers 3 and HTML5 technologies. We will describe briefly about each one and how we are using and leveraging these technologies to provide an efficient tool for emergency management organizations. Our early experimentation demonstrates that using above technologies is a promising approach to build a scalable and high performance urban emergency evacuation framework that can improve traffic mobility and safety under critical infrastructure disruption in today s socially connected world.« less

A multi-fidelity framework for physics based rotor blade simulation and optimization

NASA Astrophysics Data System (ADS)

Collins, Kyle Brian

New helicopter rotor designs are desired that offer increased efficiency, reduced vibration, and reduced noise. Rotor Designers in industry need methods that allow them to use the most accurate simulation tools available to search for these optimal designs. Computer based rotor analysis and optimization have been advanced by the development of industry standard codes known as "comprehensive" rotorcraft analysis tools. These tools typically use table look-up aerodynamics, simplified inflow models and perform aeroelastic analysis using Computational Structural Dynamics (CSD). Due to the simplified aerodynamics, most design studies are performed varying structural related design variables like sectional mass and stiffness. The optimization of shape related variables in forward flight using these tools is complicated and results are viewed with skepticism because rotor blade loads are not accurately predicted. The most accurate methods of rotor simulation utilize Computational Fluid Dynamics (CFD) but have historically been considered too computationally intensive to be used in computer based optimization, where numerous simulations are required. An approach is needed where high fidelity CFD rotor analysis can be utilized in a shape variable optimization problem with multiple objectives. Any approach should be capable of working in forward flight in addition to hover. An alternative is proposed and founded on the idea that efficient hybrid CFD methods of rotor analysis are ready to be used in preliminary design. In addition, the proposed approach recognizes the usefulness of lower fidelity physics based analysis and surrogate modeling. Together, they are used with high fidelity analysis in an intelligent process of surrogate model building of parameters in the high fidelity domain. Closing the loop between high and low fidelity analysis is a key aspect of the proposed approach. This is done by using information from higher fidelity analysis to improve predictions made with lower fidelity models. This thesis documents the development of automated low and high fidelity physics based rotor simulation frameworks. The low fidelity framework uses a comprehensive code with simplified aerodynamics. The high fidelity model uses a parallel processor capable CFD/CSD methodology. Both low and high fidelity frameworks include an aeroacoustic simulation for prediction of noise. A synergistic process is developed that uses both the low and high fidelity frameworks together to build approximate models of important high fidelity metrics as functions of certain design variables. To test the process, a 4-bladed hingeless rotor model is used as a baseline. The design variables investigated include tip geometry and spanwise twist distribution. Approximation models are built for metrics related to rotor efficiency and vibration using the results from 60+ high fidelity (CFD/CSD) experiments and 400+ low fidelity experiments. Optimization using the approximation models found the Pareto Frontier anchor points, or the design having maximum rotor efficiency and the design having minimum vibration. Various Pareto generation methods are used to find designs on the frontier between these two anchor designs. When tested in the high fidelity framework, the Pareto anchor designs are shown to be very good designs when compared with other designs from the high fidelity database. This provides evidence that the process proposed has merit. Ultimately, this process can be utilized by industry rotor designers with their existing tools to bring high fidelity analysis into the preliminary design stage of rotors. In conclusion, the methods developed and documented in this thesis have made several novel contributions. First, an automated high fidelity CFD based forward flight simulation framework has been built for use in preliminary design optimization. The framework was built around an integrated, parallel processor capable CFD/CSD/AA process. Second, a novel method of building approximate models of high fidelity parameters has been developed. The method uses a combination of low and high fidelity results and combines Design of Experiments, statistical effects analysis, and aspects of approximation model management. And third, the determination of rotor blade shape variables through optimization using CFD based analysis in forward flight has been performed. This was done using the high fidelity CFD/CSD/AA framework and method mentioned above. While the low and high fidelity predictions methods used in the work still have inaccuracies that can affect the absolute levels of the results, a framework has been successfully developed and demonstrated that allows for an efficient process to improve rotor blade designs in terms of a selected choice of objective function(s). Using engineering judgment, this methodology could be applied today to investigate opportunities to improve existing designs. With improvements in the low and high fidelity prediction components that will certainly occur, this framework could become a powerful tool for future rotorcraft design work. (Abstract shortened by UMI.)

WavePropaGator: interactive framework for X-ray free-electron laser optics design and simulations.

PubMed

Samoylova, Liubov; Buzmakov, Alexey; Chubar, Oleg; Sinn, Harald

2016-08-01

This article describes the WavePropaGator ( WPG ) package, a new interactive software framework for coherent and partially coherent X-ray wavefront propagation simulations. The package has been developed at European XFEL for users at the existing and emerging free-electron laser (FEL) facilities, as well as at the third-generation synchrotron sources and future diffraction-limited storage rings. The WPG addresses the needs of beamline scientists and user groups to facilitate the design, optimization and improvement of X-ray optics to meet their experimental requirements. The package uses the Synchrotron Radiation Workshop ( SRW ) C/C++ library and its Python binding for numerical wavefront propagation simulations. The framework runs reliably under Linux, Microsoft Windows 7 and Apple Mac OS X and is distributed under an open-source license. The available tools allow for varying source parameters and optics layouts and visualizing the results interactively. The wavefront history structure can be used for tracking changes in every particular wavefront during propagation. The batch propagation mode enables processing of multiple wavefronts in workflow mode. The paper presents a general description of the package and gives some recent application examples, including modeling of full X-ray FEL beamlines and start-to-end simulation of experiments.

Role-playing simulation as an educational tool for health care personnel: developing an embedded assessment framework.

PubMed

Libin, Alexander; Lauderdale, Manon; Millo, Yuri; Shamloo, Christine; Spencer, Rachel; Green, Brad; Donnellan, Joyce; Wellesley, Christine; Groah, Suzanne

2010-04-01

Simulation- and video game-based role-playing techniques have been proven effective in changing behavior and enhancing positive decision making in a variety of professional settings, including education, the military, and health care. Although the need for developing assessment frameworks for learning outcomes has been clearly defined, there is a significant gap between the variety of existing multimedia-based instruction and technology-mediated learning systems and the number of reliable assessment algorithms. This study, based on a mixed methodology research design, aims to develop an embedded assessment algorithm, a Knowledge Assessment Module (NOTE), to capture both user interaction with the educational tool and knowledge gained from the training. The study is regarded as the first step in developing an assessment framework for a multimedia educational tool for health care professionals, Anatomy of Care (AOC), that utilizes Virtual Experience Immersive Learning Simulation (VEILS) technology. Ninety health care personnel of various backgrounds took part in online AOC training, choosing from five possible scenarios presenting difficult situations of everyday care. The results suggest that although the simulation-based training tool demonstrated partial effectiveness in improving learners' decision-making capacity, a differential learner-oriented approach might be more effective and capable of synchronizing educational efforts with identifiable relevant individual factors such as sociobehavioral profile and professional background.

Dynamic Shade and Irradiance Simulation of Aquatic ...

EPA Pesticide Factsheets

Penumbra is a landscape shade and irradiance simulation model that simulates how solar energy spatially and temporally interacts within dynamic ecosystems such as riparian zones, forests, and other terrain that cast topological shadows. Direct and indirect solar energy accumulates across landscapes and is the main energy driver for increasing aquatic and landscape temperatures at both local and holistic scales. Landscape disturbances such as landuse change, clear cutting, and fire can cause significant variations in the resulting irradiance reaching particular locations. Penumbra can simulate solar angles and irradiance at definable temporal grains as low as one minute while simulating landscape shadowing up to an entire year. Landscapes can be represented at sub-meter resolutions with appropriate spatial data inputs, such as field data or elevation and surface object heights derived from light detection and ranging (LiDAR) data. This work describes Penumbra’s framework and methodology, external model integration capability, and appropriate model application for a variety of watershed restoration project types. First, an overview of Penumbra’s framework reveals what this model adds to the existing ecological modeling domain. Second, Penumbra’s stand-alone and integration modes are explained and demonstrated. Stand-alone modeling results are showcased within the 3-D visualization tool VISTAS (VISualizing Terrestrial-Aquatic Systems), which fluently summariz

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

PubMed Central

Carlson, Jean M.

2018-01-01

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

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

PubMed

Jones, Eric W; Carlson, Jean M

2018-02-01

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

System Simulation by Recursive Feedback: Coupling A Set of Stand-Alone Subsystem Simulations

NASA Technical Reports Server (NTRS)

Nixon, Douglas D.; Hanson, John M. (Technical Monitor)

2002-01-01

Recursive feedback is defined and discussed as a framework for development of specific algorithms and procedures that propagate the time-domain solution for a dynamical system simulation consisting of multiple numerically coupled self-contained stand-alone subsystem simulations. A satellite motion example containing three subsystems (other dynamics, attitude dynamics, and aerodynamics) has been defined and constructed using this approach. Conventional solution methods are used in the subsystem simulations. Centralized and distributed versions of coupling structure have been addressed. Numerical results are evaluated by direct comparison with a standard total-system simultaneous-solution approach.

Using the ECD Framework to Support Evidentiary Reasoning in the Context of a Simulation Study for Detecting Learner Differences in Epistemic Games

ERIC Educational Resources Information Center

Sweet, Shauna J.; Rupp, Andre A.

2012-01-01

The "evidence-centered design" (ECD) framework is a powerful tool that supports careful and critical thinking about the identification and accumulation of evidence in assessment contexts. In this paper, we demonstrate how the ECD framework provides critical support for designing simulation studies to investigate statistical methods…

Crowdsourcing: A Primer and Its implications for Systems Engineering

DTIC Science & Technology

2012-08-01

detailing areas to be improved within current crowdsourcing frameworks. Finally, an agent-based simulation using machine learning techniques is defined, preliminary results are presented, and future research directions are described.

Modeling Real-Time Coordination of Distributed Expertise and Event Response in NASA Mission Control Center Operations

NASA Astrophysics Data System (ADS)

Onken, Jeffrey

This dissertation introduces a multidisciplinary framework for the enabling of future research and analysis of alternatives for control centers for real-time operations of safety-critical systems. The multidisciplinary framework integrates functional and computational models that describe the dynamics in fundamental concepts of previously disparate engineering and psychology research disciplines, such as group performance and processes, supervisory control, situation awareness, events and delays, and expertise. The application in this dissertation is the real-time operations within the NASA Mission Control Center in Houston, TX. This dissertation operationalizes the framework into a model and simulation, which simulates the functional and computational models in the framework according to user-configured scenarios for a NASA human-spaceflight mission. The model and simulation generates data according to the effectiveness of the mission-control team in supporting the completion of mission objectives and detecting, isolating, and recovering from anomalies. Accompanying the multidisciplinary framework is a proof of concept, which demonstrates the feasibility of such a framework. The proof of concept demonstrates that variability occurs where expected based on the models. The proof of concept also demonstrates that the data generated from the model and simulation is useful for analyzing and comparing MCC configuration alternatives because an investigator can give a diverse set of scenarios to the simulation and the output compared in detail to inform decisions about the effect of MCC configurations on mission operations performance.

An ice sheet model validation framework for the Greenland ice sheet

NASA Astrophysics Data System (ADS)

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.; Howat, Ian M.; Neumann, Thomas; Saba, Jack; Tezaur, Irina; Guerber, Jeffrey; Chambers, Don P.; Evans, Katherine J.; Kennedy, Joseph H.; Lenaerts, Jan; Lipscomb, William H.; Perego, Mauro; Salinger, Andrew G.; Tuminaro, Raymond S.; van den Broeke, Michiel R.; Nowicki, Sophie M. J.

2017-01-01

We propose a new ice sheet model validation framework - the Cryospheric Model Comparison Tool (CmCt) - that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013, using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quantitative metrics for use in evaluating the different model simulations against the observations. We find that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin-scale and whole-ice-sheet-scale metrics, we find that simulations using both idealized conceptual models and dynamic, numerical models provide an equally reasonable representation of the ice sheet surface (mean elevation differences of < 1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CmCt, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate a predictive skill with respect to observed dynamic changes that have occurred on Greenland over the past few decades. An extensible design will allow for continued use of the CmCt as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation.

An ice sheet model validation framework for the Greenland ice sheet

PubMed Central

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.; Howat, Ian M.; Neumann, Thomas; Saba, Jack; Tezaur, Irina; Guerber, Jeffrey; Chambers, Don P.; Evans, Katherine J.; Kennedy, Joseph H.; Lenaerts, Jan; Lipscomb, William H.; Perego, Mauro; Salinger, Andrew G.; Tuminaro, Raymond S.; van den Broeke, Michiel R.; Nowicki, Sophie M. J.

2018-01-01

We propose a new ice sheet model validation framework – the Cryospheric Model Comparison Tool (CmCt) – that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013 using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quantitative metrics for use in evaluating the different model simulations against the observations. We find that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin- and whole-ice-sheet scale metrics, we find that simulations using both idealized conceptual models and dynamic, numerical models provide an equally reasonable representation of the ice sheet surface (mean elevation differences of <1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CmCt, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate predictive skill with respect to observed dynamic changes occurring on Greenland over the past few decades. An extensible design will allow for continued use of the CmCt as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation. PMID:29697704

An Ice Sheet Model Validation Framework for the Greenland Ice Sheet

NASA Technical Reports Server (NTRS)

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.; Howat, Ian M.; Neumann, Thomas A.; Saba, Jack; Tezaur, Irina; Guerber, Jeffrey R.; Chambers, Don P.; Evans, Katherine J.;

A Collaborative Extensible User Environment for Simulation and Knowledge Management

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

Freedman, Vicky L.; Lansing, Carina S.; Porter, Ellen A.

2015-06-01

In scientific simulation, scientists use measured data to create numerical models, execute simulations and analyze results from advanced simulators executing on high performance computing platforms. This process usually requires a team of scientists collaborating on data collection, model creation and analysis, and on authorship of publications and data. This paper shows that scientific teams can benefit from a user environment called Akuna that permits subsurface scientists in disparate locations to collaborate on numerical modeling and analysis projects. The Akuna user environment is built on the Velo framework that provides both a rich client environment for conducting and analyzing simulations andmore » a Web environment for data sharing and annotation. Akuna is an extensible toolset that integrates with Velo, and is designed to support any type of simulator. This is achieved through data-driven user interface generation, use of a customizable knowledge management platform, and an extensible framework for simulation execution, monitoring and analysis. This paper describes how the customized Velo content management system and the Akuna toolset are used to integrate and enhance an effective collaborative research and application environment. The extensible architecture of Akuna is also described and demonstrates its usage for creation and execution of a 3D subsurface simulation.« less

Comparing volume of fluid and level set methods for evaporating liquid-gas flows

NASA Astrophysics Data System (ADS)

Palmore, John; Desjardins, Olivier

2016-11-01

This presentation demonstrates three numerical strategies for simulating liquid-gas flows undergoing evaporation. The practical aim of this work is to choose a framework capable of simulating the combustion of liquid fuels in an internal combustion engine. Each framework is analyzed with respect to its accuracy and computational cost. All simulations are performed using a conservative, finite volume code for simulating reacting, multiphase flows under the low-Mach assumption. The strategies used in this study correspond to different methods for tracking the liquid-gas interface and handling the transport of the discontinuous momentum and vapor mass fractions fields. The first two strategies are based on conservative, geometric volume of fluid schemes using directionally split and un-split advection, respectively. The third strategy is the accurate conservative level set method. For all strategies, special attention is given to ensuring the consistency between the fluxes of mass, momentum, and vapor fractions. The study performs three-dimensional simulations of an isolated droplet of a single component fuel evaporating into air. Evaporation rates and vapor mass fractions are compared to analytical results.

Computational system identification of continuous-time nonlinear systems using approximate Bayesian computation

NASA Astrophysics Data System (ADS)

Krishnanathan, Kirubhakaran; Anderson, Sean R.; Billings, Stephen A.; Kadirkamanathan, Visakan

2016-11-01

In this paper, we derive a system identification framework for continuous-time nonlinear systems, for the first time using a simulation-focused computational Bayesian approach. Simulation approaches to nonlinear system identification have been shown to outperform regression methods under certain conditions, such as non-persistently exciting inputs and fast-sampling. We use the approximate Bayesian computation (ABC) algorithm to perform simulation-based inference of model parameters. The framework has the following main advantages: (1) parameter distributions are intrinsically generated, giving the user a clear description of uncertainty, (2) the simulation approach avoids the difficult problem of estimating signal derivatives as is common with other continuous-time methods, and (3) as noted above, the simulation approach improves identification under conditions of non-persistently exciting inputs and fast-sampling. Term selection is performed by judging parameter significance using parameter distributions that are intrinsically generated as part of the ABC procedure. The results from a numerical example demonstrate that the method performs well in noisy scenarios, especially in comparison to competing techniques that rely on signal derivative estimation.

Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations

NASA Astrophysics Data System (ADS)

Heidari, M.; Cortes-Huerto, R.; Donadio, D.; Potestio, R.

2016-10-01

In adaptive resolution simulations the same system is concurrently modeled with different resolution in different subdomains of the simulation box, thereby enabling an accurate description in a small but relevant region, while the rest is treated with a computationally parsimonious model. In this framework, electrostatic interaction, whose accurate treatment is a crucial aspect in the realistic modeling of soft matter and biological systems, represents a particularly acute problem due to the intrinsic long-range nature of Coulomb potential. In the present work we propose and validate the usage of a short-range modification of Coulomb potential, the Damped shifted force (DSF) model, in the context of the Hamiltonian adaptive resolution simulation (H-AdResS) scheme. This approach, which is here validated on bulk water, ensures a reliable reproduction of the structural and dynamical properties of the liquid, and enables a seamless embedding in the H-AdResS framework. The resulting dual-resolution setup is implemented in the LAMMPS simulation package, and its customized version employed in the present work is made publicly available.

Computational and experimental investigation of free vibration and flutter of bridge decks

NASA Astrophysics Data System (ADS)

Helgedagsrud, Tore A.; Bazilevs, Yuri; Mathisen, Kjell M.; Øiseth, Ole A.

2018-06-01

A modified rigid-object formulation is developed, and employed as part of the fluid-object interaction modeling framework from Akkerman et al. (J Appl Mech 79(1):010905, 2012. https://doi.org/10.1115/1.4005072) to simulate free vibration and flutter of long-span bridges subjected to strong winds. To validate the numerical methodology, companion wind tunnel experiments have been conducted. The results show that the computational framework captures very precisely the aeroelastic behavior in terms of aerodynamic stiffness, damping and flutter characteristics. Considering its relative simplicity and accuracy, we conclude from our study that the proposed free-vibration simulation technique is a valuable tool in engineering design of long-span bridges.

Application of an Integrated HPC Reliability Prediction Framework to HMMWV Suspension System

DTIC Science & Technology

2010-09-13

model number M966 (TOW Missle Carrier, Basic Armor without weapons), since they were available. Tires used for all simulations were the bias-type...vehicle fleet, including consideration of all kinds of uncertainty, especially including model uncertainty. The end result will be a tool to use...building an adequate vehicle reliability prediction framework for military vehicles is the accurate modeling of the integration of various types of

A tool for optimization of the production and user analysis on the Grid, C. Grigoras for the ALICE Collaboration

NASA Astrophysics Data System (ADS)

Grigoras, Costin; Carminati, Federico; Vladimirovna Datskova, Olga; Schreiner, Steffen; Lee, Sehoon; Zhu, Jianlin; Gheata, Mihaela; Gheata, Andrei; Saiz, Pablo; Betev, Latchezar; Furano, Fabrizio; Mendez Lorenzo, Patricia; Grigoras, Alina Gabriela; Bagnasco, Stefano; Peters, Andreas Joachim; Saiz Santos, Maria Dolores

2011-12-01

With the LHC and ALICE entering a full operation and production modes, the amount of Simulation and RAW data processing and end user analysis computational tasks are increasing. The efficient management of all these tasks, all of which have large differences in lifecycle, amounts of processed data and methods to analyze the end result, required the development and deployment of new tools in addition to the already existing Grid infrastructure. To facilitate the management of the large scale simulation and raw data reconstruction tasks, ALICE has developed a production framework called a Lightweight Production Manager (LPM). The LPM is automatically submitting jobs to the Grid based on triggers and conditions, for example after a physics run completion. It follows the evolution of the job and publishes the results on the web for worldwide access by the ALICE physicists. This framework is tightly integrated with the ALICE Grid framework AliEn. In addition to the publication of the job status, LPM is also allowing a fully authenticated interface to the AliEn Grid catalogue, to browse and download files, and in the near future will provide simple types of data analysis through ROOT plugins. The framework is also being extended to allow management of end user jobs.

A multi-model framework for simulating wildlife population response to land-use and climate change

USGS Publications Warehouse

McRae, B.H.; Schumaker, N.H.; McKane, R.B.; Busing, R.T.; Solomon, A.M.; Burdick, C.A.

2008-01-01

Reliable assessments of how human activities will affect wildlife populations are essential for making scientifically defensible resource management decisions. A principle challenge of predicting effects of proposed management, development, or conservation actions is the need to incorporate multiple biotic and abiotic factors, including land-use and climate change, that interact to affect wildlife habitat and populations through time. Here we demonstrate how models of land-use, climate change, and other dynamic factors can be integrated into a coherent framework for predicting wildlife population trends. Our framework starts with land-use and climate change models developed for a region of interest. Vegetation changes through time under alternative future scenarios are predicted using an individual-based plant community model. These predictions are combined with spatially explicit animal habitat models to map changes in the distribution and quality of wildlife habitat expected under the various scenarios. Animal population responses to habitat changes and other factors are then projected using a flexible, individual-based animal population model. As an example application, we simulated animal population trends under three future land-use scenarios and four climate change scenarios in the Cascade Range of western Oregon. We chose two birds with contrasting habitat preferences for our simulations: winter wrens (Troglodytes troglodytes), which are most abundant in mature conifer forests, and song sparrows (Melospiza melodia), which prefer more open, shrubby habitats. We used climate and land-use predictions from previously published studies, as well as previously published predictions of vegetation responses using FORCLIM, an individual-based forest dynamics simulator. Vegetation predictions were integrated with other factors in PATCH, a spatially explicit, individual-based animal population simulator. Through incorporating effects of landscape history and limited dispersal, our framework predicted population changes that typically exceeded those expected based on changes in mean habitat suitability alone. Although land-use had greater impacts on habitat quality than did climate change in our simulations, we found that small changes in vital rates resulting from climate change or other stressors can have large consequences for population trajectories. The ability to integrate bottom-up demographic processes like these with top-down constraints imposed by climate and land-use in a dynamic modeling environment is a key advantage of our approach. The resulting framework should allow researchers to synthesize existing empirical evidence, and to explore complex interactions that are difficult or impossible to capture through piecemeal modeling approaches. ?? 2008 Elsevier B.V.

Games and Simulations in Online Learning: Research and Development Frameworks

ERIC Educational Resources Information Center

Gibson, David; Aldrich, Clark; Prensky, Marc

2007-01-01

Games and Simulations in Online Learning: Research and Development Frameworks examines the potential of games and simulations in online learning, and how the future could look as developers learn to use the emerging capabilities of the Semantic Web. It presents a general understanding of how the Semantic Web will impact education and how games and…

A Generic Guidance and Control Structure for Six-Degree-of-Freedom Conceptual Aircraft Design

NASA Technical Reports Server (NTRS)

Cotting, M. Christopher; Cox, Timothy H.

2005-01-01

A control system framework is presented for both real-time and batch six-degree-of-freedom simulation. This framework allows stabilization and control with multiple command options, from body rate control to waypoint guidance. Also, pilot commands can be used to operate the simulation in a pilot-in-the-loop environment. This control system framework is created by using direct vehicle state feedback with nonlinear dynamic inversion. A direct control allocation scheme is used to command aircraft effectors. Online B-matrix estimation is used in the control allocation algorithm for maximum algorithm flexibility. Primary uses for this framework include conceptual design and early preliminary design of aircraft, where vehicle models change rapidly and a knowledge of vehicle six-degree-of-freedom performance is required. A simulated airbreathing hypersonic vehicle and a simulated high performance fighter are controlled to demonstrate the flexibility and utility of the control system.

Statistical framework for evaluation of climate model simulations by use of climate proxy data from the last millennium - Part 1: Theory

NASA Astrophysics Data System (ADS)

Sundberg, R.; Moberg, A.; Hind, A.

2012-08-01

A statistical framework for comparing the output of ensemble simulations from global climate models with networks of climate proxy and instrumental records has been developed, focusing on near-surface temperatures for the last millennium. This framework includes the formulation of a joint statistical model for proxy data, instrumental data and simulation data, which is used to optimize a quadratic distance measure for ranking climate model simulations. An essential underlying assumption is that the simulations and the proxy/instrumental series have a shared component of variability that is due to temporal changes in external forcing, such as volcanic aerosol load, solar irradiance or greenhouse gas concentrations. Two statistical tests have been formulated. Firstly, a preliminary test establishes whether a significant temporal correlation exists between instrumental/proxy and simulation data. Secondly, the distance measure is expressed in the form of a test statistic of whether a forced simulation is closer to the instrumental/proxy series than unforced simulations. The proposed framework allows any number of proxy locations to be used jointly, with different seasons, record lengths and statistical precision. The goal is to objectively rank several competing climate model simulations (e.g. with alternative model parameterizations or alternative forcing histories) by means of their goodness of fit to the unobservable true past climate variations, as estimated from noisy proxy data and instrumental observations.

A general CFD framework for fault-resilient simulations based on multi-resolution information fusion

NASA Astrophysics Data System (ADS)

Lee, Seungjoon; Kevrekidis, Ioannis G.; Karniadakis, George Em

2017-10-01

We develop a general CFD framework for multi-resolution simulations to target multiscale problems but also resilience in exascale simulations, where faulty processors may lead to gappy, in space-time, simulated fields. We combine approximation theory and domain decomposition together with statistical learning techniques, e.g. coKriging, to estimate boundary conditions and minimize communications by performing independent parallel runs. To demonstrate this new simulation approach, we consider two benchmark problems. First, we solve the heat equation (a) on a small number of spatial "patches" distributed across the domain, simulated by finite differences at fine resolution and (b) on the entire domain simulated at very low resolution, thus fusing multi-resolution models to obtain the final answer. Second, we simulate the flow in a lid-driven cavity in an analogous fashion, by fusing finite difference solutions obtained with fine and low resolution assuming gappy data sets. We investigate the influence of various parameters for this framework, including the correlation kernel, the size of a buffer employed in estimating boundary conditions, the coarseness of the resolution of auxiliary data, and the communication frequency across different patches in fusing the information at different resolution levels. In addition to its robustness and resilience, the new framework can be employed to generalize previous multiscale approaches involving heterogeneous discretizations or even fundamentally different flow descriptions, e.g. in continuum-atomistic simulations.

TU-H-CAMPUS-IeP1-05: A Framework for the Analytic Calculation of Patient-Specific Dose Distribution Due to CBCT Scan for IGRT

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

Youn, H; Jeon, H; Nam, J

Purpose: To investigate the feasibility of an analytic framework to estimate patients’ absorbed dose distribution owing to daily cone-beam CT scan for image-guided radiation treatment. Methods: To compute total absorbed dose distribution, we separated the framework into primary and scattered dose calculations. Using the source parameters such as voltage, current, and bowtie filtration, for the primary dose calculation, we simulated the forward projection from the source to each voxel of an imaging object including some inhomogeneous inserts. Then we calculated the primary absorbed dose at each voxel based on the absorption probability deduced from the HU values and Beer’s law.more » In sequence, all voxels constructing the phantom were regarded as secondary sources to radiate scattered photons for scattered dose calculation. Details of forward projection were identical to that of the previous step. The secondary source intensities were given by using scatter-to- primary ratios provided by NIST. In addition, we compared the analytically calculated dose distribution with their Monte Carlo simulation results. Results: The suggested framework for absorbed dose estimation successfully provided the primary and secondary dose distributions of the phantom. Moreover, our analytic dose calculations and Monte Carlo calculations were well agreed each other even near the inhomogeneous inserts. Conclusion: This work indicated that our framework can be an effective monitor to estimate a patient’s exposure owing to cone-beam CT scan for image-guided radiation treatment. Therefore, we expected that the patient’s over-exposure during IGRT might be prevented by our framework.« less

Development of solute transport models in YMPYRÄ framework to simulate solute migration in military shooting and training areas

NASA Astrophysics Data System (ADS)

Warsta, L.; Karvonen, T.

2017-12-01

There are currently 25 shooting and training areas in Finland managed by The Finnish Defence Forces (FDF), where military activities can cause contamination of open waters and groundwater reservoirs. In the YMPYRÄ project, a computer software framework is being developed that combines existing open environmental data and proprietary information collected by FDF with computational models to investigate current and prevent future environmental problems. A data centric philosophy is followed in the development of the system, i.e. the models are updated and extended to handle available data from different areas. The results generated by the models are summarized as easily understandable flow and risk maps that can be opened in GIS programs and used in environmental assessments by experts. Substances investigated with the system include explosives and metals such as lead, and both surface and groundwater dominated areas can be simulated. The YMPYRÄ framework is composed of a three dimensional soil and groundwater flow model, several solute transport models and an uncertainty assessment system. Solute transport models in the framework include particle based, stream tube and finite volume based approaches. The models can be used to simulate solute dissolution from source area, transport in the unsaturated layers to groundwater and finally migration in groundwater to water extraction wells and springs. The models can be used to simulate advection, dispersion, equilibrium adsorption on soil particles, solubility and dissolution from solute phase and dendritic solute decay chains. Correct numerical solutions were confirmed by comparing results to analytical 1D and 2D solutions and by comparing the numerical solutions to each other. The particle based and stream tube type solute transport models were useful as they could complement the traditional finite volume based approach which in certain circumstances produced numerical dispersion due to piecewise solution of the governing equations in computational grids and included computationally intensive and in some cases unstable iterative solutions. The YMPYRÄ framework is being developed by WaterHope, Gain Oy, and SITO Oy consulting companies and funded by FDF.

Elucidating the breathing of the metal-organic framework MIL-53(Sc) with ab initio molecular dynamics simulations and in situ X-ray powder diffraction experiments.

PubMed

Chen, Linjiang; Mowat, John P S; Fairen-Jimenez, David; Morrison, Carole A; Thompson, Stephen P; Wright, Paul A; Düren, Tina

2013-10-23

Ab initio molecular dynamics (AIMD) simulations have been used to predict structural transitions of the breathing metal-organic framework (MOF) MIL-53(Sc) in response to changes in temperature over the range 100-623 K and adsorption of CO2 at 0-0.9 bar at 196 K. The method has for the first time been shown to predict successfully both temperature-dependent structural changes and the structural response to variable sorbate uptake of a flexible MOF. AIMD employing dispersion-corrected density functional theory accurately simulated the experimentally observed closure of MIL-53(Sc) upon solvent removal and the transition of the empty MOF from the closed-pore phase to the very-narrow-pore phase (symmetry change from P2(1)/c to C2/c) with increasing temperature, indicating that it can directly take into account entropic as well as enthalpic effects. We also used AIMD simulations to mimic the CO2 adsorption of MIL-53(Sc) in silico by allowing the MIL-53(Sc) framework to evolve freely in response to CO2 loadings corresponding to the two steps in the experimental adsorption isotherm. The resulting structures enabled the structure determination of the two CO2-containing intermediate and large-pore phases observed by experimental synchrotron X-ray diffraction studies with increasing CO2 pressure; this would not have been possible for the intermediate structure via conventional methods because of diffraction peak broadening. Furthermore, the strong and anisotropic peak broadening observed for the intermediate structure could be explained in terms of fluctuations of the framework predicted by the AIMD simulations. Fundamental insights from the molecular-level interactions further revealed the origin of the breathing of MIL-53(Sc) upon temperature variation and CO2 adsorption. These simulations illustrate the power of the AIMD method for the prediction and understanding of the behavior of flexible microporous solids.

Component Framework for Loosely Coupled High Performance Integrated Plasma Simulations

NASA Astrophysics Data System (ADS)

Elwasif, W. R.; Bernholdt, D. E.; Shet, A. G.; Batchelor, D. B.; Foley, S.

2010-11-01

We present the design and implementation of a component-based simulation framework for the execution of coupled time-dependent plasma modeling codes. The Integrated Plasma Simulator (IPS) provides a flexible lightweight component model that streamlines the integration of stand alone codes into coupled simulations. Standalone codes are adapted to the IPS component interface specification using a thin wrapping layer implemented in the Python programming language. The framework provides services for inter-component method invocation, configuration, task, and data management, asynchronous event management, simulation monitoring, and checkpoint/restart capabilities. Services are invoked, as needed, by the computational components to coordinate the execution of different aspects of coupled simulations on Massive parallel Processing (MPP) machines. A common plasma state layer serves as the foundation for inter-component, file-based data exchange. The IPS design principles, implementation details, and execution model will be presented, along with an overview of several use cases.

Framework for Development of Object-Oriented Software

NASA Technical Reports Server (NTRS)

Perez-Poveda, Gus; Ciavarella, Tony; Nieten, Dan

2004-01-01

The Real-Time Control (RTC) Application Framework is a high-level software framework written in C++ that supports the rapid design and implementation of object-oriented application programs. This framework provides built-in functionality that solves common software development problems within distributed client-server, multi-threaded, and embedded programming environments. When using the RTC Framework to develop software for a specific domain, designers and implementers can focus entirely on the details of the domain-specific software rather than on creating custom solutions, utilities, and frameworks for the complexities of the programming environment. The RTC Framework was originally developed as part of a Space Shuttle Launch Processing System (LPS) replacement project called Checkout and Launch Control System (CLCS). As a result of the framework s development, CLCS software development time was reduced by 66 percent. The framework is generic enough for developing applications outside of the launch-processing system domain. Other applicable high-level domains include command and control systems and simulation/ training systems.

Mechanisms of electron acceptor utilization: Implications for simulating anaerobic biodegradation

USGS Publications Warehouse

Schreiber, M.E.; Carey, G.R.; Feinstein, D.T.; Bahr, J.M.

2004-01-01

Simulation of biodegradation reactions within a reactive transport framework requires information on mechanisms of terminal electron acceptor processes (TEAPs). In initial modeling efforts, TEAPs were approximated as occurring sequentially, with the highest energy-yielding electron acceptors (e.g. oxygen) consumed before those that yield less energy (e.g., sulfate). Within this framework in a steady state plume, sequential electron acceptor utilization would theoretically produce methane at an organic-rich source and Fe(II) further downgradient, resulting in a limited zone of Fe(II) and methane overlap. However, contaminant plumes often display much more extensive zones of overlapping Fe(II) and methane. The extensive overlap could be caused by several abiotic and biotic processes including vertical mixing of byproducts in long-screened monitoring wells, adsorption of Fe(II) onto aquifer solids, or microscale heterogeneity in Fe(III) concentrations. Alternatively, the overlap could be due to simultaneous utilization of terminal electron acceptors. Because biodegradation rates are controlled by TEAPs, evaluating the mechanisms of electron acceptor utilization is critical for improving prediction of contaminant mass losses due to biodegradation. Using BioRedox-MT3DMS, a three-dimensional, multi-species reactive transport code, we simulated the current configurations of a BTEX plume and TEAP zones at a petroleum- contaminated field site in Wisconsin. Simulation results suggest that BTEX mass loss due to biodegradation is greatest under oxygen-reducing conditions, with smaller but similar contributions to mass loss from biodegradation under Fe(III)-reducing, sulfate-reducing, and methanogenic conditions. Results of sensitivity calculations document that BTEX losses due to biodegradation are most sensitive to the age of the plume, while the shape of the BTEX plume is most sensitive to effective porosity and rate constants for biodegradation under Fe(III)-reducing and methanogenic conditions. Using this transport model, we had limited success in simulating overlap of redox products using reasonable ranges of parameters within a strictly sequential electron acceptor utilization framework. Simulation results indicate that overlap of redox products cannot be accurately simulated using the constructed model, suggesting either that Fe(III) reduction and methanogenesis are occurring simultaneously in the source area, or that heterogeneities in Fe(III) concentration and/or mineral type cause the observed overlap. Additional field, experimental, and modeling studies will be needed to address these questions. ?? 2004 Elsevier B.V. All rights reserved.

Towards a conceptual multi-agent-based framework to simulate the spatial group decision-making process

NASA Astrophysics Data System (ADS)

Ghavami, Seyed Morsal; Taleai, Mohammad

2017-04-01

Most spatial problems are multi-actor, multi-issue and multi-phase in nature. In addition to their intrinsic complexity, spatial problems usually involve groups of actors from different organizational and cognitive backgrounds, all of whom participate in a social structure to resolve or reduce the complexity of a given problem. Hence, it is important to study and evaluate what different aspects influence the spatial problem resolution process. Recently, multi-agent systems consisting of groups of separate agent entities all interacting with each other have been put forward as appropriate tools to use to study and resolve such problems. In this study, then in order to generate a better level of understanding regarding the spatial problem group decision-making process, a conceptual multi-agent-based framework is used that represents and specifies all the necessary concepts and entities needed to aid group decision making, based on a simulation of the group decision-making process as well as the relationships that exist among the different concepts involved. The study uses five main influencing entities as concepts in the simulation process: spatial influence, individual-level influence, group-level influence, negotiation influence and group performance measures. Further, it explains the relationship among different concepts in a descriptive rather than explanatory manner. To illustrate the proposed framework, the approval process for an urban land use master plan in Zanjan—a provincial capital in Iran—is simulated using MAS, the results highlighting the effectiveness of applying an MAS-based framework when wishing to study the group decision-making process used to resolve spatial problems.

A Framework to Analyze the Performance of Load Balancing Schemes for Ensembles of Stochastic Simulations

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

Ahn, Tae-Hyuk; Sandu, Adrian; Watson, Layne T.

2015-08-01

Ensembles of simulations are employed to estimate the statistics of possible future states of a system, and are widely used in important applications such as climate change and biological modeling. Ensembles of runs can naturally be executed in parallel. However, when the CPU times of individual simulations vary considerably, a simple strategy of assigning an equal number of tasks per processor can lead to serious work imbalances and low parallel efficiency. This paper presents a new probabilistic framework to analyze the performance of dynamic load balancing algorithms for ensembles of simulations where many tasks are mapped onto each processor, andmore » where the individual compute times vary considerably among tasks. Four load balancing strategies are discussed: most-dividing, all-redistribution, random-polling, and neighbor-redistribution. Simulation results with a stochastic budding yeast cell cycle model are consistent with the theoretical analysis. It is especially significant that there is a provable global decrease in load imbalance for the local rebalancing algorithms due to scalability concerns for the global rebalancing algorithms. The overall simulation time is reduced by up to 25 %, and the total processor idle time by 85 %.« less

Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8

DOE PAGES

Parkes, Marie V.; Demir, Hakan; Teich-McGoldrick, Stephanie L.; ...

2014-03-28

Molecular dynamics simulations were used to investigate trends in noble gas (Ar, Kr, Xe) diffusion in the metal-organic frameworks HKUST-1 and ZIF-8. Diffusion occurs primarily through inter-cage jump events, with much greater diffusion of guest atoms in HKUST-1 compared to ZIF-8 due to the larger cage and window sizes in the former. We compare diffusion coefficients calculated for both rigid and flexible frameworks. For rigid framework simulations, in which the framework atoms were held at their crystallographic or geometry optimized coordinates, sometimes dramatic differences in guest diffusion were seen depending on the initial framework structure or the choice of frameworkmore » force field parameters. When framework flexibility effects were included, argon and krypton diffusion increased significantly compared to rigid-framework simulations using general force field parameters. Additionally, for argon and krypton in ZIF-8, guest diffusion increased with loading, demonstrating that guest-guest interactions between cages enhance inter-cage diffusion. No inter-cage jump events were seen for xenon atoms in ZIF-8 regardless of force field or initial structure, and the loading dependence of xenon diffusion in HKUST-1 is different for rigid and flexible frameworks. Diffusion of krypton and xenon in HKUST-1 depends on two competing effects: the steric effect that decreases diffusion as loading increases, and the “small cage effect” that increases diffusion as loading increases. Finally, a detailed analysis of the window size in ZIF-8 reveals that the window increases beyond its normal size to permit passage of a (nominally) larger krypton atom.« less

Simulation-based optimization framework for reuse of agricultural drainage water in irrigation.

PubMed

Allam, A; Tawfik, A; Yoshimura, C; Fleifle, A

2016-05-01

A simulation-based optimization framework for agricultural drainage water (ADW) reuse has been developed through the integration of a water quality model (QUAL2Kw) and a genetic algorithm. This framework was applied to the Gharbia drain in the Nile Delta, Egypt, in summer and winter 2012. First, the water quantity and quality of the drain was simulated using the QUAL2Kw model. Second, uncertainty analysis and sensitivity analysis based on Monte Carlo simulation were performed to assess QUAL2Kw's performance and to identify the most critical variables for determination of water quality, respectively. Finally, a genetic algorithm was applied to maximize the total reuse quantity from seven reuse locations with the condition not to violate the standards for using mixed water in irrigation. The water quality simulations showed that organic matter concentrations are critical management variables in the Gharbia drain. The uncertainty analysis showed the reliability of QUAL2Kw to simulate water quality and quantity along the drain. Furthermore, the sensitivity analysis showed that the 5-day biochemical oxygen demand, chemical oxygen demand, total dissolved solids, total nitrogen and total phosphorous are highly sensitive to point source flow and quality. Additionally, the optimization results revealed that the reuse quantities of ADW can reach 36.3% and 40.4% of the available ADW in the drain during summer and winter, respectively. These quantities meet 30.8% and 29.1% of the drainage basin requirements for fresh irrigation water in the respective seasons. Copyright © 2016 Elsevier Ltd. All rights reserved.

A discrete event modelling framework for simulation of long-term outcomes of sequential treatment strategies for ankylosing spondylitis.

PubMed

Tran-Duy, An; Boonen, Annelies; van de Laar, Mart A F J; Franke, Angelinus C; Severens, Johan L

2011-12-01

To develop a modelling framework which can simulate long-term quality of life, societal costs and cost-effectiveness as affected by sequential drug treatment strategies for ankylosing spondylitis (AS). Discrete event simulation paradigm was selected for model development. Drug efficacy was modelled as changes in disease activity (Bath Ankylosing Spondylitis Disease Activity Index (BASDAI)) and functional status (Bath Ankylosing Spondylitis Functional Index (BASFI)), which were linked to costs and health utility using statistical models fitted based on an observational AS cohort. Published clinical data were used to estimate drug efficacy and time to events. Two strategies were compared: (1) five available non-steroidal anti-inflammatory drugs (strategy 1) and (2) same as strategy 1 plus two tumour necrosis factor α inhibitors (strategy 2). 13,000 patients were followed up individually until death. For probability sensitivity analysis, Monte Carlo simulations were performed with 1000 sets of parameters sampled from the appropriate probability distributions. The models successfully generated valid data on treatments, BASDAI, BASFI, utility, quality-adjusted life years (QALYs) and costs at time points with intervals of 1-3 months during the simulation length of 70 years. Incremental cost per QALY gained in strategy 2 compared with strategy 1 was €35,186. At a willingness-to-pay threshold of €80,000, it was 99.9% certain that strategy 2 was cost-effective. The modelling framework provides great flexibility to implement complex algorithms representing treatment selection, disease progression and changes in costs and utilities over time of patients with AS. Results obtained from the simulation are plausible.

Learn, see, practice, prove, do, maintain: an evidence-based pedagogical framework for procedural skill training in medicine.

PubMed

Sawyer, Taylor; White, Marjorie; Zaveri, Pavan; Chang, Todd; Ades, Anne; French, Heather; Anderson, JoDee; Auerbach, Marc; Johnston, Lindsay; Kessler, David

2015-08-01

Acquisition of competency in procedural skills is a fundamental goal of medical training. In this Perspective, the authors propose an evidence-based pedagogical framework for procedural skill training. The framework was developed based on a review of the literature using a critical synthesis approach and builds on earlier models of procedural skill training in medicine. The authors begin by describing the fundamentals of procedural skill development. Then, a six-step pedagogical framework for procedural skills training is presented: Learn, See, Practice, Prove, Do, and Maintain. In this framework, procedural skill training begins with the learner acquiring requisite cognitive knowledge through didactic education (Learn) and observation of the procedure (See). The learner then progresses to the stage of psychomotor skill acquisition and is allowed to deliberately practice the procedure on a simulator (Practice). Simulation-based mastery learning is employed to allow the trainee to prove competency prior to performing the procedure on a patient (Prove). Once competency is demonstrated on a simulator, the trainee is allowed to perform the procedure on patients with direct supervision, until he or she can be entrusted to perform the procedure independently (Do). Maintenance of the skill is ensured through continued clinical practice, supplemented by simulation-based training as needed (Maintain). Evidence in support of each component of the framework is presented. Implementation of the proposed framework presents a paradigm shift in procedural skill training. However, the authors believe that adoption of the framework will improve procedural skill training and patient safety.

Dynamics simulations for engineering macromolecular interactions

PubMed Central

Robinson-Mosher, Avi; Shinar, Tamar; Silver, Pamela A.; Way, Jeffrey

2013-01-01

The predictable engineering of well-behaved transcriptional circuits is a central goal of synthetic biology. The artificial attachment of promoters to transcription factor genes usually results in noisy or chaotic behaviors, and such systems are unlikely to be useful in practical applications. Natural transcriptional regulation relies extensively on protein-protein interactions to insure tightly controlled behavior, but such tight control has been elusive in engineered systems. To help engineer protein-protein interactions, we have developed a molecular dynamics simulation framework that simplifies features of proteins moving by constrained Brownian motion, with the goal of performing long simulations. The behavior of a simulated protein system is determined by summation of forces that include a Brownian force, a drag force, excluded volume constraints, relative position constraints, and binding constraints that relate to experimentally determined on-rates and off-rates for chosen protein elements in a system. Proteins are abstracted as spheres. Binding surfaces are defined radially within a protein. Peptide linkers are abstracted as small protein-like spheres with rigid connections. To address whether our framework could generate useful predictions, we simulated the behavior of an engineered fusion protein consisting of two 20 000 Da proteins attached by flexible glycine/serine-type linkers. The two protein elements remained closely associated, as if constrained by a random walk in three dimensions of the peptide linker, as opposed to showing a distribution of distances expected if movement were dominated by Brownian motion of the protein domains only. We also simulated the behavior of fluorescent proteins tethered by a linker of varying length, compared the predicted Förster resonance energy transfer with previous experimental observations, and obtained a good correspondence. Finally, we simulated the binding behavior of a fusion of two ligands that could simultaneously bind to distinct cell-surface receptors, and explored the landscape of linker lengths and stiffnesses that could enhance receptor binding of one ligand when the other ligand has already bound to its receptor, thus, addressing potential mechanisms for improving targeted signal transduction proteins. These specific results have implications for the design of targeted fusion proteins and artificial transcription factors involving fusion of natural domains. More broadly, the simulation framework described here could be extended to include more detailed system features such as non-spherical protein shapes and electrostatics, without requiring detailed, computationally expensive specifications. This framework should be useful in predicting behavior of engineered protein systems including binding and dissociation reactions. PMID:23822508

Development of an OSSE Framework for a Global Atmospheric Data Assimilation System

NASA Technical Reports Server (NTRS)

Gelaro, Ronald; Errico, Ronald M.; Prive, N.

2012-01-01

Observing system simulation experiments (OSSEs) are powerful tools for estimating the usefulness of various configurations of envisioned observing systems and data assimilation techniques. Their utility stems from their being conducted in an entirely simulated context, utilizing simulated observations having simulated errors and drawn from a simulation of the earth's environment. Observations are generated by applying physically based algorithms to the simulated state, such as performed during data assimilation or using other appropriate algorithms. Adding realistic instrument plus representativeness errors, including their biases and correlations, can be critical for obtaining realistic assessments of the impact of a proposed observing system or analysis technique. If estimates of the expected accuracy of proposed observations are realistic, then the OSSE can be also used to learn how best to utilize the new information, accelerating its transition to operations once the real data are available. As with any inferences from simulations, however, it is first imperative that some baseline OSSEs are performed and well validated against corresponding results obtained with a real observing system. This talk provides an overview of, and highlights critical issues related to, the development of an OSSE framework for the tropospheric weather prediction component of the NASA GEOS-5 global atmospheric data assimilation system. The framework includes all existing observations having significant impact on short-term forecast skill. Its validity has been carefully assessed using a range of metrics that can be evaluated in both the OSSE and real contexts, including adjoint-based estimates of observation impact. A preliminary application to the Aeolus Doppler wind lidar mission, scheduled for launch by the European Space Agency in 2014, has also been investigated.

A conceptual modeling framework for discrete event simulation using hierarchical control structures.

PubMed

Furian, N; O'Sullivan, M; Walker, C; Vössner, S; Neubacher, D

2015-08-01

Conceptual Modeling (CM) is a fundamental step in a simulation project. Nevertheless, it is only recently that structured approaches towards the definition and formulation of conceptual models have gained importance in the Discrete Event Simulation (DES) community. As a consequence, frameworks and guidelines for applying CM to DES have emerged and discussion of CM for DES is increasing. However, both the organization of model-components and the identification of behavior and system control from standard CM approaches have shortcomings that limit CM's applicability to DES. Therefore, we discuss the different aspects of previous CM frameworks and identify their limitations. Further, we present the Hierarchical Control Conceptual Modeling framework that pays more attention to the identification of a models' system behavior, control policies and dispatching routines and their structured representation within a conceptual model. The framework guides the user step-by-step through the modeling process and is illustrated by a worked example.

The LSST metrics analysis framework (MAF)

NASA Astrophysics Data System (ADS)

Jones, R. L.; Yoachim, Peter; Chandrasekharan, Srinivasan; Connolly, Andrew J.; Cook, Kem H.; Ivezic, Željko; Krughoff, K. S.; Petry, Catherine; Ridgway, Stephen T.

2014-07-01

We describe the Metrics Analysis Framework (MAF), an open-source python framework developed to provide a user-friendly, customizable, easily-extensible set of tools for analyzing data sets. MAF is part of the Large Synoptic Survey Telescope (LSST) Simulations effort. Its initial goal is to provide a tool to evaluate LSST Operations Simulation (OpSim) simulated surveys to help understand the effects of telescope scheduling on survey performance, however MAF can be applied to a much wider range of datasets. The building blocks of the framework are Metrics (algorithms to analyze a given quantity of data), Slicers (subdividing the overall data set into smaller data slices as relevant for each Metric), and Database classes (to access the dataset and read data into memory). We describe how these building blocks work together, and provide an example of using MAF to evaluate different dithering strategies. We also outline how users can write their own custom Metrics and use these within the framework.

A conceptual modeling framework for discrete event simulation using hierarchical control structures

PubMed Central

Furian, N.; O’Sullivan, M.; Walker, C.; Vössner, S.; Neubacher, D.

2015-01-01

Conceptual Modeling (CM) is a fundamental step in a simulation project. Nevertheless, it is only recently that structured approaches towards the definition and formulation of conceptual models have gained importance in the Discrete Event Simulation (DES) community. As a consequence, frameworks and guidelines for applying CM to DES have emerged and discussion of CM for DES is increasing. However, both the organization of model-components and the identification of behavior and system control from standard CM approaches have shortcomings that limit CM’s applicability to DES. Therefore, we discuss the different aspects of previous CM frameworks and identify their limitations. Further, we present the Hierarchical Control Conceptual Modeling framework that pays more attention to the identification of a models’ system behavior, control policies and dispatching routines and their structured representation within a conceptual model. The framework guides the user step-by-step through the modeling process and is illustrated by a worked example. PMID:26778940

A Multi Agent-Based Framework for Simulating Household PHEV Distribution and Electric Distribution Network Impact

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

Cui, Xiaohui; Liu, Cheng; Kim, Hoe Kyoung

2011-01-01

The variation of household attributes such as income, travel distance, age, household member, and education for different residential areas may generate different market penetration rates for plug-in hybrid electric vehicle (PHEV). Residential areas with higher PHEV ownership could increase peak electric demand locally and require utilities to upgrade the electric distribution infrastructure even though the capacity of the regional power grid is under-utilized. Estimating the future PHEV ownership distribution at the residential household level can help us understand the impact of PHEV fleet on power line congestion, transformer overload and other unforeseen problems at the local residential distribution network level.more » It can also help utilities manage the timing of recharging demand to maximize load factors and utilization of existing distribution resources. This paper presents a multi agent-based simulation framework for 1) modeling spatial distribution of PHEV ownership at local residential household level, 2) discovering PHEV hot zones where PHEV ownership may quickly increase in the near future, and 3) estimating the impacts of the increasing PHEV ownership on the local electric distribution network with different charging strategies. In this paper, we use Knox County, TN as a case study to show the simulation results of the agent-based model (ABM) framework. However, the framework can be easily applied to other local areas in the US.« less

MAGE (M-file/Mif Automatic GEnerator): A graphical interface tool for automatic generation of Object Oriented Micromagnetic Framework configuration files and Matlab scripts for results analysis

NASA Astrophysics Data System (ADS)

Chęciński, Jakub; Frankowski, Marek

2016-10-01

We present a tool for fully-automated generation of both simulations configuration files (Mif) and Matlab scripts for automated data analysis, dedicated for Object Oriented Micromagnetic Framework (OOMMF). We introduce extended graphical user interface (GUI) that allows for fast, error-proof and easy creation of Mifs, without any programming skills usually required for manual Mif writing necessary. With MAGE we provide OOMMF extensions for complementing it by mangetoresistance and spin-transfer-torque calculations, as well as local magnetization data selection for output. Our software allows for creation of advanced simulations conditions like simultaneous parameters sweeps and synchronic excitation application. Furthermore, since output of such simulation could be long and complicated we provide another GUI allowing for automated creation of Matlab scripts suitable for analysis of such data with Fourier and wavelet transforms as well as user-defined operations.

High-fidelity simulations of unsteady civil aircraft aerodynamics: stakes and perspectives. Application of zonal detached eddy simulation.

PubMed

Deck, Sébastien; Gand, Fabien; Brunet, Vincent; Ben Khelil, Saloua

2014-08-13

This paper provides an up-to-date survey of the use of zonal detached eddy simulations (ZDES) for unsteady civil aircraft applications as a reflection on the stakes and perspectives of the use of hybrid methods in the framework of industrial aerodynamics. The issue of zonal or non-zonal treatment of turbulent flows for engineering applications is discussed. The ZDES method used in this article and based on a fluid problem-dependent zonalization is briefly presented. Some recent landmark achievements for conditions all over the flight envelope are presented, including low-speed (aeroacoustics of high-lift devices and landing gear), cruising (engine-airframe interactions), propulsive jets and off-design (transonic buffet and dive manoeuvres) applications. The implications of such results and remaining challenges in a more global framework are further discussed. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

War-gaming application for future space systems acquisition: MATLAB implementation of war-gaming acquisition models and simulation results

NASA Astrophysics Data System (ADS)

Vienhage, Paul; Barcomb, Heather; Marshall, Karel; Black, William A.; Coons, Amanda; Tran, Hien T.; Nguyen, Tien M.; Guillen, Andy T.; Yoh, James; Kizer, Justin; Rogers, Blake A.

2017-05-01

The paper describes the MATLAB (MathWorks) programs that were developed during the REU workshop1 to implement The Aerospace Corporation developed Unified Game-based Acquisition Framework and Advanced Game - based Mathematical Framework (UGAF-AGMF) and its associated War-Gaming Engine (WGE) models. Each game can be played from the perspectives of the Department of Defense Acquisition Authority (DAA) or of an individual contractor (KTR). The programs also implement Aerospace's optimum "Program and Technical Baseline (PTB) and associated acquisition" strategy that combines low Total Ownership Cost (TOC) with innovative designs while still meeting warfighter needs. The paper also describes the Bayesian Acquisition War-Gaming approach using Monte Carlo simulations, a numerical analysis technique to account for uncertainty in decision making, which simulate the PTB development and acquisition processes and will detail the procedure of the implementation and the interactions between the games.

Faunus: An object oriented framework for molecular simulation

PubMed Central

Lund, Mikael; Trulsson, Martin; Persson, Björn

2008-01-01

Background We present a C++ class library for Monte Carlo simulation of molecular systems, including proteins in solution. The design is generic and highly modular, enabling multiple developers to easily implement additional features. The statistical mechanical methods are documented by extensive use of code comments that – subsequently – are collected to automatically build a web-based manual. Results We show how an object oriented design can be used to create an intuitively appealing coding framework for molecular simulation. This is exemplified in a minimalistic C++ program that can calculate protein protonation states. We further discuss performance issues related to high level coding abstraction. Conclusion C++ and the Standard Template Library (STL) provide a high-performance platform for generic molecular modeling. Automatic generation of code documentation from inline comments has proven particularly useful in that no separate manual needs to be maintained. PMID:18241331

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics

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

Martínez, Enrique; Cawkwell, Marc J.; Voter, Arthur F.

Here, Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached atmore » each time step. Lastly, the thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.« less

Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics

DOE PAGES

Martínez, Enrique; Cawkwell, Marc J.; Voter, Arthur F.; ...

2015-04-21

Here, Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached atmore » each time step. Lastly, the thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.« less

Investigating the constraint imposed by column averaged PBL CO2 data within an atmospheric inversion framework

NASA Astrophysics Data System (ADS)

Schuh, A. E.; Kawa, S. R.; Denning, A. S.; Baker, D. F.; Ramanathan, A. K.

2014-12-01

It was initially hoped that the proposed Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) NASA mission could rectify diurnal fluxes through it's ability to measure during both days and nights. However, initial simulation results (Kawa et al 2010) showed limited skill at identifying diurnal differences in fluxes. We investigate the possibility of (1) supplementing ASCENDS with well chosen in-situ surface sites and/or (2) adding distinct column measurements for the PBL and free troposphere into the inversion framework to determine the impact on recovering net ecosystem exchange (NEE), as well as distinct gross primary production (GPP) and respiration fluxes. In particular, we run forward simulations and inversions with distinct respiration and GPP fluxes calculated from the SiB model (Baker et al 2008) and test the ability of an EnKF based inversion framework to recover a hypothetical tropical CO2 fertilization effect resulting in enhanced GPP. Baker, I. T.; Prihodko, L.; Denning, A. S.; Goulden, M.; Miller, S. & da Rocha, H. R. (2008), 'Seasonal drought stress in the Amazon: Reconciling 3 models and observations', Journal of Geophysical Research 113. Kawa, S. R.; MAO, J.; ABSHIRE, J. B.; J., C. G.; SUN, X. & WEAVER, C. J. (2010), 'Simulation studies for a space-based CO2 lidar mission.', Tellus B 62, 759-769.

Frameworks and Tools for High-Confidence Design of Adaptive, Distributed Embedded Control Systems. Multi-University Research Initiative on High-Confidence Design for Distributed Embedded Systems

DTIC Science & Technology

2009-01-01

controllers (currently using the Robostix+Gumstix pair ). The interface between the plant simulator and the controller is ‘hard real-time’, and the xPC box... simulation ) on aerobatic maneuver design for the STARMAC quadrotor helicopter testbed. In related work, we have developed a new optimization scheme...for scheduling hybrid systems, and have demonstrated the results on an autonomous car simulation testbed. We are focusing efforts this summer for

Quantifying and reducing model-form uncertainties in Reynolds-averaged Navier-Stokes simulations: A data-driven, physics-informed Bayesian approach

NASA Astrophysics Data System (ADS)

Xiao, H.; Wu, J.-L.; Wang, J.-X.; Sun, R.; Roy, C. J.

2016-11-01

Despite their well-known limitations, Reynolds-Averaged Navier-Stokes (RANS) models are still the workhorse tools for turbulent flow simulations in today's engineering analysis, design and optimization. While the predictive capability of RANS models depends on many factors, for many practical flows the turbulence models are by far the largest source of uncertainty. As RANS models are used in the design and safety evaluation of many mission-critical systems such as airplanes and nuclear power plants, quantifying their model-form uncertainties has significant implications in enabling risk-informed decision-making. In this work we develop a data-driven, physics-informed Bayesian framework for quantifying model-form uncertainties in RANS simulations. Uncertainties are introduced directly to the Reynolds stresses and are represented with compact parameterization accounting for empirical prior knowledge and physical constraints (e.g., realizability, smoothness, and symmetry). An iterative ensemble Kalman method is used to assimilate the prior knowledge and observation data in a Bayesian framework, and to propagate them to posterior distributions of velocities and other Quantities of Interest (QoIs). We use two representative cases, the flow over periodic hills and the flow in a square duct, to evaluate the performance of the proposed framework. Both cases are challenging for standard RANS turbulence models. Simulation results suggest that, even with very sparse observations, the obtained posterior mean velocities and other QoIs have significantly better agreement with the benchmark data compared to the baseline results. At most locations the posterior distribution adequately captures the true model error within the developed model form uncertainty bounds. The framework is a major improvement over existing black-box, physics-neutral methods for model-form uncertainty quantification, where prior knowledge and details of the models are not exploited. This approach has potential implications in many fields in which the governing equations are well understood but the model uncertainty comes from unresolved physical processes.

A modelling framework to simulate foliar fungal epidemics using functional–structural plant models

PubMed Central

Garin, Guillaume; Fournier, Christian; Andrieu, Bruno; Houlès, Vianney; Robert, Corinne; Pradal, Christophe

2014-01-01

Background and Aims Sustainable agriculture requires the identification of new, environmentally responsible strategies of crop protection. Modelling of pathosystems can allow a better understanding of the major interactions inside these dynamic systems and may lead to innovative protection strategies. In particular, functional–structural plant models (FSPMs) have been identified as a means to optimize the use of architecture-related traits. A current limitation lies in the inherent complexity of this type of modelling, and thus the purpose of this paper is to provide a framework to both extend and simplify the modelling of pathosystems using FSPMs. Methods Different entities and interactions occurring in pathosystems were formalized in a conceptual model. A framework based on these concepts was then implemented within the open-source OpenAlea modelling platform, using the platform's general strategy of modelling plant–environment interactions and extending it to handle plant interactions with pathogens. New developments include a generic data structure for representing lesions and dispersal units, and a series of generic protocols to communicate with objects representing the canopy and its microenvironment in the OpenAlea platform. Another development is the addition of a library of elementary models involved in pathosystem modelling. Several plant and physical models are already available in OpenAlea and can be combined in models of pathosystems using this framework approach. Key Results Two contrasting pathosystems are implemented using the framework and illustrate its generic utility. Simulations demonstrate the framework's ability to simulate multiscaled interactions within pathosystems, and also show that models are modular components within the framework and can be extended. This is illustrated by testing the impact of canopy architectural traits on fungal dispersal. Conclusions This study provides a framework for modelling a large number of pathosystems using FSPMs. This structure can accommodate both previously developed models for individual aspects of pathosystems and new ones. Complex models are deconstructed into separate ‘knowledge sources’ originating from different specialist areas of expertise and these can be shared and reassembled into multidisciplinary models. The framework thus provides a beneficial tool for a potential diverse and dynamic research community. PMID:24925323

High-resolution, regional-scale crop yield simulations for the Southwestern United States

NASA Astrophysics Data System (ADS)

Stack, D. H.; Kafatos, M.; Medvigy, D.; El-Askary, H. M.; Hatzopoulos, N.; Kim, J.; Kim, S.; Prasad, A. K.; Tremback, C.; Walko, R. L.; Asrar, G. R.

2012-12-01

Over the past few decades, there have been many process-based crop models developed with the goal of better understanding the impacts of climate, soils, and management decisions on crop yields. These models simulate the growth and development of crops in response to environmental drivers. Traditionally, process-based crop models have been run at the individual farm level for yield optimization and management scenario testing. Few previous studies have used these models over broader geographic regions, largely due to the lack of gridded high-resolution meteorological and soil datasets required as inputs for these data intensive process-based models. In particular, assessment of regional-scale yield variability due to climate change requires high-resolution, regional-scale, climate projections, and such projections have been unavailable until recently. The goal of this study was to create a framework for extending the Agricultural Production Systems sIMulator (APSIM) crop model for use at regional scales and analyze spatial and temporal yield changes in the Southwestern United States (CA, AZ, and NV). Using the scripting language Python, an automated pipeline was developed to link Regional Climate Model (RCM) output with the APSIM crop model, thus creating a one-way nested modeling framework. This framework was used to combine climate, soil, land use, and agricultural management datasets in order to better understand the relationship between climate variability and crop yield at the regional-scale. Three different RCMs were used to drive APSIM: OLAM, RAMS, and WRF. Preliminary results suggest that, depending on the model inputs, there is some variability between simulated RCM driven maize yields and historical yields obtained from the United States Department of Agriculture (USDA). Furthermore, these simulations showed strong non-linear correlations between yield and meteorological drivers, with critical threshold values for some of the inputs (e.g. minimum and maximum temperature), beyond which the yields were negatively affected. These results are now being used for further regional-scale yield analysis as the aforementioned framework is adaptable to multiple geographic regions and crop types.

Open-source framework for documentation of scientific software written on MATLAB-compatible programming languages

NASA Astrophysics Data System (ADS)

Konnik, Mikhail V.; Welsh, James

2012-09-01

Numerical simulators for adaptive optics systems have become an essential tool for the research and development of the future advanced astronomical instruments. However, growing software code of the numerical simulator makes it difficult to continue to support the code itself. The problem of adequate documentation of the astronomical software for adaptive optics simulators may complicate the development since the documentation must contain up-to-date schemes and mathematical descriptions implemented in the software code. Although most modern programming environments like MATLAB or Octave have in-built documentation abilities, they are often insufficient for the description of a typical adaptive optics simulator code. This paper describes a general cross-platform framework for the documentation of scientific software using open-source tools such as LATEX, mercurial, Doxygen, and Perl. Using the Perl script that translates M-files MATLAB comments into C-like, one can use Doxygen to generate and update the documentation for the scientific source code. The documentation generated by this framework contains the current code description with mathematical formulas, images, and bibliographical references. A detailed description of the framework components is presented as well as the guidelines for the framework deployment. Examples of the code documentation for the scripts and functions of a MATLAB-based adaptive optics simulator are provided.

Simulation-Based Approach for Site-Specific Optimization of Hydrokinetic Turbine Arrays

NASA Astrophysics Data System (ADS)

Sotiropoulos, F.; Chawdhary, S.; Yang, X.; Khosronejad, A.; Angelidis, D.

2014-12-01

A simulation-based approach has been developed to enable site-specific optimization of tidal and current turbine arrays in real-life waterways. The computational code is based on the St. Anthony Falls Laboratory Virtual StreamLab (VSL3D), which is able to carry out high-fidelity simulations of turbulent flow and sediment transport processes in rivers and streams taking into account the arbitrary geometrical complexity characterizing natural waterways. The computational framework can be used either in turbine-resolving mode, to take into account all geometrical details of the turbine, or with the turbines parameterized as actuator disks or actuator lines. Locally refined grids are employed to dramatically increase the resolution of the simulation and enable efficient simulations of multi-turbine arrays. Turbine/sediment interactions are simulated using the coupled hydro-morphodynamic module of VSL3D. The predictive capabilities of the resulting computational framework will be demonstrated by applying it to simulate turbulent flow past a tri-frame configuration of hydrokinetic turbines in a rigid-bed turbulent open channel flow as well as turbines mounted on mobile bed open channels to investigate turbine/sediment interactions. The utility of the simulation-based approach for guiding the optimal development of turbine arrays in real-life waterways will also be discussed and demonstrated. This work was supported by NSF grant IIP-1318201. Simulations were carried out at the Minnesota Supercomputing Institute.

A QoS Framework with Traffic Request in Wireless Mesh Network

NASA Astrophysics Data System (ADS)

Fu, Bo; Huang, Hejiao

In this paper, we consider major issues in ensuring greater Quality-of-Service (QoS) in Wireless Mesh Networks (WMNs), specifically with regard to reliability and delay. To this end, we use traffic request to record QoS requirements of data flows. In order to achieve required QoS for all data flows efficiently and with high portability, we develop Network State Update Algorithm. All assumptions, definitions, and algorithms are made exclusively with WMNs in mind, guaranteeing the portability of our framework to various environments in WMNs. The simulation results in proof that our framework is correct.

Gas turbine system simulation: An object-oriented approach

NASA Technical Reports Server (NTRS)

Drummond, Colin K.; Follen, Gregory J.; Putt, Charles W.

1993-01-01

A prototype gas turbine engine simulation has been developed that offers a generalized framework for the simulation of engines subject to steady-state and transient operating conditions. The prototype is in preliminary form, but it successfully demonstrates the viability of an object-oriented approach for generalized simulation applications. Although object oriented programming languages are-relative to FORTRAN-somewhat austere, it is proposed that gas turbine simulations of an interdisciplinary nature will benefit significantly in terms of code reliability, maintainability, and manageability. This report elucidates specific gas turbine simulation obstacles that an object-oriented framework can overcome and describes the opportunity for interdisciplinary simulation that the approach offers.

High-Performance Agent-Based Modeling Applied to Vocal Fold Inflammation and Repair.

PubMed

Seekhao, Nuttiiya; Shung, Caroline; JaJa, Joseph; Mongeau, Luc; Li-Jessen, Nicole Y K

2018-01-01

Fast and accurate computational biology models offer the prospect of accelerating the development of personalized medicine. A tool capable of estimating treatment success can help prevent unnecessary and costly treatments and potential harmful side effects. A novel high-performance Agent-Based Model (ABM) was adopted to simulate and visualize multi-scale complex biological processes arising in vocal fold inflammation and repair. The computational scheme was designed to organize the 3D ABM sub-tasks to fully utilize the resources available on current heterogeneous platforms consisting of multi-core CPUs and many-core GPUs. Subtasks are further parallelized and convolution-based diffusion is used to enhance the performance of the ABM simulation. The scheme was implemented using a client-server protocol allowing the results of each iteration to be analyzed and visualized on the server (i.e., in-situ ) while the simulation is running on the same server. The resulting simulation and visualization software enables users to interact with and steer the course of the simulation in real-time as needed. This high-resolution 3D ABM framework was used for a case study of surgical vocal fold injury and repair. The new framework is capable of completing the simulation, visualization and remote result delivery in under 7 s per iteration, where each iteration of the simulation represents 30 min in the real world. The case study model was simulated at the physiological scale of a human vocal fold. This simulation tracks 17 million biological cells as well as a total of 1.7 billion signaling chemical and structural protein data points. The visualization component processes and renders all simulated biological cells and 154 million signaling chemical data points. The proposed high-performance 3D ABM was verified through comparisons with empirical vocal fold data. Representative trends of biomarker predictions in surgically injured vocal folds were observed.

High-Performance Agent-Based Modeling Applied to Vocal Fold Inflammation and Repair

PubMed Central

Seekhao, Nuttiiya; Shung, Caroline; JaJa, Joseph; Mongeau, Luc; Li-Jessen, Nicole Y. K.

2018-01-01

Fast and accurate computational biology models offer the prospect of accelerating the development of personalized medicine. A tool capable of estimating treatment success can help prevent unnecessary and costly treatments and potential harmful side effects. A novel high-performance Agent-Based Model (ABM) was adopted to simulate and visualize multi-scale complex biological processes arising in vocal fold inflammation and repair. The computational scheme was designed to organize the 3D ABM sub-tasks to fully utilize the resources available on current heterogeneous platforms consisting of multi-core CPUs and many-core GPUs. Subtasks are further parallelized and convolution-based diffusion is used to enhance the performance of the ABM simulation. The scheme was implemented using a client-server protocol allowing the results of each iteration to be analyzed and visualized on the server (i.e., in-situ) while the simulation is running on the same server. The resulting simulation and visualization software enables users to interact with and steer the course of the simulation in real-time as needed. This high-resolution 3D ABM framework was used for a case study of surgical vocal fold injury and repair. The new framework is capable of completing the simulation, visualization and remote result delivery in under 7 s per iteration, where each iteration of the simulation represents 30 min in the real world. The case study model was simulated at the physiological scale of a human vocal fold. This simulation tracks 17 million biological cells as well as a total of 1.7 billion signaling chemical and structural protein data points. The visualization component processes and renders all simulated biological cells and 154 million signaling chemical data points. The proposed high-performance 3D ABM was verified through comparisons with empirical vocal fold data. Representative trends of biomarker predictions in surgically injured vocal folds were observed. PMID:29706894

Simulation of Blast Loading on an Ultrastructurally-based Computational Model of the Ocular Lens

DTIC Science & Technology

2016-12-01

organelles. Additionally, the cell membranes demonstrated the classic ball-and-socket loops . For the SEM images, they were placed in two fixatives and mounted...considered (fibrous network and matrix), both components are modelled using a hyper - elastic framework, and the resulting constitutive model is embedded in a...within the framework of hyper - elasticity). Full details on the linearization procedures that were adopted in these previous models or the convergence

Triple collinear emissions in parton showers

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

Höche, Stefan; Prestel, Stefan

2017-10-01

A framework to include triple collinear splitting functions into parton showers is presented, and the implementation of flavor-changing NLO splitting kernels is discussed as a first application. The correspondence between the Monte-Carlo integration and the analytic computation of NLO DGLAP evolution kernels is made explicit for both timelike and spacelike parton evolution. Numerical simulation results are obtained with two independent implementations of the new algorithm, using the two independent event generation frameworks Pythia and Sherpa.

M3MS-16OR0401086 – Report on NEAMS Workbench Support for MOOSE Applications

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

Lefebvre, Robert A.; Langley, Brandon R.; Thompson, Adam B.

This report summarizes the status of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench from Oak Ridge National Laboratory (ORNL) and the integration of the MOOSE framework. This report marks the completion of NEAMS milestone M3MS-16OR0401086. This report documents the developed infrastructure to support the MOOSE framework applications, the applications’ results, visualization status, the collaboration that facilitated this progress, and future considerations.

Statistical Emulator for Expensive Classification Simulators

NASA Technical Reports Server (NTRS)

Ross, Jerret; Samareh, Jamshid A.

2016-01-01

Expensive simulators prevent any kind of meaningful analysis to be performed on the phenomena they model. To get around this problem the concept of using a statistical emulator as a surrogate representation of the simulator was introduced in the 1980's. Presently, simulators have become more and more complex and as a result running a single example on these simulators is very expensive and can take days to weeks or even months. Many new techniques have been introduced, termed criteria, which sequentially select the next best (most informative to the emulator) point that should be run on the simulator. These criteria methods allow for the creation of an emulator with only a small number of simulator runs. We follow and extend this framework to expensive classification simulators.

plasmaFoam: An OpenFOAM framework for computational plasma physics and chemistry

NASA Astrophysics Data System (ADS)

Venkattraman, Ayyaswamy; Verma, Abhishek Kumar

2016-09-01

As emphasized in the 2012 Roadmap for low temperature plasmas (LTP), scientific computing has emerged as an essential tool for the investigation and prediction of the fundamental physical and chemical processes associated with these systems. While several in-house and commercial codes exist, with each having its own advantages and disadvantages, a common framework that can be developed by researchers from all over the world will likely accelerate the impact of computational studies on advances in low-temperature plasma physics and chemistry. In this regard, we present a finite volume computational toolbox to perform high-fidelity simulations of LTP systems. This framework, primarily based on the OpenFOAM solver suite, allows us to enhance our understanding of multiscale plasma phenomenon by performing massively parallel, three-dimensional simulations on unstructured meshes using well-established high performance computing tools that are widely used in the computational fluid dynamics community. In this talk, we will present preliminary results obtained using the OpenFOAM-based solver suite with benchmark three-dimensional simulations of microplasma devices including both dielectric and plasma regions. We will also discuss the future outlook for the solver suite.

Interaction of railway vehicles with track in cross-winds

NASA Astrophysics Data System (ADS)

Xu, Y. L.; Ding, Q. S.

2006-04-01

This paper presents a framework for simulating railway vehicle and track interaction in cross-wind. Each 4-axle vehicle in a train is modeled by a 27-degree-of-freedom dynamic system. Two parallel rails of a track are modeled as two continuous beams supported by a discrete-elastic foundation of three layers with sleepers and ballasts included. The vehicle subsystem and the track subsystem are coupled through contacts between wheels and rails based on contact theory. Vertical and lateral rail irregularities simulated using an inverse Fourier transform are also taken into consideration. The simulation of steady and unsteady aerodynamic forces on a moving railway vehicle in cross-wind is then discussed in the time domain. The Hilber Hughes Taylor α-method is employed to solve the nonlinear equations of motion of coupled vehicle and track systems in cross-wind. The proposed framework is finally applied to a railway vehicle running on a straight track substructure in cross-wind. The safety and comfort performance of the moving vehicle in cross-wind are discussed. The results demonstrate that the proposed framework and the associated computer program can be used to investigate interaction problems of railway vehicles with track in cross-wind.

Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga)

NASA Astrophysics Data System (ADS)

Haigis, Volker; Belkhodja, Yacine; Coudert, François-Xavier; Vuilleumier, Rodolphe; Boutin, Anne

2014-08-01

Soft porous crystals present a challenge to molecular dynamics simulations with flexible size and shape of the simulation cell (i.e., in the NPT ensemble), since their framework responds very sensitively to small external stimuli. Hence, all interactions have to be described very accurately in order to obtain correct equilibrium structures. Here, we report a methodological study on the nanoporous metal-organic framework MIL-53(Ga), which undergoes a large-amplitude transition between a narrow- and a large-pore phase upon a change in temperature. Since this system has not been investigated by density functional theory (DFT)-based NPT simulations so far, we carefully check the convergence of the stress tensor with respect to computational parameters. Furthermore, we demonstrate the importance of dispersion interactions and test two different ways of incorporating them into the DFT framework. As a result, we propose two computational schemes which describe accurately the narrow- and the large-pore phase of the material, respectively. These schemes can be used in future work on the delicate interplay between adsorption in the nanopores and structural flexibility of the host material.

Establishing a Numerical Modeling Framework for Hydrologic Engineering Analyses of Extreme Storm Events

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

Chen, Xiaodong; Hossain, Faisal; Leung, L. Ruby

In this study a numerical modeling framework for simulating extreme storm events was established using the Weather Research and Forecasting (WRF) model. Such a framework is necessary for the derivation of engineering parameters such as probable maximum precipitation that are the cornerstone of large water management infrastructure design. Here this framework was built based on a heavy storm that occurred in Nashville (USA) in 2010, and verified using two other extreme storms. To achieve the optimal setup, several combinations of model resolutions, initial/boundary conditions (IC/BC), cloud microphysics and cumulus parameterization schemes were evaluated using multiple metrics of precipitation characteristics. Themore » evaluation suggests that WRF is most sensitive to IC/BC option. Simulation generally benefits from finer resolutions up to 5 km. At the 15km level, NCEP2 IC/BC produces better results, while NAM IC/BC performs best at the 5km level. Recommended model configuration from this study is: NAM or NCEP2 IC/BC (depending on data availability), 15km or 15km-5km nested grids, Morrison microphysics and Kain-Fritsch cumulus schemes. Validation of the optimal framework suggests that these options are good starting choices for modeling extreme events similar to the test cases. This optimal framework is proposed in response to emerging engineering demands of extreme storm events forecasting and analyses for design, operations and risk assessment of large water infrastructures.« less

Validating clustering of molecular dynamics simulations using polymer models.

PubMed

Phillips, Joshua L; Colvin, Michael E; Newsam, Shawn

2011-11-14

Molecular dynamics (MD) simulation is a powerful technique for sampling the meta-stable and transitional conformations of proteins and other biomolecules. Computational data clustering has emerged as a useful, automated technique for extracting conformational states from MD simulation data. Despite extensive application, relatively little work has been done to determine if the clustering algorithms are actually extracting useful information. A primary goal of this paper therefore is to provide such an understanding through a detailed analysis of data clustering applied to a series of increasingly complex biopolymer models. We develop a novel series of models using basic polymer theory that have intuitive, clearly-defined dynamics and exhibit the essential properties that we are seeking to identify in MD simulations of real biomolecules. We then apply spectral clustering, an algorithm particularly well-suited for clustering polymer structures, to our models and MD simulations of several intrinsically disordered proteins. Clustering results for the polymer models provide clear evidence that the meta-stable and transitional conformations are detected by the algorithm. The results for the polymer models also help guide the analysis of the disordered protein simulations by comparing and contrasting the statistical properties of the extracted clusters. We have developed a framework for validating the performance and utility of clustering algorithms for studying molecular biopolymer simulations that utilizes several analytic and dynamic polymer models which exhibit well-behaved dynamics including: meta-stable states, transition states, helical structures, and stochastic dynamics. We show that spectral clustering is robust to anomalies introduced by structural alignment and that different structural classes of intrinsically disordered proteins can be reliably discriminated from the clustering results. To our knowledge, our framework is the first to utilize model polymers to rigorously test the utility of clustering algorithms for studying biopolymers.

A graph-based computational framework for simulation and optimisation of coupled infrastructure networks

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

Jalving, Jordan; Abhyankar, Shrirang; Kim, Kibaek

Here, we present a computational framework that facilitates the construction, instantiation, and analysis of large-scale optimization and simulation applications of coupled energy networks. The framework integrates the optimization modeling package PLASMO and the simulation package DMNetwork (built around PETSc). These tools use a common graphbased abstraction that enables us to achieve compatibility between data structures and to build applications that use network models of different physical fidelity. We also describe how to embed these tools within complex computational workflows using SWIFT, which is a tool that facilitates parallel execution of multiple simulation runs and management of input and output data.more » We discuss how to use these capabilities to target coupled natural gas and electricity systems.« less

A graph-based computational framework for simulation and optimisation of coupled infrastructure networks

DOE PAGES

Jalving, Jordan; Abhyankar, Shrirang; Kim, Kibaek; ...

2017-04-24

Here, we present a computational framework that facilitates the construction, instantiation, and analysis of large-scale optimization and simulation applications of coupled energy networks. The framework integrates the optimization modeling package PLASMO and the simulation package DMNetwork (built around PETSc). These tools use a common graphbased abstraction that enables us to achieve compatibility between data structures and to build applications that use network models of different physical fidelity. We also describe how to embed these tools within complex computational workflows using SWIFT, which is a tool that facilitates parallel execution of multiple simulation runs and management of input and output data.more » We discuss how to use these capabilities to target coupled natural gas and electricity systems.« less

CyberMedVPS: visual programming for development of simulators.

PubMed

Morais, Aline M; Machado, Liliane S

2011-01-01

Computer applications based on Virtual Reality (VR) has been outstanding in training and teaching in the medical filed due to their ability to simulate realistic in which users can practice skills and decision making in different situations. But was realized in these frameworks a hard interaction of non-programmers users. Based on this problematic will be shown the CyberMedVPS, a graphical module which implement Visual Programming concepts to solve an interaction trouble. Frameworks to develop such simulators are available but their use demands knowledge of programming. Based on this problematic will be shown the CyberMedVPS, a graphical module for the CyberMed framework, which implements Visual Programming concepts to allow the development of simulators by non-programmers professionals of the medical field.

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

McCaskey, Alexander J.

There is a lack of state-of-the-art HPC simulation tools for simulating general quantum computing. Furthermore, there are no real software tools that integrate current quantum computers into existing classical HPC workflows. This product, the Quantum Virtual Machine (QVM), solves this problem by providing an extensible framework for pluggable virtual, or physical, quantum processing units (QPUs). It enables the execution of low level quantum assembly codes and returns the results of such executions.

Evaluating the Relevance, Reliability, and Applicability of CMIP5 Climate Projections for Water Resources and Environmental Planning

NASA Astrophysics Data System (ADS)

Brekke, L. D.; Scott, J.; Ferguson, I. M.; Arnold, J.; Raff, D. A.; Webb, R. S.

2012-12-01

Water managers need to understand the applicability of climate projection information available for decision-support at the scale of their applications. Applicability depends on information reliability and relevance. This need to understand applicability stems from expectations that entities rationalize adaptation investments or decisions to delay investment. It is also occurring at a time when new global climate projections are being released through the World Climate Research Programme Coupled Model Intercomparison Project phase 5 (CMIP5), which introduces new information opportunities and interpretation challenges. This project involves an interagency collaboration to evaluate the applicability of CMIP5 projections for use in water and environmental resources planning. The overarching goal is to develop and demonstrate a framework that involves dual evaluations of relevance and reliability informing an ultimate discussion and judgment of applicability, which is expected to vary with decision-making context. The framework is being developed and demonstrated within the context of reservoir systems management in California's Sacramento and San Joaquin River basins. The relevance evaluation focuses on identifying the climate variables and statistical measures relevant to long-term management questions, which may depend on satisfying multiple objectives. Past studies' results are being considered in this evaluation, along with new results from system sensitivity analyses conducted through this effort. The reliability evaluation focuses on the CMIP5 climate models' ability to simulate past conditions relative to observed references. The evaluation is being conducted across the global domain using a large menu of climate variables and statistical measures, leveraging lessons learned from similar evaluations of CMIP3 climate models. The global focus addresses a broader project goal of producing a web resource that can serve reliability information to applicability discussions around the world, with evaluation results being served through a web-portal similar to that developed by NOAA/CIRES to serve CMIP3 information on future climate extremes (http://www.esrl.noaa.gov/psd/ipcc/extremes/). The framework concludes with an applicability discussion informed by relevance and reliability results. The goal is to observe the discussion process and identify features, choice points, and challenges that might be summarized and shared with other resource management groups facing applicability questions. This presentation will discuss the project framework and preliminary results. In addition to considering CMIP5 21st century projection information, the framework is being developed to support evaluation of CMIP5 decadal predictability experiment simulations and reconcile those simulations with 21st century projections. The presentation will also discuss implications of considering the applicability of bias-corrected and downscaled information within this framework.

Numerical simulation of h-adaptive immersed boundary method for freely falling disks

NASA Astrophysics Data System (ADS)

Zhang, Pan; Xia, Zhenhua; Cai, Qingdong

2018-05-01

In this work, a freely falling disk with aspect ratio 1/10 is directly simulated by using an adaptive numerical model implemented on a parallel computation framework JASMIN. The adaptive numerical model is a combination of the h-adaptive mesh refinement technique and the implicit immersed boundary method (IBM). Our numerical results agree well with the experimental results in all of the six degrees of freedom of the disk. Furthermore, very similar vortex structures observed in the experiment were also obtained.

Evaluation of aquifer heterogeneity effects on river flow loss using a transition probability framework

USGS Publications Warehouse

Engdahl, N.B.; Vogler, E.T.; Weissmann, G.S.

2010-01-01

River-aquifer exchange is considered within a transition probability framework along the Rio Grande in Albuquerque, New Mexico, to provide a stochastic estimate of aquifer heterogeneity and river loss. Six plausible hydrofacies configurations were determined using categorized drill core and wetland survey data processed through the TPROGS geostatistical package. A base case homogeneous model was also constructed for comparison. River loss was simulated for low, moderate, and high Rio Grande stages and several different riverside drain stage configurations. Heterogeneity effects were quantified by determining the mean and variance of the K field for each realization compared to the root-mean-square (RMS) error of the observed groundwater head data. Simulation results showed that the heterogeneous models produced smaller estimates of loss than the homogeneous approximation. Differences between heterogeneous and homogeneous model results indicate that the use of a homogeneous K in a regional-scale model may result in an overestimation of loss but comparable RMS error. We find that the simulated river loss is dependent on the aquifer structure and is most sensitive to the volumetric proportion of fines within the river channel. Copyright 2010 by the American Geophysical Union.

SoMIR framework for designing high-NDBP photonic crystal waveguides.

PubMed

Mirjalili, Seyed Mohammad

2014-06-20

This work proposes a modularized framework for designing the structure of photonic crystal waveguides (PCWs) and reducing human involvement during the design process. The proposed framework consists of three main modules: parameters module, constraints module, and optimizer module. The first module is responsible for defining the structural parameters of a given PCW. The second module defines various limitations in order to achieve desirable optimum designs. The third module is the optimizer, in which a numerical optimization method is employed to perform optimization. As case studies, two new structures called Ellipse PCW (EPCW) and Hypoellipse PCW (HPCW) with different shape of holes in each row are proposed and optimized by the framework. The calculation results show that the proposed framework is able to successfully optimize the structures of the new EPCW and HPCW. In addition, the results demonstrate the applicability of the proposed framework for optimizing different PCWs. The results of the comparative study show that the optimized EPCW and HPCW provide 18% and 9% significant improvements in normalized delay-bandwidth product (NDBP), respectively, compared to the ring-shape-hole PCW, which has the highest NDBP in the literature. Finally, the simulations of pulse propagation confirm the manufacturing feasibility of both optimized structures.

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

An ice sheet model validation framework for the Greenland ice sheet

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

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.

We propose a new ice sheet model validation framework the Cryospheric Model Comparison Tool (CMCT) that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013 using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quanti- tative metricsmore » for use in evaluating the different model simulations against the observations. We find 10 that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin- and whole-ice-sheet scale metrics, the model initial condition as well as output from idealized and dynamic models all provide an equally reasonable representation of the ice sheet surface (mean elevation differences of <1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CMCT, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate predictive skill with respect to observed dynamic changes occurring on Greenland over the past few decades. An extensible design will allow for continued use of the CMCT as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation.« less

An ice sheet model validation framework for the Greenland ice sheet

DOE PAGES

Price, Stephen F.; Hoffman, Matthew J.; Bonin, Jennifer A.; ...

2017-01-17

We propose a new ice sheet model validation framework the Cryospheric Model Comparison Tool (CMCT) that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013 using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quanti- tative metricsmore » for use in evaluating the different model simulations against the observations. We find 10 that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin- and whole-ice-sheet scale metrics, the model initial condition as well as output from idealized and dynamic models all provide an equally reasonable representation of the ice sheet surface (mean elevation differences of <1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CMCT, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate predictive skill with respect to observed dynamic changes occurring on Greenland over the past few decades. An extensible design will allow for continued use of the CMCT as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation.« less

Protocols for efficient simulations of long-time protein dynamics using coarse-grained CABS model.

PubMed

Jamroz, Michal; Kolinski, Andrzej; Kmiecik, Sebastian

2014-01-01

Coarse-grained (CG) modeling is a well-acknowledged simulation approach for getting insight into long-time scale protein folding events at reasonable computational cost. Depending on the design of a CG model, the simulation protocols vary from highly case-specific-requiring user-defined assumptions about the folding scenario-to more sophisticated blind prediction methods for which only a protein sequence is required. Here we describe the framework protocol for the simulations of long-term dynamics of globular proteins, with the use of the CABS CG protein model and sequence data. The simulations can start from a random or a selected (e.g., native) structure. The described protocol has been validated using experimental data for protein folding model systems-the prediction results agreed well with the experimental results.

Validation of High-Fidelity CFD/CAA Framework for Launch Vehicle Acoustic Environment Simulation against Scale Model Test Data

NASA Technical Reports Server (NTRS)

Liever, Peter A.; West, Jeffrey S.; Harris, Robert E.

2016-01-01

A hybrid Computational Fluid Dynamics and Computational Aero-Acoustics (CFD/CAA) modeling framework has been developed for launch vehicle liftoff acoustic environment predictions. The framework couples the existing highly-scalable NASA production CFD code, Loci/CHEM, with a high-order accurate Discontinuous Galerkin solver developed in the same production framework, Loci/THRUST, to accurately resolve and propagate acoustic physics across the entire launch environment. Time-accurate, Hybrid RANS/LES CFD modeling is applied for predicting the acoustic generation physics at the plume source, and a high-order accurate unstructured mesh Discontinuous Galerkin (DG) method is employed to propagate acoustic waves away from the source across large distances using high-order accurate schemes. The DG solver is capable of solving 2nd, 3rd, and 4th order Euler solutions for non-linear, conservative acoustic field propagation. Initial application testing and validation has been carried out against high resolution acoustic data from the Ares Scale Model Acoustic Test (ASMAT) series to evaluate the capabilities and production readiness of the CFD/CAA system to resolve the observed spectrum of acoustic frequency content. This paper presents results from this validation and outlines efforts to mature and improve the computational simulation framework.

Computational discovery of metal-organic frameworks with high gas deliverable capacity

NASA Astrophysics Data System (ADS)

Bao, Yi

Metal-organic frameworks (MOFs) are a rapidly emerging class of nanoporous materials with largely tunable chemistry and diverse applications in gas storage, gas purification, catalysis, sensing and drug delivery. Efforts have been made to develop new MOFs with desirable properties both experimentally and computationally for decades. To guide experimental synthesis, we here develop a computational methodology to explore MOFs with high gas deliverable capacity. This de novo design procedure applies known chemical reactions, considers synthesizability and geometric requirements of organic linkers, and efficiently evolves a population of MOFs to optimize a desirable property. We identify 48 MOFs with higher methane deliverable capacity at 65-5.8 bar condition than the MOF-5 reference in nine networks. In a more comprehensive work, we predict two sets of MOFs with high methane deliverable capacity at a 65-5.8 bar loading-delivery condition or a 35-5.8 bar loading-delivery condition. We also optimize a set of MOFs with high methane accessible internal surface area to investigate the relationship between deliverable capacities and internal surface area. This methodology can be extended to MOFs with multiple types of linkers and multiple SBUs. Flexibile MOFs may allow for sophisticated heat management strategies and also provide higher gas deliverable capacity than rigid frameworks. We investigate flexible MOFs, such as MIL-53 families, and Fe(bdp) and Co(bdp) analogs, to understand the structural phase transition of frameworks and the resulting influence on heat of adsorption. Challenges of simulating a system with a flexible host structure and incoming guest molecules are discussed. Preliminary results from isotherm simulation using the hybrid MC/MD simulation scheme on MIL-53(Cr) are presented. Suggestions for proceeding to understand the free energy profile of flexible MOFs are provided.

Abiotic/biotic coupling in the rhizosphere: a reactive transport modeling analysis

USGS Publications Warehouse

Lawrence, Corey R.; Steefel, Carl; Maher, Kate

2014-01-01

A new generation of models is needed to adequately simulate patterns of soil biogeochemical cycling in response changing global environmental drivers. For example, predicting the influence of climate change on soil organic matter storage and stability requires models capable of addressing complex biotic/abiotic interactions of rhizosphere and weathering processes. Reactive transport modeling provides a powerful framework simulating these interactions and the resulting influence on soil physical and chemical characteristics. Incorporation of organic reactions in an existing reactive transport model framework has yielded novel insights into soil weathering and development but much more work is required to adequately capture root and microbial dynamics in the rhizosphere. This endeavor provides many advantages over traditional soil biogeochemical models but also many challenges.

A modelling framework for mitigating customers' waiting time at a vehicle inspection centre

NASA Astrophysics Data System (ADS)

Ahmad, Norazura; Abidin, Norhaslinda Zainal; Ilyas, Khibtiyah; Abduljabbar, Waleed Khalid

2017-11-01

In Malaysia, an agency that is entrusted by the Government to perform mandatory vehicle inspection for public, commercial and private vehicles, receive many customers daily. Often complaints of problems received from the customers are associated with waiting time that leads to lost of business and dissatisfied customers. To address this issue, we propose a framework for modelling a vehicle inspection system using an integration of simulation and optimization approaches. The strengths of simulation and optimization are reviewed briefly that is hoped to reveal the synergy between the established methods in determining an appropriate customer's waiting time for inspection at a vehicle inspection centre. Relevant concepts and preliminary results are also presented and discussed in this paper.

CCSI and the role of advanced computing in accelerating the commercial deployment of carbon capture systems

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

Miller, David; Agarwal, Deborah A.; Sun, Xin

2011-09-01

The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.

CCSI and the role of advanced computing in accelerating the commercial deployment of carbon capture systems

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

Miller, D.; Agarwal, D.; Sun, X.

2011-01-01

The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.

Hierarchical Boltzmann simulations and model error estimation

NASA Astrophysics Data System (ADS)

Torrilhon, Manuel; Sarna, Neeraj

2017-08-01

A hierarchical simulation approach for Boltzmann's equation should provide a single numerical framework in which a coarse representation can be used to compute gas flows as accurately and efficiently as in computational fluid dynamics, but a subsequent refinement allows to successively improve the result to the complete Boltzmann result. We use Hermite discretization, or moment equations, for the steady linearized Boltzmann equation for a proof-of-concept of such a framework. All representations of the hierarchy are rotationally invariant and the numerical method is formulated on fully unstructured triangular and quadrilateral meshes using a implicit discontinuous Galerkin formulation. We demonstrate the performance of the numerical method on model problems which in particular highlights the relevance of stability of boundary conditions on curved domains. The hierarchical nature of the method allows also to provide model error estimates by comparing subsequent representations. We present various model errors for a flow through a curved channel with obstacles.

Feasibility studies of time-like proton electromagnetic form factors at $$\\overline{\\rm P}$$ANDA at FAIR

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

Singh, B.; Erni, W.; Krusche, B.

Simulation results for future measurements of electromagnetic proton form factors atmore » $$\\overline{\\rm P}$$ANDA (FAIR) within the PandaRoot software framework are reported. The statistical precision with which the proton form factors can be determined is estimated. The signal channel p¯p → e +e – is studied on the basis of two different but consistent procedures. The suppression of the main background channel, i.e. p¯p → π +π –, is studied. Furthermore, the background versus signal efficiency, statistical and systematical uncertainties on the extracted proton form factors are evaluated using two different procedures. The results are consistent with those of a previous simulation study using an older, simplified framework. Furthermore, a slightly better precision is achieved in the PandaRoot study in a large range of momentum transfer, assuming the nominal beam conditions and detector performance.« less

Feasibility studies of time-like proton electromagnetic form factors at $$\\overline{\\rm P}$$ANDA at FAIR

DOE PAGES

Singh, B.; Erni, W.; Krusche, B.; ...

2016-10-28

Simulation results for future measurements of electromagnetic proton form factors atmore » $$\\overline{\\rm P}$$ANDA (FAIR) within the PandaRoot software framework are reported. The statistical precision with which the proton form factors can be determined is estimated. The signal channel p¯p → e +e – is studied on the basis of two different but consistent procedures. The suppression of the main background channel, i.e. p¯p → π +π –, is studied. Furthermore, the background versus signal efficiency, statistical and systematical uncertainties on the extracted proton form factors are evaluated using two different procedures. The results are consistent with those of a previous simulation study using an older, simplified framework. Furthermore, a slightly better precision is achieved in the PandaRoot study in a large range of momentum transfer, assuming the nominal beam conditions and detector performance.« less

A Framework for Determining the Return on Investment of Simulation-Based Training in Health Care

PubMed Central

Bukhari, Hatim; Andreatta, Pamela; Goldiez, Brian; Rabelo, Luis

2017-01-01

This article describes a framework that has been developed to monetize the real value of simulation-based training in health care. A significant consideration has been given to the incorporation of the intangible and qualitative benefits, not only the tangible and quantitative benefits of simulation-based training in health care. The framework builds from three works: the value measurement methodology (VMM) used by several departments of the US Government, a methodology documented in several books by Dr Jack Phillips to monetize various training approaches, and a traditional return on investment methodology put forth by Frost and Sullivan, and Immersion Medical. All 3 source materials were adapted to create an integrated methodology that can be readily implemented. This article presents details on each of these methods and how they can be integrated and presents a framework that integrates the previous methods. In addition to that, it describes the concept and the application of the developed framework. As a test of the applicability of the framework, a real case study has been used to demonstrate the application of the framework. This case study provides real data related to the correlation between the pediatric patient cardiopulmonary arrest (CPA) survival rates and a simulation-based mock codes at the University of Michigan tertiary care academic medical center. It is important to point out that the proposed framework offers the capability to consider a wide range of benefits and values, but on the other hand, there are several limitations that has been discussed and need to be taken in consideration. PMID:28133988

A Framework for Determining the Return on Investment of Simulation-Based Training in Health Care.

PubMed

Bukhari, Hatim; Andreatta, Pamela; Goldiez, Brian; Rabelo, Luis

2017-01-01

This article describes a framework that has been developed to monetize the real value of simulation-based training in health care. A significant consideration has been given to the incorporation of the intangible and qualitative benefits, not only the tangible and quantitative benefits of simulation-based training in health care. The framework builds from three works: the value measurement methodology (VMM) used by several departments of the US Government, a methodology documented in several books by Dr Jack Phillips to monetize various training approaches, and a traditional return on investment methodology put forth by Frost and Sullivan, and Immersion Medical. All 3 source materials were adapted to create an integrated methodology that can be readily implemented. This article presents details on each of these methods and how they can be integrated and presents a framework that integrates the previous methods. In addition to that, it describes the concept and the application of the developed framework. As a test of the applicability of the framework, a real case study has been used to demonstrate the application of the framework. This case study provides real data related to the correlation between the pediatric patient cardiopulmonary arrest (CPA) survival rates and a simulation-based mock codes at the University of Michigan tertiary care academic medical center. It is important to point out that the proposed framework offers the capability to consider a wide range of benefits and values, but on the other hand, there are several limitations that has been discussed and need to be taken in consideration.

A multiscale modeling framework model (superparameterized CAM5) with a higher-order turbulence closure: Model description and low-cloud simulations

DOE PAGES

Wang, Minghuai; Larson, Vincent E.; Ghan, Steven; ...

2015-04-18

In this study, a higher-order turbulence closure scheme, called Cloud Layers Unified by Binormals (CLUBB), is implemented into a Multi-scale Modeling Framework (MMF) model to improve low cloud simulations. The performance of CLUBB in MMF simulations with two different microphysics configurations (one-moment cloud microphysics without aerosol treatment and two-moment cloud microphysics coupled with aerosol treatment) is evaluated against observations and further compared with results from the Community Atmosphere Model, Version 5 (CAM5) with conventional cloud parameterizations. CLUBB is found to improve low cloud simulations in the MMF, and the improvement is particularly evident in the stratocumulus-to-cumulus transition regions. Compared tomore » the single-moment cloud microphysics, CLUBB with two-moment microphysics produces clouds that are closer to the coast, and agrees better with observations. In the stratocumulus-to cumulus transition regions, CLUBB with two-moment cloud microphysics produces shortwave cloud forcing in better agreement with observations, while CLUBB with single moment cloud microphysics overestimates shortwave cloud forcing. CLUBB is further found to produce quantitatively similar improvements in the MMF and CAM5, with slightly better performance in the MMF simulations (e.g., MMF with CLUBB generally produces low clouds that are closer to the coast than CAM5 with CLUBB). As a result, improved low cloud simulations in MMF make it an even more attractive tool for studying aerosol-cloud-precipitation interactions.« less

Virtual machine-based simulation platform for mobile ad-hoc network-based cyber infrastructure

DOE PAGES

Yoginath, Srikanth B.; Perumalla, Kayla S.; Henz, Brian J.

2015-09-29

In modeling and simulating complex systems such as mobile ad-hoc networks (MANETs) in de-fense communications, it is a major challenge to reconcile multiple important considerations: the rapidity of unavoidable changes to the software (network layers and applications), the difficulty of modeling the critical, implementation-dependent behavioral effects, the need to sustain larger scale scenarios, and the desire for faster simulations. Here we present our approach in success-fully reconciling them using a virtual time-synchronized virtual machine(VM)-based parallel ex-ecution framework that accurately lifts both the devices as well as the network communications to a virtual time plane while retaining full fidelity. At themore » core of our framework is a scheduling engine that operates at the level of a hypervisor scheduler, offering a unique ability to execute multi-core guest nodes over multi-core host nodes in an accurate, virtual time-synchronized manner. In contrast to other related approaches that suffer from either speed or accuracy issues, our framework provides MANET node-wise scalability, high fidelity of software behaviors, and time-ordering accuracy. The design and development of this framework is presented, and an ac-tual implementation based on the widely used Xen hypervisor system is described. Benchmarks with synthetic and actual applications are used to identify the benefits of our approach. The time inaccuracy of traditional emulation methods is demonstrated, in comparison with the accurate execution of our framework verified by theoretically correct results expected from analytical models of the same scenarios. In the largest high fidelity tests, we are able to perform virtual time-synchronized simulation of 64-node VM-based full-stack, actual software behaviors of MANETs containing a mix of static and mobile (unmanned airborne vehicle) nodes, hosted on a 32-core host, with full fidelity of unmodified ad-hoc routing protocols, unmodified application executables, and user-controllable physical layer effects including inter-device wireless signal strength, reachability, and connectivity.« less

Virtual machine-based simulation platform for mobile ad-hoc network-based cyber infrastructure

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

Yoginath, Srikanth B.; Perumalla, Kayla S.; Henz, Brian J.

In modeling and simulating complex systems such as mobile ad-hoc networks (MANETs) in de-fense communications, it is a major challenge to reconcile multiple important considerations: the rapidity of unavoidable changes to the software (network layers and applications), the difficulty of modeling the critical, implementation-dependent behavioral effects, the need to sustain larger scale scenarios, and the desire for faster simulations. Here we present our approach in success-fully reconciling them using a virtual time-synchronized virtual machine(VM)-based parallel ex-ecution framework that accurately lifts both the devices as well as the network communications to a virtual time plane while retaining full fidelity. At themore » core of our framework is a scheduling engine that operates at the level of a hypervisor scheduler, offering a unique ability to execute multi-core guest nodes over multi-core host nodes in an accurate, virtual time-synchronized manner. In contrast to other related approaches that suffer from either speed or accuracy issues, our framework provides MANET node-wise scalability, high fidelity of software behaviors, and time-ordering accuracy. The design and development of this framework is presented, and an ac-tual implementation based on the widely used Xen hypervisor system is described. Benchmarks with synthetic and actual applications are used to identify the benefits of our approach. The time inaccuracy of traditional emulation methods is demonstrated, in comparison with the accurate execution of our framework verified by theoretically correct results expected from analytical models of the same scenarios. In the largest high fidelity tests, we are able to perform virtual time-synchronized simulation of 64-node VM-based full-stack, actual software behaviors of MANETs containing a mix of static and mobile (unmanned airborne vehicle) nodes, hosted on a 32-core host, with full fidelity of unmodified ad-hoc routing protocols, unmodified application executables, and user-controllable physical layer effects including inter-device wireless signal strength, reachability, and connectivity.« less

SPOKES: An end-to-end simulation facility for spectroscopic cosmological surveys

DOE PAGES

Nord, B.; Amara, A.; Refregier, A.; ...

2016-03-03

The nature of dark matter, dark energy and large-scale gravity pose some of the most pressing questions in cosmology today. These fundamental questions require highly precise measurements, and a number of wide-field spectroscopic survey instruments are being designed to meet this requirement. A key component in these experiments is the development of a simulation tool to forecast science performance, define requirement flow-downs, optimize implementation, demonstrate feasibility, and prepare for exploitation. We present SPOKES (SPectrOscopic KEn Simulation), an end-to-end simulation facility for spectroscopic cosmological surveys designed to address this challenge. SPOKES is based on an integrated infrastructure, modular function organization, coherentmore » data handling and fast data access. These key features allow reproducibility of pipeline runs, enable ease of use and provide flexibility to update functions within the pipeline. The cyclic nature of the pipeline offers the possibility to make the science output an efficient measure for design optimization and feasibility testing. We present the architecture, first science, and computational performance results of the simulation pipeline. The framework is general, but for the benchmark tests, we use the Dark Energy Spectrometer (DESpec), one of the early concepts for the upcoming project, the Dark Energy Spectroscopic Instrument (DESI). As a result, we discuss how the SPOKES framework enables a rigorous process to optimize and exploit spectroscopic survey experiments in order to derive high-precision cosmological measurements optimally.« less

Design of an immersive simulator for assisted power wheelchair driving.

PubMed

Devigne, Louise; Babel, Marie; Nouviale, Florian; Narayanan, Vishnu K; Pasteau, Francois; Gallien, Philippe

2017-07-01

Driving a power wheelchair is a difficult and complex visual-cognitive task. As a result, some people with visual and/or cognitive disabilities cannot access the benefits of a power wheelchair because their impairments prevent them from driving safely. In order to improve their access to mobility, we have previously designed a semi-autonomous assistive wheelchair system which progressively corrects the trajectory as the user manually drives the wheelchair and smoothly avoids obstacles. Developing and testing such systems for wheelchair driving assistance requires a significant amount of material resources and clinician time. With Virtual Reality technology, prototypes can be developed and tested in a risk-free and highly flexible Virtual Environment before equipping and testing a physical prototype. Additionally, users can "virtually" test and train more easily during the development process. In this paper, we introduce a power wheelchair driving simulator allowing the user to navigate with a standard wheelchair in an immersive 3D Virtual Environment. The simulation framework is designed to be flexible so that we can use different control inputs. In order to validate the framework, we first performed tests on the simulator with able-bodied participants during which the user's Quality of Experience (QoE) was assessed through a set of questionnaires. Results show that the simulator is a promising tool for future works as it generates a good sense of presence and requires rather low cognitive effort from users.

Parallelizing Timed Petri Net simulations

NASA Technical Reports Server (NTRS)

Nicol, David M.

1993-01-01

The possibility of using parallel processing to accelerate the simulation of Timed Petri Nets (TPN's) was studied. It was recognized that complex system development tools often transform system descriptions into TPN's or TPN-like models, which are then simulated to obtain information about system behavior. Viewed this way, it was important that the parallelization of TPN's be as automatic as possible, to admit the possibility of the parallelization being embedded in the system design tool. Later years of the grant were devoted to examining the problem of joint performance and reliability analysis, to explore whether both types of analysis could be accomplished within a single framework. In this final report, the results of our studies are summarized. We believe that the problem of parallelizing TPN's automatically for MIMD architectures has been almost completely solved for a large and important class of problems. Our initial investigations into joint performance/reliability analysis are two-fold; it was shown that Monte Carlo simulation, with importance sampling, offers promise of joint analysis in the context of a single tool, and methods for the parallel simulation of general Continuous Time Markov Chains, a model framework within which joint performance/reliability models can be cast, were developed. However, very much more work is needed to determine the scope and generality of these approaches. The results obtained in our two studies, future directions for this type of work, and a list of publications are included.

Optimally analyzing and implementing of bolt fittings in steel structure based on ANSYS

NASA Astrophysics Data System (ADS)

Han, Na; Song, Shuangyang; Cui, Yan; Wu, Yongchun

2018-03-01

ANSYS simulation software for its excellent performance become outstanding one in Computer-aided Engineering (CAE) family, it is committed to the innovation of engineering simulation to help users to shorten the design process. First, a typical procedure to implement CAE was design. The framework of structural numerical analysis on ANSYS Technology was proposed. Then, A optimally analyzing and implementing of bolt fittings in beam-column join of steel structure was implemented by ANSYS, which was display the cloud chart of XY-shear stress, the cloud chart of YZ-shear stress and the cloud chart of Y component of stress. Finally, ANSYS software simulating results was compared with the measured results by the experiment. The result of ANSYS simulating and analyzing is reliable, efficient and optical. In above process, a structural performance's numerical simulating and analyzing model were explored for engineering enterprises' practice.

Optimizing isotope substitution in graphene for thermal conductivity minimization by genetic algorithm driven molecular simulations

NASA Astrophysics Data System (ADS)

Davies, Michael; Ganapathysubramanian, Baskar; Balasubramanian, Ganesh

2017-03-01

We present results from a computational framework integrating genetic algorithm and molecular dynamics simulations to systematically design isotope engineered graphene structures for reduced thermal conductivity. In addition to the effect of mass disorder, our results reveal the importance of atomic distribution on thermal conductivity for the same isotopic concentration. Distinct groups of isotope-substituted graphene sheets are identified based on the atomic composition and distribution. Our results show that in structures with equiatomic compositions, the enhanced scattering by lattice vibrations results in lower thermal conductivities due to the absence of isotopic clusters.

Simulated transient thermal infrared emissions of forest canopies during rainfall events

NASA Astrophysics Data System (ADS)

Ballard, Jerrell R.; Hawkins, William R.; Howington, Stacy E.; Kala, Raju V.

2017-05-01

We describe the development of a centimeter-scale resolution simulation framework for a theoretical tree canopy that includes rainfall deposition, evaporation, and thermal infrared emittance. Rainfall is simulated as discrete raindrops with specified rate. The individual droplets will either fall through the canopy and intersect the ground; adhere to a leaf; bounce or shatter on impact with a leaf resulting in smaller droplets that are propagated through the canopy. Surface physical temperatures are individually determined by surface water evaporation, spatially varying within canopy wind velocities, solar radiation, and water vapor pressure. Results are validated by theoretical canopy gap and gross rainfall interception models.

Comparison between phase field simulations and experimental data from intragranular bubble growth in UO{sub 2}

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

Tonks, M. R.; Biner, S. B.; Mille, P. C.

2013-07-01

In this work, we used the phase field method to simulate the post-irradiation annealing of UO{sub 2} described in the experimental work by Kashibe et al., 1993 [1]. The simulations were carried out in 2D and 3D using the MARMOT FEM-based phase-field modeling framework. The 2-D results compared fairly well with the experiments, in spite of the assumptions made in the model. The 3-D results compare even more favorably to experiments, indicating that diffusion in all three directions must be considered to accurate represent the bubble growth. (authors)

Instantons in Quantum Annealing: Thermally Assisted Tunneling Vs Quantum Monte Carlo Simulations

NASA Technical Reports Server (NTRS)

Jiang, Zhang; Smelyanskiy, Vadim N.; Boixo, Sergio; Isakov, Sergei V.; Neven, Hartmut; Mazzola, Guglielmo; Troyer, Matthias

2015-01-01

Recent numerical result (arXiv:1512.02206) from Google suggested that the D-Wave quantum annealer may have an asymptotic speed-up than simulated annealing, however, the asymptotic advantage disappears when it is compared to quantum Monte Carlo (a classical algorithm despite its name). We show analytically that the asymptotic scaling of quantum tunneling is exactly the same as the escape rate in quantum Monte Carlo for a class of problems. Thus, the Google result might be explained in our framework. We also found that the transition state in quantum Monte Carlo corresponds to the instanton solution in quantum tunneling problems, which is observed in numerical simulations.

A generic framework for individual-based modelling and physical-biological interaction

PubMed Central

2018-01-01

The increased availability of high-resolution ocean data globally has enabled more detailed analyses of physical-biological interactions and their consequences to the ecosystem. We present IBMlib, which is a versatile, portable and computationally effective framework for conducting Lagrangian simulations in the marine environment. The purpose of the framework is to handle complex individual-level biological models of organisms, combined with realistic 3D oceanographic model of physics and biogeochemistry describing the environment of the organisms without assumptions about spatial or temporal scales. The open-source framework features a minimal robust interface to facilitate the coupling between individual-level biological models and oceanographic models, and we provide application examples including forward/backward simulations, habitat connectivity calculations, assessing ocean conditions, comparison of physical circulation models, model ensemble runs and recently posterior Eulerian simulations using the IBMlib framework. We present the code design ideas behind the longevity of the code, our implementation experiences, as well as code performance benchmarking. The framework may contribute substantially to progresses in representing, understanding, predicting and eventually managing marine ecosystems. PMID:29351280

Role of framework mutations and antibody flexibility in the evolution of broadly neutralizing antibodies

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

Ovchinnikov, Victor; Louveau, Joy E.; Barton, John P.

Eliciting antibodies that are cross reactive with surface proteins of diverse strains of highly mutable pathogens (e.g., HIV, influenza) could be key for developing effective universal vaccines. Mutations in the framework regions of such broadly neutralizing antibodies (bnAbs) have been reported to play a role in determining their properties. We used molecular dynamics simulations and models of affinity maturation to study specific bnAbs against HIV. Our results suggest that there are different classes of evolutionary lineages for the bnAbs. If germline B cells that initiate affinity maturation have high affinity for the conserved residues of the targeted epitope, framework mutationsmore » increase antibody rigidity as affinity maturation progresses to evolve bnAbs. If the germline B cells exhibit weak/moderate affinity for conserved residues, an initial increase in flexibility via framework mutations may be required for the evolution of bnAbs. Subsequent mutations that increase rigidity result in highly potent bnAbs. Implications of our results for immunogen design are discussed.« less

Role of framework mutations and antibody flexibility in the evolution of broadly neutralizing antibodies

DOE PAGES

Ovchinnikov, Victor; Louveau, Joy E.; Barton, John P.; ...

2018-02-14

Eliciting antibodies that are cross reactive with surface proteins of diverse strains of highly mutable pathogens (e.g., HIV, influenza) could be key for developing effective universal vaccines. Mutations in the framework regions of such broadly neutralizing antibodies (bnAbs) have been reported to play a role in determining their properties. We used molecular dynamics simulations and models of affinity maturation to study specific bnAbs against HIV. Our results suggest that there are different classes of evolutionary lineages for the bnAbs. If germline B cells that initiate affinity maturation have high affinity for the conserved residues of the targeted epitope, framework mutationsmore » increase antibody rigidity as affinity maturation progresses to evolve bnAbs. If the germline B cells exhibit weak/moderate affinity for conserved residues, an initial increase in flexibility via framework mutations may be required for the evolution of bnAbs. Subsequent mutations that increase rigidity result in highly potent bnAbs. Implications of our results for immunogen design are discussed.« less

Role of framework mutations and antibody flexibility in the evolution of broadly neutralizing antibodies

PubMed Central

2018-01-01

Eliciting antibodies that are cross reactive with surface proteins of diverse strains of highly mutable pathogens (e.g., HIV, influenza) could be key for developing effective universal vaccines. Mutations in the framework regions of such broadly neutralizing antibodies (bnAbs) have been reported to play a role in determining their properties. We used molecular dynamics simulations and models of affinity maturation to study specific bnAbs against HIV. Our results suggest that there are different classes of evolutionary lineages for the bnAbs. If germline B cells that initiate affinity maturation have high affinity for the conserved residues of the targeted epitope, framework mutations increase antibody rigidity as affinity maturation progresses to evolve bnAbs. If the germline B cells exhibit weak/moderate affinity for conserved residues, an initial increase in flexibility via framework mutations may be required for the evolution of bnAbs. Subsequent mutations that increase rigidity result in highly potent bnAbs. Implications of our results for immunogen design are discussed. PMID:29442996

A Component-Based Extension Framework for Large-Scale Parallel Simulations in NEURON

PubMed Central

King, James G.; Hines, Michael; Hill, Sean; Goodman, Philip H.; Markram, Henry; Schürmann, Felix

2008-01-01

As neuronal simulations approach larger scales with increasing levels of detail, the neurosimulator software represents only a part of a chain of tools ranging from setup, simulation, interaction with virtual environments to analysis and visualizations. Previously published approaches to abstracting simulator engines have not received wide-spread acceptance, which in part may be to the fact that they tried to address the challenge of solving the model specification problem. Here, we present an approach that uses a neurosimulator, in this case NEURON, to describe and instantiate the network model in the simulator's native model language but then replaces the main integration loop with its own. Existing parallel network models are easily adopted to run in the presented framework. The presented approach is thus an extension to NEURON but uses a component-based architecture to allow for replaceable spike exchange components and pluggable components for monitoring, analysis, or control that can run in this framework alongside with the simulation. PMID:19430597

Toward a first-principles integrated simulation of tokamak edge plasmas

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

Chang, C S; Klasky, Scott A; Cummings, Julian

2008-01-01

Performance of the ITER is anticipated to be highly sensitive to the edge plasma condition. The edge pedestal in ITER needs to be predicted from an integrated simulation of the necessary firstprinciples, multi-scale physics codes. The mission of the SciDAC Fusion Simulation Project (FSP) Prototype Center for Plasma Edge Simulation (CPES) is to deliver such a code integration framework by (1) building new kinetic codes XGC0 and XGC1, which can simulate the edge pedestal buildup; (2) using and improving the existing MHD codes ELITE, M3D-OMP, M3D-MPP and NIMROD, for study of large-scale edge instabilities called Edge Localized Modes (ELMs); andmore » (3) integrating the codes into a framework using cutting-edge computer science technology. Collaborative effort among physics, computer science, and applied mathematics within CPES has created the first working version of the End-to-end Framework for Fusion Integrated Simulation (EFFIS), which can be used to study the pedestal-ELM cycles.« less

Genomic data assimilation for estimating hybrid functional Petri net from time-course gene expression data.

PubMed

Nagasaki, Masao; Yamaguchi, Rui; Yoshida, Ryo; Imoto, Seiya; Doi, Atsushi; Tamada, Yoshinori; Matsuno, Hiroshi; Miyano, Satoru; Higuchi, Tomoyuki

2006-01-01

We propose an automatic construction method of the hybrid functional Petri net as a simulation model of biological pathways. The problems we consider are how we choose the values of parameters and how we set the network structure. Usually, we tune these unknown factors empirically so that the simulation results are consistent with biological knowledge. Obviously, this approach has the limitation in the size of network of interest. To extend the capability of the simulation model, we propose the use of data assimilation approach that was originally established in the field of geophysical simulation science. We provide genomic data assimilation framework that establishes a link between our simulation model and observed data like microarray gene expression data by using a nonlinear state space model. A key idea of our genomic data assimilation is that the unknown parameters in simulation model are converted as the parameter of the state space model and the estimates are obtained as the maximum a posteriori estimators. In the parameter estimation process, the simulation model is used to generate the system model in the state space model. Such a formulation enables us to handle both the model construction and the parameter tuning within a framework of the Bayesian statistical inferences. In particular, the Bayesian approach provides us a way of controlling overfitting during the parameter estimations that is essential for constructing a reliable biological pathway. We demonstrate the effectiveness of our approach using synthetic data. As a result, parameter estimation using genomic data assimilation works very well and the network structure is suitably selected.

Multi-Dielectric Brownian Dynamics and Design-Space-Exploration Studies of Permeation in Ion Channels.

PubMed

Siksik, May; Krishnamurthy, Vikram

2017-09-01

This paper proposes a multi-dielectric Brownian dynamics simulation framework for design-space-exploration (DSE) studies of ion-channel permeation. The goal of such DSE studies is to estimate the channel modeling-parameters that minimize the mean-squared error between the simulated and expected "permeation characteristics." To address this computational challenge, we use a methodology based on statistical inference that utilizes the knowledge of channel structure to prune the design space. We demonstrate the proposed framework and DSE methodology using a case study based on the KcsA ion channel, in which the design space is successfully reduced from a 6-D space to a 2-D space. Our results show that the channel dielectric map computed using the framework matches with that computed directly using molecular dynamics with an error of 7%. Finally, the scalability and resolution of the model used are explored, and it is shown that the memory requirements needed for DSE remain constant as the number of parameters (degree of heterogeneity) increases.

A Systems Biology Framework for Modeling Metabolic Enzyme Inhibition of Mycobacterium Tuberculosis

DTIC Science & Technology

2009-09-15

Quadri LE: Assembly of aryl-capped siderophores by modular peptide synthetases and polyketide synthases . Mol Microbiol 2000, 37:1-12. 51. Chou CJ...opportunities for therapeutic intervention. Results: We developed a mathematical framework to simulate the effects on the growth of a pathogen when enzymes in... on the growth of M. tuberculosis in a medium whose carbon source was restricted to fatty acids, and that of the 5’-O-(N-salicylsulfamoyl) adenosine

A Fuzzy Logic Optimal Control Law Solution to the CMMCA Tracking Problem

DTIC Science & Technology

1993-03-01

or from a transfer function. Many times, however, the resulting algorithms are so complex as to be completely or essentially useless. Applications...implemented in a nearly real time computer simulation. Located within the LQ framework are all the performance data for both the ClMCA and the CX...repuired nor desired. 34 - / k more general and less exacting framework was used. In order to concentrate on tho theory and problem solution, it was

Multi-Sensor Fusion of Infrared and Electro-Optic Signals for High Resolution Night Images

PubMed Central

Huang, Xiaopeng; Netravali, Ravi; Man, Hong; Lawrence, Victor

2012-01-01

Electro-optic (EO) image sensors exhibit the properties of high resolution and low noise level at daytime, but they do not work in dark environments. Infrared (IR) image sensors exhibit poor resolution and cannot separate objects with similar temperature. Therefore, we propose a novel framework of IR image enhancement based on the information (e.g., edge) from EO images, which improves the resolution of IR images and helps us distinguish objects at night. Our framework superimposing/blending the edges of the EO image onto the corresponding transformed IR image improves their resolution. In this framework, we adopt the theoretical point spread function (PSF) proposed by Hardie et al. for the IR image, which has the modulation transfer function (MTF) of a uniform detector array and the incoherent optical transfer function (OTF) of diffraction-limited optics. In addition, we design an inverse filter for the proposed PSF and use it for the IR image transformation. The framework requires four main steps: (1) inverse filter-based IR image transformation; (2) EO image edge detection; (3) registration; and (4) blending/superimposing of the obtained image pair. Simulation results show both blended and superimposed IR images, and demonstrate that blended IR images have better quality over the superimposed images. Additionally, based on the same steps, simulation result shows a blended IR image of better quality when only the original IR image is available. PMID:23112602

Multi-sensor fusion of infrared and electro-optic signals for high resolution night images.

PubMed

Huang, Xiaopeng; Netravali, Ravi; Man, Hong; Lawrence, Victor

2012-01-01

Electro-optic (EO) image sensors exhibit the properties of high resolution and low noise level at daytime, but they do not work in dark environments. Infrared (IR) image sensors exhibit poor resolution and cannot separate objects with similar temperature. Therefore, we propose a novel framework of IR image enhancement based on the information (e.g., edge) from EO images, which improves the resolution of IR images and helps us distinguish objects at night. Our framework superimposing/blending the edges of the EO image onto the corresponding transformed IR image improves their resolution. In this framework, we adopt the theoretical point spread function (PSF) proposed by Hardie et al. for the IR image, which has the modulation transfer function (MTF) of a uniform detector array and the incoherent optical transfer function (OTF) of diffraction-limited optics. In addition, we design an inverse filter for the proposed PSF and use it for the IR image transformation. The framework requires four main steps: (1) inverse filter-based IR image transformation; (2) EO image edge detection; (3) registration; and (4) blending/superimposing of the obtained image pair. Simulation results show both blended and superimposed IR images, and demonstrate that blended IR images have better quality over the superimposed images. Additionally, based on the same steps, simulation result shows a blended IR image of better quality when only the original IR image is available.

A Modeling and Simulation Framework for Adverse Events in Erlotinib-Treated Non-Small-Cell Lung Cancer Patients.

PubMed

Suleiman, Ahmed Abbas; Frechen, Sebastian; Scheffler, Matthias; Zander, Thomas; Nogova, Lucia; Kocher, Martin; Jaehde, Ulrich; Wolf, Jürgen; Fuhr, Uwe

2015-11-01

Treatment with erlotinib, an epidermal growth factor receptor tyrosine kinase inhibitor used for treating non-small-cell lung cancer (NSCLC) and other cancers, is frequently associated with adverse events (AE). We present a modeling and simulation framework for the most common erlotinib-induced AE, rash, and diarrhea, providing insights into erlotinib toxicity. We used the framework to investigate the safety of high-dose erlotinib pulses proposed to limit acquired resistance while treating NSCLC. Continuous-time Markov models were developed using rash and diarrhea AE data from 39 NSCLC patients treated with erlotinib (150 mg/day). Exposure and different covariates were investigated as predictors of variability. Rash was also tested as a survival predictor. Models developed were used in a simulation analysis to compare the toxicities of different regimens, including the previously mentioned pulsed strategy. Probabilities of experiencing rash or diarrhea were found to be highest early during treatment. Rash, but not diarrhea, was positively correlated with erlotinib exposure. In contrast with some common understandings, radiotherapy decreased transitioning to higher rash grades by 81% (p < 0.01), and experiencing rash was not correlated with positive survival outcomes. Model simulations predicted that the proposed pulsed regimen (1600 mg/week + 50 mg/day remaining week days) results in a maximum of 20% of the patients suffering from severe rash throughout the treatment course in comparison to 12% when treated with standard dosing (150 mg/day). In conclusion, the framework demonstrated that radiotherapy attenuates erlotinib-induced rash, providing an opportunity to use radiotherapy and erlotinib together, and demonstrated the tolerability of high-dose pulses intended to address acquired resistance to erlotinib.

The Unified Behavior Framework for the Simulation of Autonomous Agents

DTIC Science & Technology

2015-03-01

1980s, researchers have designed a variety of robot control architectures intending to imbue robots with some degree of autonomy. A recently developed ...Identification Friend or Foe viii THE UNIFIED BEHAVIOR FRAMEWORK FOR THE SIMULATION OF AUTONOMOUS AGENTS I. Introduction The development of autonomy has...room for research by utilizing methods like simulation and modeling that consume less time and fewer monetary resources. A recently developed reactive

Introducing FNCS: Framework for Network Co-Simulation

ScienceCinema

None

2018-06-07

This video provides a basic overview of the PNNL Future Power Grid Initiative-developed Framework for Network Co-Simulation (FNCS). It discusses the increasing amounts of data coming from the power grid, and the need for a tool like FNCS that brings together data, transmission and distribution simulators. Included is a description of the FNCS architecture, and the advantages this new open source tool can bring to grid research and development efforts.

Introducing FNCS: Framework for Network Co-Simulation

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

None

2014-10-23

This video provides a basic overview of the PNNL Future Power Grid Initiative-developed Framework for Network Co-Simulation (FNCS). It discusses the increasing amounts of data coming from the power grid, and the need for a tool like FNCS that brings together data, transmission and distribution simulators. Included is a description of the FNCS architecture, and the advantages this new open source tool can bring to grid research and development efforts.

The Application of Modeling and Simulation in Capacity Management within the ITIL Framework

NASA Technical Reports Server (NTRS)

Rahmani, Sonya; vonderHoff, Otto

2010-01-01

Tightly integrating modeling and simulation techniques into Information Technology Infrastructure Library (ITIL) practices can be one of the driving factors behind a successful and cost-effective capacity management effort for any Information Technology (IT) system. ITIL is a best practices framework for managing IT infrastructure, development and operations. Translating ITIL theory into operational reality can be a challenge. This paper aims to highlight how to best integrate modeling and simulation into an ITIL implementation. For cases where the project team initially has difficulty gaining consensus on investing in modeling and simulation resources, a clear definition for M&S implementation into the ITIL framework, specifically its role in supporting Capacity Management, is critical to gaining the support required to garner these resources. This implementation should also help to clearly define M&S support to the overall system mission. This paper will describe the development of an integrated modeling approach and how best to tie M&S to definitive goals for evaluating system capacity and performance requirements. Specifically the paper will discuss best practices for implementing modeling and simulation into ITIL. These practices hinge on implementing integrated M&S methods that 1) encompass at least two or more predictive modeling techniques, 2) complement each one's respective strengths and weaknesses to support the validation of predicted results, and 3) are tied to the system's performance and workload monitoring efforts. How to structure two forms of modeling: statistical and simUlation in the development of "As Is" and "To Be" efforts will be used to exemplify the integrated M&S methods. The paper will show how these methods can better support the project's overall capacity management efforts.

Intercomparison of Streamflow Simulations between WRF-Hydro and Hydrology Laboratory-Research Distributed Hydrologic Model Frameworks

NASA Astrophysics Data System (ADS)

KIM, J.; Smith, M. B.; Koren, V.; Salas, F.; Cui, Z.; Johnson, D.

2017-12-01

The National Oceanic and Atmospheric Administration (NOAA)-National Weather Service (NWS) developed the Hydrology Laboratory-Research Distributed Hydrologic Model (HL-RDHM) framework as an initial step towards spatially distributed modeling at River Forecast Centers (RFCs). Recently, the NOAA/NWS worked with the National Center for Atmospheric Research (NCAR) to implement the National Water Model (NWM) for nationally-consistent water resources prediction. The NWM is based on the WRF-Hydro framework and is run at a 1km spatial resolution and 1-hour time step over the contiguous United States (CONUS) and contributing areas in Canada and Mexico. In this study, we compare streamflow simulations from HL-RDHM and WRF-Hydro to observations from 279 USGS stations. For streamflow simulations, HL-RDHM is run on 4km grids with the temporal resolution of 1 hour for a 5-year period (Water Years 2008-2012), using a priori parameters provided by NOAA-NWS. The WRF-Hydro streamflow simulations for the same time period are extracted from NCAR's 23 retrospective run of the NWM (version 1.0) over CONUS based on 1km grids. We choose 279 USGS stations which are relatively less affected by dams or reservoirs, in the domains of six different RFCs. We use the daily average values of simulations and observations for the convenience of comparison. The main purpose of this research is to evaluate how HL-RDHM and WRF-Hydro perform at USGS gauge stations. We compare daily time-series of observations and both simulations, and calculate the error values using a variety of error functions. Using these plots and error values, we evaluate the performances of HL-RDHM and WRF-Hydro models. Our results show a mix of model performance across geographic regions.

Status of the MIND simulation and analysis

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

Cervera Villanueva, A.; Martin-Albo, J.; Laing, A.

2010-03-30

A realistic simulation of the Neutrino Factory detectors is required in order to fully understand the sensitivity of such a facility to the remaining parameters and degeneracies of the neutrino mixing matrix. Here described is the status of a modular software framework being developed to accommodate such a study. The results of initial studies of the reconstruction software and expected efficiency curves in the context of the golden channel are given.

Ray tracing the Wigner distribution function for optical simulations

NASA Astrophysics Data System (ADS)

Mout, Marco; Wick, Michael; Bociort, Florian; Petschulat, Joerg; Urbach, Paul

2018-01-01

We study a simulation method that uses the Wigner distribution function to incorporate wave optical effects in an established framework based on geometrical optics, i.e., a ray tracing engine. We use the method to calculate point spread functions and show that it is accurate for paraxial systems but produces unphysical results in the presence of aberrations. The cause of these anomalies is explained using an analytical model.

Assessing uncertainties in global cropland futures using a conditional probabilistic modelling framework

NASA Astrophysics Data System (ADS)

Engström, Kerstin; Olin, Stefan; Rounsevell, Mark D. A.; Brogaard, Sara; van Vuuren, Detlef P.; Alexander, Peter; Murray-Rust, Dave; Arneth, Almut

2016-11-01

We present a modelling framework to simulate probabilistic futures of global cropland areas that are conditional on the SSP (shared socio-economic pathway) scenarios. Simulations are based on the Parsimonious Land Use Model (PLUM) linked with the global dynamic vegetation model LPJ-GUESS (Lund-Potsdam-Jena General Ecosystem Simulator) using socio-economic data from the SSPs and climate data from the RCPs (representative concentration pathways). The simulated range of global cropland is 893-2380 Mha in 2100 (± 1 standard deviation), with the main uncertainties arising from differences in the socio-economic conditions prescribed by the SSP scenarios and the assumptions that underpin the translation of qualitative SSP storylines into quantitative model input parameters. Uncertainties in the assumptions for population growth, technological change and cropland degradation were found to be the most important for global cropland, while uncertainty in food consumption had less influence on the results. The uncertainties arising from climate variability and the differences between climate change scenarios do not strongly affect the range of global cropland futures. Some overlap occurred across all of the conditional probabilistic futures, except for those based on SSP3. We conclude that completely different socio-economic and climate change futures, although sharing low to medium population development, can result in very similar cropland areas on the aggregated global scale.

Simulations and Evaluation of Mesoscale Convective Systems in a Multi-scale Modeling Framework (MMF)

NASA Astrophysics Data System (ADS)

Chern, J. D.; Tao, W. K.

2017-12-01

It is well known that the mesoscale convective systems (MCS) produce more than 50% of rainfall in most tropical regions and play important roles in regional and global water cycles. Simulation of MCSs in global and climate models is a very challenging problem. Typical MCSs have horizontal scale of a few hundred kilometers. Models with a domain of several hundred kilometers and fine enough resolution to properly simulate individual clouds are required to realistically simulate MCSs. The multiscale modeling framework (MMF), which replaces traditional cloud parameterizations with cloud-resolving models (CRMs) within a host atmospheric general circulation model (GCM), has shown some capabilities of simulating organized MCS-like storm signals and propagations. However, its embedded CRMs typically have small domain (less than 128 km) and coarse resolution ( 4 km) that cannot realistically simulate MCSs and individual clouds. In this study, a series of simulations were performed using the Goddard MMF. The impacts of the domain size and model grid resolution of the embedded CRMs on simulating MCSs are examined. The changes of cloud structure, occurrence, and properties such as cloud types, updraft and downdraft, latent heating profile, and cold pool strength in the embedded CRMs are examined in details. The simulated MCS characteristics are evaluated against satellite measurements using the Goddard Satellite Data Simulator Unit. The results indicate that embedded CRMs with large domain and fine resolution tend to produce better simulations compared to those simulations with typical MMF configuration (128 km domain size and 4 km model grid spacing).

A Non-Incompressible Non-Boussinesq (NINB) framework for studying atmospheric turbulence

NASA Astrophysics Data System (ADS)

Yan, C.; Archer, C. L.; Xie, S.; Ghaisas, N.

2015-12-01

The incompressible assumption is widely used for studying the turbulent atmospheric boundary layer (ABL) and is generally accepted when the Mach number < ~0.3 (velocity < ~100 m/s). Since the tips of modern wind turbine blades can reach and exceed this threshold, neglecting air compressibility will introduce errors. In addition, if air incompressibility does not hold, then the Boussinesq approximation, by which air density is treated as a constant except in the gravity term of the Navier-Stokes equation, is also invalidated. Here, we propose a new theoretical framework, called NINB for Non-Incompressible Non-Boussinesq, in which air is not considered incompressible and air density is treated as a non-turbulent 4D variable. First, the NINB mass, momentum, and energy conservation equations are developed using Reynolds averaging. Second, numerical simulations of the NINB equations, coupled with a k-epsilon turbulence model, are performed with the finite-volume method. Wind turbines are modeled with the actuator-line model using SOWFA (Software for Offshore/onshore Wind Farm Applications). Third, NINB results are compared with the traditional incompressible buoyant simulations performed by SOWFA with the same set up. The results show differences between NINB and traditional simulations in the neutral atmosphere with a wind turbine. The largest differences in wind speed (up to 1 m/s), turbulent kinetic energy (~10%), dissipation rate (~5%), and shear stress (~10%) occur near the turbine tip region. The power generation differences are 5-15% (depending on setup). These preliminary results suggest that compressibility effects are non-negligible around wind turbines and should be taken into account when forecasting wind power. Since only a few extra terms are introduced, the NINB framework may be an alternative to the traditional incompressible Boussinesq framework for studying the turbulent ABL in general (i.e., without turbines) in the absence of shock waves.

Simulation training: a systematic review of simulation in arthroscopy and proposal of a new competency-based training framework.

PubMed

Tay, Charison; Khajuria, Ankur; Gupte, Chinmay

2014-01-01

Traditional orthopaedic training has followed an apprenticeship model whereby trainees enhance their skills by operating under guidance. However the introduction of limitations on training hours and shorter training programmes mean that alternative training strategies are required. To perform a literature review on simulation training in arthroscopy and devise a framework that structures different simulation techniques that could be used in arthroscopic training. A systematic search of Medline, Embase, Google Scholar and the Cochrane Databases were performed. Search terms included "virtual reality OR simulator OR simulation" and "arthroscopy OR arthroscopic". 14 studies evaluating simulators in knee, shoulder and hip arthroplasty were included. The majority of the studies demonstrated construct and transference validity but only one showed concurrent validity. More studies are required to assess its potential as a training and assessment tool, skills transference between simulators and to determine the extent of skills decay from prolonged delays in training. We also devised a "ladder of arthroscopic simulation" that provides a competency-based framework to implement different simulation strategies. The incorporation of simulation into an orthopaedic curriculum will depend on a coordinated approach between many bodies. But the successful integration of simulators in other areas of surgery supports a possible role for simulation in advancing orthopaedic education. Copyright © 2014 Surgical Associates Ltd. Published by Elsevier Ltd. All rights reserved.

Investigation of soft component in cosmic ray detection

NASA Astrophysics Data System (ADS)

Oláh, László; Varga, Dezső

2017-07-01

Cosmic ray detection is a research area which finds various applications in tomographic imaging of large size objects. In such applications, the background sources which contaminate cosmic muon signal require a good understanding of the creation processes, as well as reliable simulation frameworks with high predictive power are needed. One of the main background source is the ;soft component;, that is electrons and positrons. In this paper a simulation framework based on GEANT4 has been established to pin down the key features of the soft component. We have found that the electron and positron flux shows a remarkable invariance against various model parameters including the muon emission altitude or primary particle energy distribution. The correlation between simultaneously arriving particles have been quantitatively investigated, demonstrating that electrons and positrons tend to arrive within a close distance and with low relative angle. This feature, which is highly relevant for counting detectors, has been experimentally verified under open sky and at shallow depth underground. The simulation results have been compared to existing other measurements as well as other simulation programs.

Computational modeling of pitching cylinder-type ocean wave energy converters using 3D MPI-parallel simulations

NASA Astrophysics Data System (ADS)

Freniere, Cole; Pathak, Ashish; Raessi, Mehdi

2016-11-01

Ocean Wave Energy Converters (WECs) are devices that convert energy from ocean waves into electricity. To aid in the design of WECs, an advanced computational framework has been developed which has advantages over conventional methods. The computational framework simulates the performance of WECs in a virtual wave tank by solving the full Navier-Stokes equations in 3D, capturing the fluid-structure interaction, nonlinear and viscous effects. In this work, we present simulations of the performance of pitching cylinder-type WECs and compare against experimental data. WECs are simulated at both model and full scales. The results are used to determine the role of the Keulegan-Carpenter (KC) number. The KC number is representative of viscous drag behavior on a bluff body in an oscillating flow, and is considered an important indicator of the dynamics of a WEC. Studying the effects of the KC number is important for determining the validity of the Froude scaling and the inviscid potential flow theory, which are heavily relied on in the conventional approaches to modeling WECs. Support from the National Science Foundation is gratefully acknowledged.

A framework for stochastic simulations and visualization of biological electron-transfer dynamics

NASA Astrophysics Data System (ADS)

Nakano, C. Masato; Byun, Hye Suk; Ma, Heng; Wei, Tao; El-Naggar, Mohamed Y.

2015-08-01

Electron transfer (ET) dictates a wide variety of energy-conversion processes in biological systems. Visualizing ET dynamics could provide key insight into understanding and possibly controlling these processes. We present a computational framework named VizBET to visualize biological ET dynamics, using an outer-membrane Mtr-Omc cytochrome complex in Shewanella oneidensis MR-1 as an example. Starting from X-ray crystal structures of the constituent cytochromes, molecular dynamics simulations are combined with homology modeling, protein docking, and binding free energy computations to sample the configuration of the complex as well as the change of the free energy associated with ET. This information, along with quantum-mechanical calculations of the electronic coupling, provides inputs to kinetic Monte Carlo (KMC) simulations of ET dynamics in a network of heme groups within the complex. Visualization of the KMC simulation results has been implemented as a plugin to the Visual Molecular Dynamics (VMD) software. VizBET has been used to reveal the nature of ET dynamics associated with novel nonequilibrium phase transitions in a candidate configuration of the Mtr-Omc complex due to electron-electron interactions.

A comprehensive simulation framework for imaging single particles and biomolecules at the European X-ray Free-Electron Laser

NASA Astrophysics Data System (ADS)

Yoon, Chun Hong; Yurkov, Mikhail V.; Schneidmiller, Evgeny A.; Samoylova, Liubov; Buzmakov, Alexey; Jurek, Zoltan; Ziaja, Beata; Santra, Robin; Loh, N. Duane; Tschentscher, Thomas; Mancuso, Adrian P.

2016-04-01

The advent of newer, brighter, and more coherent X-ray sources, such as X-ray Free-Electron Lasers (XFELs), represents a tremendous growth in the potential to apply coherent X-rays to determine the structure of materials from the micron-scale down to the Angstrom-scale. There is a significant need for a multi-physics simulation framework to perform source-to-detector simulations for a single particle imaging experiment, including (i) the multidimensional simulation of the X-ray source; (ii) simulation of the wave-optics propagation of the coherent XFEL beams; (iii) atomistic modelling of photon-material interactions; (iv) simulation of the time-dependent diffraction process, including incoherent scattering; (v) assembling noisy and incomplete diffraction intensities into a three-dimensional data set using the Expansion-Maximisation-Compression (EMC) algorithm and (vi) phase retrieval to obtain structural information. We demonstrate the framework by simulating a single-particle experiment for a nitrogenase iron protein using parameters of the SPB/SFX instrument of the European XFEL. This exercise demonstrably yields interpretable consequences for structure determination that are crucial yet currently unavailable for experiment design.

Precision of Fit of Titanium and Cast Implant Frameworks Using a New Matching Formula

PubMed Central

Sierraalta, Marianella; Vivas, Jose L.; Razzoog, Michael E.; Wang, Rui-Feng

2012-01-01

Statement of the Problem. Fit of prosthodontic frameworks is linked to the lifetime survival of dental implants and maintenance of surrounding bone. Purpose. The purpose of this study was to evaluate and compare the precision of fit of milled one-piece Titanium fixed complete denture frameworks to that of conventional cast frameworks. Material and Methods. Fifteen casts fabricated from a single edentulous CAD/CAM surgical guide were separated in two groups and resin patterns simulating the framework for a fixed complete denture developed. Five casts were sent to dental laboratories to invest, cast in a Palladium-Gold alloy and fit the framework. Ten casts had the resin pattern scanned for fabrication of milled bars in Titanium. Using measuring software, positions of implant replicas in the definitive model were recorded. The three dimensional spatial orientation of each implant replica was matched to the implant replica. Results. Results demonstrated the mean vertical gap of the Cast framework was 0.021 (+0.004) mm and 0.012 (0.002) mm determined by fixed and unfixed best-fit matching coordinate system. For Titanium frameworks they were 0.0037 (+0.0028) mm and 0.0024 (+0.0005) mm, respectively. Conclusions. Milled one-piece Titanium fixed complete denture frameworks provided a more accurate precision of fit then traditional cast frameworks. PMID:22550486

GiPSi:a framework for open source/open architecture software development for organ-level surgical simulation.

PubMed

Cavuşoğlu, M Cenk; Göktekin, Tolga G; Tendick, Frank

2006-04-01

This paper presents the architectural details of an evolving open source/open architecture software framework for developing organ-level surgical simulations. Our goal is to facilitate shared development of reusable models, to accommodate heterogeneous models of computation, and to provide a framework for interfacing multiple heterogeneous models. The framework provides an application programming interface for interfacing dynamic models defined over spatial domains. It is specifically designed to be independent of the specifics of the modeling methods used, and therefore facilitates seamless integration of heterogeneous models and processes. Furthermore, each model has separate geometries for visualization, simulation, and interfacing, allowing the model developer to choose the most natural geometric representation for each case. Input/output interfaces for visualization and haptics for real-time interactive applications have also been provided.

MOOSE: A parallel computational framework for coupled systems of nonlinear equations.

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

Derek Gaston; Chris Newman; Glen Hansen

Systems of coupled, nonlinear partial differential equations (PDEs) often arise in simulation of nuclear processes. MOOSE: Multiphysics Object Oriented Simulation Environment, a parallel computational framework targeted at the solution of such systems, is presented. As opposed to traditional data-flow oriented computational frameworks, MOOSE is instead founded on the mathematical principle of Jacobian-free Newton-Krylov (JFNK) solution methods. Utilizing the mathematical structure present in JFNK, physics expressions are modularized into `Kernels,'' allowing for rapid production of new simulation tools. In addition, systems are solved implicitly and fully coupled, employing physics based preconditioning, which provides great flexibility even with large variance in timemore » scales. A summary of the mathematics, an overview of the structure of MOOSE, and several representative solutions from applications built on the framework are presented.« less

Adsorption and molecular siting of CO2, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation.

PubMed

Moghadam, Peyman Z; Ivy, Joshua F; Arvapally, Ravi K; Dos Santos, Antonio M; Pearson, John C; Zhang, Li; Tylianakis, Emmanouil; Ghosh, Pritha; Oswald, Iain W H; Kaipa, Ushasree; Wang, Xiaoping; Wilson, Angela K; Snurr, Randall Q; Omary, Mohammad A

2017-05-01

FMOF-1 is a flexible, superhydrophobic metal-organic framework with a network of channels and side pockets decorated with -CF 3 groups. CO 2 adsorption isotherms measured between 278 and 313 K and up to 55 bar reveal a maximum uptake of ca. 6.16 mol kg -1 (11.0 mol L -1 ) and unusual isotherm shapes at the higher temperatures, suggesting framework expansion. We used neutron diffraction and molecular simulations to investigate the framework expansion behaviour and the accessibility of the small pockets to N 2 , O 2 , and CO 2 . Neutron diffraction in situ experiments on the crystalline powder show that CO 2 molecules are favourably adsorbed at three distinct adsorption sites in the large channels of FMOF-1 and cannot access the small pockets in FMOF-1 at 290 K and oversaturated pressure at 61 bar. Stepped adsorption isotherms for N 2 and O 2 at 77 K can be explained by combining Monte Carlo simulations in several different crystal structures of FMOF-1 obtained from neutron and X-ray diffraction under different conditions. A similar analysis is successful for CO 2 adsorption at 278 and 283 K up to ca. 30 bar; however, at 298 K and pressures above 30 bar, the results suggest even more substantial expansion of the FMOF-1 framework. The measured contact angle for water on an FMOF-1 pellet is 158°, demonstrating superhydrophobicity. Simulations and adsorption measurements also show that FMOF-1 is hydrophobic and water is not adsorbed in FMOF-1 at room temperature. Simulated mixture isotherms of CO 2 in the presence of 80% relative humidity predict that water does not influence the CO 2 adsorption in FMOF-1, suggesting that hydrophobic MOFs could hold promise for CO 2 capture from humid gas streams.

Advanced Information Technology in Simulation Based Life Cycle Design

NASA Technical Reports Server (NTRS)

Renaud, John E.

2003-01-01

In this research a Collaborative Optimization (CO) approach for multidisciplinary systems design is used to develop a decision based design framework for non-deterministic optimization. To date CO strategies have been developed for use in application to deterministic systems design problems. In this research the decision based design (DBD) framework proposed by Hazelrigg is modified for use in a collaborative optimization framework. The Hazelrigg framework as originally proposed provides a single level optimization strategy that combines engineering decisions with business decisions in a single level optimization. By transforming this framework for use in collaborative optimization one can decompose the business and engineering decision making processes. In the new multilevel framework of Decision Based Collaborative Optimization (DBCO) the business decisions are made at the system level. These business decisions result in a set of engineering performance targets that disciplinary engineering design teams seek to satisfy as part of subspace optimizations. The Decision Based Collaborative Optimization framework more accurately models the existing relationship between business and engineering in multidisciplinary systems design.

Radiatively driven stratosphere-troposphere interactions near the tops of tropical cloud clusters

NASA Technical Reports Server (NTRS)

Churchill, Dean D.; Houze, Robert A., Jr.

1990-01-01

Results are presented of two numerical simulations of the mechanism involved in the dehydration of air, using the model of Churchill (1988) and Churchill and Houze (1990) which combines the water and ice physics parameterizations and IR and solar-radiation parameterization with a convective adjustment scheme in a kinematic nondynamic framework. One simulation, a cirrus cloud simulation, was to test the Danielsen (1982) hypothesis of a dehydration mechanism for the stratosphere; the other was to simulate the mesoscale updraft in order to test an alternative mechanism for 'freeze-drying' the air. The results show that the physical processes simulated in the mesoscale updraft differ from those in the thin-cirrus simulation. While in the thin-cirrus case, eddy fluxes occur in response to IR radiative destabilization, and, hence, no net transfer occurs between troposphere and stratosphere, the mesosphere updraft case has net upward mass transport into the lower stratosphere.

A Metascalable Computing Framework for Large Spatiotemporal-Scale Atomistic Simulations

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

Nomura, K; Seymour, R; Wang, W

2009-02-17

A metascalable (or 'design once, scale on new architectures') parallel computing framework has been developed for large spatiotemporal-scale atomistic simulations of materials based on spatiotemporal data locality principles, which is expected to scale on emerging multipetaflops architectures. The framework consists of: (1) an embedded divide-and-conquer (EDC) algorithmic framework based on spatial locality to design linear-scaling algorithms for high complexity problems; (2) a space-time-ensemble parallel (STEP) approach based on temporal locality to predict long-time dynamics, while introducing multiple parallelization axes; and (3) a tunable hierarchical cellular decomposition (HCD) parallelization framework to map these O(N) algorithms onto a multicore cluster based onmore » hybrid implementation combining message passing and critical section-free multithreading. The EDC-STEP-HCD framework exposes maximal concurrency and data locality, thereby achieving: (1) inter-node parallel efficiency well over 0.95 for 218 billion-atom molecular-dynamics and 1.68 trillion electronic-degrees-of-freedom quantum-mechanical simulations on 212,992 IBM BlueGene/L processors (superscalability); (2) high intra-node, multithreading parallel efficiency (nanoscalability); and (3) nearly perfect time/ensemble parallel efficiency (eon-scalability). The spatiotemporal scale covered by MD simulation on a sustained petaflops computer per day (i.e. petaflops {center_dot} day of computing) is estimated as NT = 2.14 (e.g. N = 2.14 million atoms for T = 1 microseconds).« less

Rapid Prototyping of an Aircraft Model in an Object-Oriented Simulation

NASA Technical Reports Server (NTRS)

Kenney, P. Sean

2003-01-01

A team was created to participate in the Mars Scout Opportunity. Trade studies determined that an aircraft provided the best opportunity to complete the science objectives of the team. A high fidelity six degree of freedom flight simulation was required to provide credible evidence that the aircraft design fulfilled mission objectives and to support the aircraft design process by providing performance evaluations. The team created the simulation using the Langley Standard Real-Time Simulation in C++ (LaSRS++) application framework. A rapid prototyping approach was necessary because the team had only three months to both develop the aircraft simulation model and evaluate aircraft performance as the design and mission parameters matured. The design of LaSRS++ enabled rapid-prototyping in several ways. First, the framework allowed component models to be designed, implemented, unit-tested, and integrated quickly. Next, the framework provides a highly reusable infrastructure that allowed developers to maximize code reuse while concentrating on aircraft and mission specific features. Finally, the framework reduces risk by providing reusable components that allow developers to build a quality product with a compressed testing cycle that relies heavily on unit testing of new components.

Conceptual Modeling Framework for E-Area PA HELP Infiltration Model Simulations

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

Dyer, J. A.

A conceptual modeling framework based on the proposed E-Area Low-Level Waste Facility (LLWF) closure cap design is presented for conducting Hydrologic Evaluation of Landfill Performance (HELP) model simulations of intact and subsided cap infiltration scenarios for the next E-Area Performance Assessment (PA).

Developmental framework to validate future designs of ballistic neck protection.

PubMed

Breeze, J; Midwinter, M J; Pope, D; Porter, K; Hepper, A E; Clasper, J

2013-01-01

The number of neck injuries has increased during the war in Afghanistan, and they have become an appreciable source of mortality and long-term morbidity for UK servicemen. A three-dimensional numerical model of the neck is necessary to allow simulation of penetrating injury from explosive fragments so that the design of body armour can be optimal, and a framework is required to validate and describe the individual components of this program. An interdisciplinary consensus group consisting of military maxillofacial surgeons, and biomedical, physical, and material scientists was convened to generate the components of the framework, and as a result it incorporates the following components: analysis of deaths and long-term morbidity, assessment of critical cervical structures for incorporation into the model, characterisation of explosive fragments, evaluation of the material of which the body armour is made, and mapping of the entry sites of fragments. The resulting numerical model will simulate the wound tract produced by fragments of differing masses and velocities, and illustrate the effects of temporary cavities on cervical neurovascular structures. Using this framework, a new shirt to be worn under body armour that incorporates ballistic cervical protection has been developed for use in Afghanistan. New designs of the collar validated by human factors and assessment of coverage are currently being incorporated into early versions of the numerical model. The aim of this paper is to describe this developmental framework and provide an update on the current progress of its individual components. Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.

When the Mannequin Dies, Creation and Exploration of a Theoretical Framework Using a Mixed Methods Approach.

PubMed

Tripathy, Shreepada; Miller, Karen H; Berkenbosch, John W; McKinley, Tara F; Boland, Kimberly A; Brown, Seth A; Calhoun, Aaron W

2016-06-01

Controversy exists in the simulation community as to the emotional and educational ramifications of mannequin death due to learner action or inaction. No theoretical framework to guide future investigations of learner actions currently exists. The purpose of our study was to generate a model of the learner experience of mannequin death using a mixed methods approach. The study consisted of an initial focus group phase composed of 11 learners who had previously experienced mannequin death due to action or inaction on the part of learners as defined by Leighton (Clin Simul Nurs. 2009;5(2):e59-e62). Transcripts were analyzed using grounded theory to generate a list of relevant themes that were further organized into a theoretical framework. With the use of this framework, a survey was generated and distributed to additional learners who had experienced mannequin death due to action or inaction. Results were analyzed using a mixed methods approach. Forty-one clinicians completed the survey. A correlation was found between the emotional experience of mannequin death and degree of presession anxiety (P < 0.001). Debriefing was found to significantly reduce negative emotion and enhance satisfaction. Sixty-nine percent of respondents indicated that mannequin death enhanced learning. These results were used to modify our framework. Using the previous approach, we created a model of the effect of mannequin death on the educational and psychological state of learners. We offer the final model as a guide to future research regarding the learner experience of mannequin death.

Application of CFE/POST2 for Simulation of Launch Vehicle Stage Separation

NASA Technical Reports Server (NTRS)

Pamadi, Bandu N.; Tartabini, Paul V.; Toniolo, Matthew D.; Roithmayr, Carlos M.; Karlgaard, Christopher D.; Samareh, Jamshid A.

2009-01-01

The constraint force equation (CFE) methodology provides a framework for modeling constraint forces and moments acting at joints that connect multiple vehicles. With implementation in Program to Optimize Simulated Trajectories II (POST 2), the CFE provides a capability to simulate end-to-end trajectories of launch vehicles, including stage separation. In this paper, the CFE/POST2 methodology is applied to the Shuttle-SRB separation problem as a test and validation case. The CFE/POST2 results are compared with STS-1 flight test data.

Slat Noise Predictions Using Higher-Order Finite-Difference Methods on Overset Grids

NASA Technical Reports Server (NTRS)

Housman, Jeffrey A.; Kiris, Cetin

2016-01-01

Computational aeroacoustic simulations using the structured overset grid approach and higher-order finite difference methods within the Launch Ascent and Vehicle Aerodynamics (LAVA) solver framework are presented for slat noise predictions. The simulations are part of a collaborative study comparing noise generation mechanisms between a conventional slat and a Krueger leading edge flap. Simulation results are compared with experimental data acquired during an aeroacoustic test in the NASA Langley Quiet Flow Facility. Details of the structured overset grid, numerical discretization, and turbulence model are provided.

A Monte Carlo simulation framework for electron beam dose calculations using Varian phase space files for TrueBeam Linacs

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

Rodrigues, Anna; Yin, Fang-Fang; Wu, Qiuwen, E-mail: Qiuwen.Wu@Duke.edu

2015-05-15

Purpose: To develop a framework for accurate electron Monte Carlo dose calculation. In this study, comprehensive validations of vendor provided electron beam phase space files for Varian TrueBeam Linacs against measurement data are presented. Methods: In this framework, the Monte Carlo generated phase space files were provided by the vendor and used as input to the downstream plan-specific simulations including jaws, electron applicators, and water phantom computed in the EGSnrc environment. The phase space files were generated based on open field commissioning data. A subset of electron energies of 6, 9, 12, 16, and 20 MeV and open and collimatedmore » field sizes 3 × 3, 4 × 4, 5 × 5, 6 × 6, 10 × 10, 15 × 15, 20 × 20, and 25 × 25 cm{sup 2} were evaluated. Measurements acquired with a CC13 cylindrical ionization chamber and electron diode detector and simulations from this framework were compared for a water phantom geometry. The evaluation metrics include percent depth dose, orthogonal and diagonal profiles at depths R{sub 100}, R{sub 50}, R{sub p}, and R{sub p+} for standard and extended source-to-surface distances (SSD), as well as cone and cut-out output factors. Results: Agreement for the percent depth dose and orthogonal profiles between measurement and Monte Carlo was generally within 2% or 1 mm. The largest discrepancies were observed within depths of 5 mm from phantom surface. Differences in field size, penumbra, and flatness for the orthogonal profiles at depths R{sub 100}, R{sub 50}, and R{sub p} were within 1 mm, 1 mm, and 2%, respectively. Orthogonal profiles at SSDs of 100 and 120 cm showed the same level of agreement. Cone and cut-out output factors agreed well with maximum differences within 2.5% for 6 MeV and 1% for all other energies. Cone output factors at extended SSDs of 105, 110, 115, and 120 cm exhibited similar levels of agreement. Conclusions: We have presented a Monte Carlo simulation framework for electron beam dose calculations for Varian TrueBeam Linacs. Electron beam energies of 6 to 20 MeV for open and collimated field sizes from 3 × 3 to 25 × 25 cm{sup 2} were studied and results were compared to the measurement data with excellent agreement. Application of this framework can thus be used as the platform for treatment planning of dynamic electron arc radiotherapy and other advanced dynamic techniques with electron beams.« less

A mathematical framework for modelling cambial surface evolution using a level set method

PubMed Central

Sellier, Damien; Plank, Michael J.; Harrington, Jonathan J.

2011-01-01

Background and Aims During their lifetime, tree stems take a series of successive nested shapes. Individual tree growth models traditionally focus on apical growth and architecture. However, cambial growth, which is distributed over a surface layer wrapping the whole organism, equally contributes to plant form and function. This study aims at providing a framework to simulate how organism shape evolves as a result of a secondary growth process that occurs at the cellular scale. Methods The development of the vascular cambium is modelled as an expanding surface using the level set method. The surface consists of multiple compartments following distinct expansion rules. Growth behaviour can be formulated as a mathematical function of surface state variables and independent variables to describe biological processes. Key Results The model was coupled to an architectural model and to a forest stand model to simulate cambium dynamics and wood formation at the scale of the organism. The model is able to simulate competition between cambia, surface irregularities and local features. Predicting the shapes associated with arbitrarily complex growth functions does not add complexity to the numerical method itself. Conclusions Despite their slenderness, it is sometimes useful to conceive of trees as expanding surfaces. The proposed mathematical framework provides a way to integrate through time and space the biological and physical mechanisms underlying cambium activity. It can be used either to test growth hypotheses or to generate detailed maps of wood internal structure. PMID:21470972

Summary of a Modeling and Simulation Framework for High-Fidelity Weapon Models in Joint Semi-Automated Forces (JSAF) and Other Mission-Simulation Software

DTIC Science & Technology

2008-05-01

communicate with other weapon models In a mission-level simulation; (3) introduces the four configuration levels of the M&S framework; and (4) presents a cost ...and Disadvantages ....................................................................... 26 6 COST -EFFECTIVE M&S LABORATORY PLAN...25 23 Weapon Model Sample Time and Average TET Displayed on the Target PC ..... 26 24 Design and Cost of an

Chimaera simulation of complex states of flowing matter

PubMed Central

2016-01-01

We discuss a unified mesoscale framework (chimaera) for the simulation of complex states of flowing matter across scales of motion. The chimaera framework can deal with each of the three macro–meso–micro levels through suitable ‘mutations’ of the basic mesoscale formulation. The idea is illustrated through selected simulations of complex micro- and nanoscale flows. This article is part of the themed issue ‘Multiscale modelling at the physics–chemistry–biology interface’. PMID:27698031

Integrating the fundamentals of care framework in baccalaureate nursing education: An example from a nursing school in Denmark.

PubMed

Voldbjerg, Siri Lygum; Laugesen, Britt; Bahnsen, Iben Bøgh; Jørgensen, Lone; Sørensen, Ingrid Maria; Grønkjaer, Mette; Sørensen, Erik Elgaard

2018-06-01

To describe and discuss the process of integrating the Fundamentals of Care framework in a baccalaureate nursing education at a School of Nursing in Denmark. Nursing education plays an essential role in educating nurses to work within healthcare systems in which a demanding workload on nurses results in fundamental nursing care being left undone. Newly graduated nurses often lack knowledge and skills to meet the challenges of delivering fundamental care in clinical practice. To develop nursing students' understanding of fundamental nursing, the conceptual Fundamentals of Care framework has been integrated in nursing education at a School of Nursing in Denmark. Discursive paper using an adjusted descriptive case study design for describing and discussing the process of integrating the conceptual Fundamentals of Care Framework in nursing education. The process of integrating the Fundamentals of Care framework is illuminated through a description of the context, in which the process occurs including the faculty members, lectures, case-based work and simulation laboratory in nursing education. Based on this description, opportunities such as supporting a holistic approach to an evidence-based integrative patient care and challenges such as scepticism among the faculty are discussed. It is suggested how integration of Fundamentals of Care Framework in lectures, case-based work and simulation laboratory can make fundamental nursing care more explicit in nursing education, support critical thinking and underline the relevance of evidence-based practice. The process relies on a supportive context, a well-informed and engaged faculty, and continuous reflections on how the conceptual framework can be integrated. Integrating the Fundamentals of Care framework can support nursing students' critical thinking and reflection on what fundamental nursing care is and requires and eventually educate nurses in providing evidence-based fundamental nursing care. © 2018 John Wiley & Sons Ltd.

Simulating Terrestrial Gamma-ray Flashes using SWORD (Invited)

NASA Astrophysics Data System (ADS)

Gwon, C.; Grove, J.; Dwyer, J. R.; Mattson, K.; Polaski, D.; Jackson, L.

2013-12-01

We report on simulations of the relativistic feedback discharges involved with the production of terrestrial gamma-ray flashes (TGFs). The simulations were conducted using Geant4 using the SoftWare for the Optimization of Radiation Detectors (SWORD) framework. SWORD provides a graphical interface for setting up simulations in select high-energy radiation transport engines. Using Geant4, we determine avalanche length, the energy spectrum of the electrons and gamma-rays as they leave the field region, and the feedback factor describing the degree to which the production of energetic particles is self-sustaining. We validate our simulations against previous work in order to determine the reliability of our results. This work is funded by the Office of Naval Research.

Multi-sources data fusion framework for remote triage prioritization in telehealth.

PubMed

Salman, O H; Rasid, M F A; Saripan, M I; Subramaniam, S K

2014-09-01

The healthcare industry is streamlining processes to offer more timely and effective services to all patients. Computerized software algorithm and smart devices can streamline the relation between users and doctors by providing more services inside the healthcare telemonitoring systems. This paper proposes a multi-sources framework to support advanced healthcare applications. The proposed framework named Multi Sources Healthcare Architecture (MSHA) considers multi-sources: sensors (ECG, SpO2 and Blood Pressure) and text-based inputs from wireless and pervasive devices of Wireless Body Area Network. The proposed framework is used to improve the healthcare scalability efficiency by enhancing the remote triaging and remote prioritization processes for the patients. The proposed framework is also used to provide intelligent services over telemonitoring healthcare services systems by using data fusion method and prioritization technique. As telemonitoring system consists of three tiers (Sensors/ sources, Base station and Server), the simulation of the MSHA algorithm in the base station is demonstrated in this paper. The achievement of a high level of accuracy in the prioritization and triaging patients remotely, is set to be our main goal. Meanwhile, the role of multi sources data fusion in the telemonitoring healthcare services systems has been demonstrated. In addition to that, we discuss how the proposed framework can be applied in a healthcare telemonitoring scenario. Simulation results, for different symptoms relate to different emergency levels of heart chronic diseases, demonstrate the superiority of our algorithm compared with conventional algorithms in terms of classify and prioritize the patients remotely.

A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems

NASA Astrophysics Data System (ADS)

Gothandaraman, Akila; Peterson, Gregory D.; Warren, G. Lee; Hinde, Robert J.; Harrison, Robert J.

2009-12-01

Interest in the study of structural and energetic properties of highly quantum clusters, such as inert gas clusters has motivated the development of a hardware-accelerated framework for Quantum Monte Carlo simulations. In the Quantum Monte Carlo method, the properties of a system of atoms, such as the ground-state energies, are averaged over a number of iterations. Our framework is aimed at accelerating the computations in each iteration of the QMC application by offloading the calculation of properties, namely energy and trial wave function, onto reconfigurable hardware. This gives a user the capability to run simulations for a large number of iterations, thereby reducing the statistical uncertainty in the properties, and for larger clusters. This framework is designed to run on the Cray XD1 high performance reconfigurable computing platform, which exploits the coarse-grained parallelism of the processor along with the fine-grained parallelism of the reconfigurable computing devices available in the form of field-programmable gate arrays. In this paper, we illustrate the functioning of the framework, which can be used to calculate the energies for a model cluster of helium atoms. In addition, we present the capabilities of the framework that allow the user to vary the chemical identities of the simulated atoms. Program summaryProgram title: Hardware Accelerated Quantum Monte Carlo (HAQMC) Catalogue identifier: AEEP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEP_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 691 537 No. of bytes in distributed program, including test data, etc.: 5 031 226 Distribution format: tar.gz Programming language: C/C++ for the QMC application, VHDL and Xilinx 8.1 ISE/EDK tools for FPGA design and development Computer: Cray XD1 consisting of a dual-core, dualprocessor AMD Opteron 2.2 GHz with a Xilinx Virtex-4 (V4LX160) or Xilinx Virtex-II Pro (XC2VP50) FPGA per node. We use the compute node with the Xilinx Virtex-4 FPGA Operating system: Red Hat Enterprise Linux OS Has the code been vectorised or parallelized?: Yes Classification: 6.1 Nature of problem: Quantum Monte Carlo is a practical method to solve the Schrödinger equation for large many-body systems and obtain the ground-state properties of such systems. This method involves the sampling of a number of configurations of atoms and averaging the properties of the configurations over a number of iterations. We are interested in applying the QMC method to obtain the energy and other properties of highly quantum clusters, such as inert gas clusters. Solution method: The proposed framework provides a combined hardware-software approach, in which the QMC simulation is performed on the host processor, with the computationally intensive functions such as energy and trial wave function computations mapped onto the field-programmable gate array (FPGA) logic device attached as a co-processor to the host processor. We perform the QMC simulation for a number of iterations as in the case of our original software QMC approach, to reduce the statistical uncertainty of the results. However, our proposed HAQMC framework accelerates each iteration of the simulation, by significantly reducing the time taken to calculate the ground-state properties of the configurations of atoms, thereby accelerating the overall QMC simulation. We provide a generic interpolation framework that can be extended to study a variety of pure and doped atomic clusters, irrespective of the chemical identities of the atoms. For the FPGA implementation of the properties, we use a two-region approach for accurately computing the properties over the entire domain, employ deep pipelines and fixed-point for all our calculations guaranteeing the accuracy required for our simulation.

SU-F-BRF-01: A GPU Framework for Developing Interactive High-Resolution Patient-Specific Biomechanical Models

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

Neylon, J; Qi, S; Sheng, K

2014-06-15

Purpose: To develop a GPU-based framework that can generate highresolution and patient-specific biomechanical models from a given simulation CT and contoured structures, optimized to run at interactive speeds, for addressing adaptive radiotherapy objectives. Method: A Massspring-damping (MSD) model was generated from a given simulation CT. The model's mass elements were generated for every voxel of anatomy, and positioned in a deformation space in the GPU memory. MSD connections were established between neighboring mass elements in a dense distribution. Contoured internal structures allowed control over elastic material properties of different tissues. Once the model was initialized in GPU memory, skeletal anatomymore » was actuated using rigid-body transformations, while soft tissues were governed by elastic corrective forces and constraints, which included tensile forces, shear forces, and spring damping forces. The model was validated by applying a known load to a soft tissue block and comparing the observed deformation to ground truth calculations from established elastic mechanics. Results: Our analyses showed that both local and global load experiments yielded results with a correlation coefficient R{sup 2} > 0.98 compared to ground truth. Models were generated for several anatomical regions. Head and neck models accurately simulated posture changes by rotating the skeletal anatomy in three dimensions. Pelvic models were developed for realistic deformations for changes in bladder volume. Thoracic models demonstrated breast deformation due to gravity when changing treatment position from supine to prone. The GPU framework performed at greater than 30 iterations per second for over 1 million mass elements with up to 26 MSD connections each. Conclusions: Realistic simulations of site-specific, complex posture and physiological changes were simulated at interactive speeds using patient data. Incorporating such a model with live patient tracking would facilitate real time assessment of variations of the actual anatomy and delivered dose for adaptive intervention and re-planning.« less

Real-time simulation of combined short-wave and long-wave infrared vision on a head-up display

NASA Astrophysics Data System (ADS)

Peinecke, Niklas; Schmerwitz, Sven

2014-05-01

Landing under adverse weather conditions can be challenging, even if the airfields are well known to the pilots. This is true for civil as well as military aviation. Within the scope of this paper we concentrate especially on fog conditions. The work has been conducted within the project ALICIA. ALICIA is a research and development project co-funded by European Commission under the Seventh Framework Programme. ALICIA aims at developing new and scalable cockpit applications which can extend operations of aircraft in degraded conditions: All Conditions Operations. One of the systems developed is a head-up display that can display a generated symbology together with a raster-mode infrared image. We will detail how we implemented a real-time enabled simulation of a combined short-wave and long-wave infrared image for landing. A major challenge was to integrate several already existing simulation solutions, e.g., for visual simulation and sensors with the required data-bases. For the simulations DLRs in-house sensor simulation framework F3S was used, together with a commercially available airport model that had to be heavily modified in order to provide realistic infrared data. Special effort was invested for a realistic impression of runway lighting under foggy conditions. We will present results and sketch further improvements for future simulations.

A mathematical model for Vertical Attitude Takeoff and Landing (VATOL) aircraft simulation. Volume 3: User's manual for VATOL simulation program

NASA Technical Reports Server (NTRS)

Fortenbaugh, R. L.

1980-01-01

Instructions for using Vertical Attitude Takeoff and Landing Aircraft Simulation (VATLAS), the digital simulation program for application to vertical attitude takeoff and landing (VATOL) aircraft developed for installation on the NASA Ames CDC 7600 computer system are described. The framework for VATLAS is the Off-Line Simulation (OLSIM) routine. The OLSIM routine provides a flexible framework and standardized modules which facilitate the development of off-line aircraft simulations. OLSIM runs under the control of VTOLTH, the main program, which calls the proper modules for executing user specified options. These options include trim, stability derivative calculation, time history generation, and various input-output options.

A framework for the direct evaluation of large deviations in non-Markovian processes

NASA Astrophysics Data System (ADS)

Cavallaro, Massimo; Harris, Rosemary J.

2016-11-01

We propose a general framework to simulate stochastic trajectories with arbitrarily long memory dependence and efficiently evaluate large deviation functions associated to time-extensive observables. This extends the ‘cloning’ procedure of Giardiná et al (2006 Phys. Rev. Lett. 96 120603) to non-Markovian systems. We demonstrate the validity of this method by testing non-Markovian variants of an ion-channel model and the totally asymmetric exclusion process, recovering results obtainable by other means.

Results of EAS characteristics calculations in the framework of the universal hadronic interaction model NEXUS

NASA Astrophysics Data System (ADS)

Kalmykov, N. N.; Ostapchenko, S. S.; Werner, K.

An extensive air shower (EAS) calculation scheme based on cascade equations and some EAS characteristics for energies 1014 -1017 eV are presented. The universal hadronic interaction model NEXUS is employed to provide the necessary data concerning hadron-air collisions. The influence of model assumptions on the longitudinal EAS development is discussed in the framework of the NEXUS and QGSJET models. Applied to EAS simulations, perspectives of combined Monte Carlo and numerical methods are considered.

A locally p-adaptive approach for Large Eddy Simulation of compressible flows in a DG framework

NASA Astrophysics Data System (ADS)

Tugnoli, Matteo; Abbà, Antonella; Bonaventura, Luca; Restelli, Marco

2017-11-01

We investigate the possibility of reducing the computational burden of LES models by employing local polynomial degree adaptivity in the framework of a high-order DG method. A novel degree adaptation technique especially featured to be effective for LES applications is proposed and its effectiveness is compared to that of other criteria already employed in the literature. The resulting locally adaptive approach allows to achieve significant reductions in computational cost of representative LES computations.

Triple collinear emissions in parton showers

DOE PAGES

Hoche, Stefan; Prestel, Stefan

2017-10-17

A framework to include triple collinear splitting functions into parton showers is presented, and the implementation of flavor-changing next-to-leading-order (NLO) splitting kernels is discussed as a first application. The correspondence between the Monte Carlo integration and the analytic computation of NLO DGLAP evolution kernels is made explicit for both timelike and spacelike parton evolution. Finally, numerical simulation results are obtained with two independent implementations of the new algorithm, using the two independent event generation frameworks PYTHIA and SHERPA.

FNCS: A Framework for Power System and Communication Networks Co-Simulation

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

Ciraci, Selim; Daily, Jeffrey A.; Fuller, Jason C.

2014-04-13

This paper describes the Fenix framework that uses a federated approach for integrating power grid and communication network simulators. Compared existing approaches, Fenix al- lows co-simulation of both transmission and distribution level power grid simulators with the communication network sim- ulator. To reduce the performance overhead of time synchro- nization, Fenix utilizes optimistic synchronization strategies that make speculative decisions about when the simulators are going to exchange messages. GridLAB-D (a distribution simulator), PowerFlow (a transmission simulator), and ns-3 (a telecommunication simulator) are integrated with the frame- work and are used to illustrate the enhanced performance pro- vided by speculative multi-threadingmore » on a smart grid applica- tion. Our speculative multi-threading approach achieved on average 20% improvement over the existing synchronization methods« less

Simulation of transmission electron microscope images of biological specimens.

PubMed

Rullgård, H; Ofverstedt, L-G; Masich, S; Daneholt, B; Oktem, O

2011-09-01

We present a new approach to simulate electron cryo-microscope images of biological specimens. The framework for simulation consists of two parts; the first is a phantom generator that generates a model of a specimen suitable for simulation, the second is a transmission electron microscope simulator. The phantom generator calculates the scattering potential of an atomic structure in aqueous buffer and allows the user to define the distribution of molecules in the simulated image. The simulator includes a well defined electron-specimen interaction model based on the scalar Schrödinger equation, the contrast transfer function for optics, and a noise model that includes shot noise as well as detector noise including detector blurring. To enable optimal performance, the simulation framework also includes a calibration protocol for setting simulation parameters. To test the accuracy of the new framework for simulation, we compare simulated images to experimental images recorded of the Tobacco Mosaic Virus (TMV) in vitreous ice. The simulated and experimental images show good agreement with respect to contrast variations depending on dose and defocus. Furthermore, random fluctuations present in experimental and simulated images exhibit similar statistical properties. The simulator has been designed to provide a platform for development of new instrumentation and image processing procedures in single particle electron microscopy, two-dimensional crystallography and electron tomography with well documented protocols and an open source code into which new improvements and extensions are easily incorporated. © 2011 The Authors Journal of Microscopy © 2011 Royal Microscopical Society.

Monitoring and modeling as a continuing learning process: the use of hydrological models in a general probabilistic framework.

NASA Astrophysics Data System (ADS)

Baroni, G.; Gräff, T.; Reinstorf, F.; Oswald, S. E.

2012-04-01

Nowadays uncertainty and sensitivity analysis are considered basic tools for the assessment of hydrological models and the evaluation of the most important sources of uncertainty. In this context, in the last decades several methods have been developed and applied in different hydrological conditions. However, in most of the cases, the studies have been done by investigating mainly the influence of the parameter uncertainty on the simulated outputs and few approaches tried to consider also other sources of uncertainty i.e. input and model structure. Moreover, several constrains arise when spatially distributed parameters are involved. To overcome these limitations a general probabilistic framework based on Monte Carlo simulations and the Sobol method has been proposed. In this study, the general probabilistic framework was applied at field scale using a 1D physical-based hydrological model (SWAP). Furthermore, the framework was extended at catchment scale in combination with a spatially distributed hydrological model (SHETRAN). The models are applied in two different experimental sites in Germany: a relatively flat cropped field close to Potsdam (Brandenburg) and a small mountainous catchment with agricultural land use (Schaefertal, Harz Mountains). For both cases, input and parameters are considered as major sources of uncertainty. Evaluation of the models was based on soil moisture detected at plot scale in different depths and, for the catchment site, also with daily discharge values. The study shows how the framework can take into account all the various sources of uncertainty i.e. input data, parameters (either in scalar or spatially distributed form) and model structures. The framework can be used in a loop in order to optimize further monitoring activities used to improve the performance of the model. In the particular applications, the results show how the sources of uncertainty are specific for each process considered. The influence of the input data as well as the presence of compensating errors become clear by the different processes simulated.

Central safety factor and β N control on NSTX-U via beam power and plasma boundary shape modification, using TRANSP for closed loop simulations

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

Boyer, M. D.; Andre, R.; Gates, D. A.

The high-performance operational goals of NSTX-U will require development of advanced feedback control algorithms, including control of ßN and the safety factor profile. In this work, a novel approach to simultaneously controlling ßN and the value of the safety factor on the magnetic axis, q0, through manipulation of the plasma boundary shape and total beam power, is proposed. Simulations of the proposed scheme show promising results and motivate future experimental implementation and eventual integration into a more complex current profile control scheme planned to include actuation of individual beam powers, density, and loop voltage. As part of this work, amore » flexible framework for closed loop simulations within the high-fidelity code TRANSP was developed. The framework, used here to identify control-design-oriented models and to tune and test the proposed controller, exploits many of the predictive capabilities of TRANSP and provides a means for performing control calculations based on user-supplied data (controller matrices, target waveforms, etc.). The flexible framework should enable high-fidelity testing of a variety of control algorithms, thereby reducing the amount of expensive experimental time needed to implement new control algorithms on NSTX-U and other devices.« less

Central safety factor and βN control on NSTX-U via beam power and plasma boundary shape modification, using TRANSP for closed loop simulations

NASA Astrophysics Data System (ADS)

Boyer, M. D.; Andre, R.; Gates, D. A.; Gerhardt, S.; Goumiri, I. R.; Menard, J.

2015-05-01

The high-performance operational goals of NSTX-U will require development of advanced feedback control algorithms, including control of βN and the safety factor profile. In this work, a novel approach to simultaneously controlling βN and the value of the safety factor on the magnetic axis, q0, through manipulation of the plasma boundary shape and total beam power, is proposed. Simulations of the proposed scheme show promising results and motivate future experimental implementation and eventual integration into a more complex current profile control scheme planned to include actuation of individual beam powers, density, and loop voltage. As part of this work, a flexible framework for closed loop simulations within the high-fidelity code TRANSP was developed. The framework, used here to identify control-design-oriented models and to tune and test the proposed controller, exploits many of the predictive capabilities of TRANSP and provides a means for performing control calculations based on user-supplied data (controller matrices, target waveforms, etc). The flexible framework should enable high-fidelity testing of a variety of control algorithms, thereby reducing the amount of expensive experimental time needed to implement new control algorithms on NSTX-U and other devices.

EEG-fMRI Bayesian framework for neural activity estimation: a simulation study

NASA Astrophysics Data System (ADS)

Croce, Pierpaolo; Basti, Alessio; Marzetti, Laura; Zappasodi, Filippo; Del Gratta, Cosimo

2016-12-01

Objective. Due to the complementary nature of electroencephalography (EEG) and functional magnetic resonance imaging (fMRI), and given the possibility of simultaneous acquisition, the joint data analysis can afford a better understanding of the underlying neural activity estimation. In this simulation study we want to show the benefit of the joint EEG-fMRI neural activity estimation in a Bayesian framework. Approach. We built a dynamic Bayesian framework in order to perform joint EEG-fMRI neural activity time course estimation. The neural activity is originated by a given brain area and detected by means of both measurement techniques. We have chosen a resting state neural activity situation to address the worst case in terms of the signal-to-noise ratio. To infer information by EEG and fMRI concurrently we used a tool belonging to the sequential Monte Carlo (SMC) methods: the particle filter (PF). Main results. First, despite a high computational cost, we showed the feasibility of such an approach. Second, we obtained an improvement in neural activity reconstruction when using both EEG and fMRI measurements. Significance. The proposed simulation shows the improvements in neural activity reconstruction with EEG-fMRI simultaneous data. The application of such an approach to real data allows a better comprehension of the neural dynamics.

Voxel2MCNP: a framework for modeling, simulation and evaluation of radiation transport scenarios for Monte Carlo codes.

PubMed

Pölz, Stefan; Laubersheimer, Sven; Eberhardt, Jakob S; Harrendorf, Marco A; Keck, Thomas; Benzler, Andreas; Breustedt, Bastian

2013-08-21

The basic idea of Voxel2MCNP is to provide a framework supporting users in modeling radiation transport scenarios using voxel phantoms and other geometric models, generating corresponding input for the Monte Carlo code MCNPX, and evaluating simulation output. Applications at Karlsruhe Institute of Technology are primarily whole and partial body counter calibration and calculation of dose conversion coefficients. A new generic data model describing data related to radiation transport, including phantom and detector geometries and their properties, sources, tallies and materials, has been developed. It is modular and generally independent of the targeted Monte Carlo code. The data model has been implemented as an XML-based file format to facilitate data exchange, and integrated with Voxel2MCNP to provide a common interface for modeling, visualization, and evaluation of data. Also, extensions to allow compatibility with several file formats, such as ENSDF for nuclear structure properties and radioactive decay data, SimpleGeo for solid geometry modeling, ImageJ for voxel lattices, and MCNPX's MCTAL for simulation results have been added. The framework is presented and discussed in this paper and example workflows for body counter calibration and calculation of dose conversion coefficients is given to illustrate its application.

Numerical simulation of solitary waves on deep water with constant vorticity

NASA Astrophysics Data System (ADS)

Dosaev, A. S.; Shishina, M. I.; Troitskaya, Yu I.

2018-01-01

Characteristics of solitary deep water waves on a flow with constant vorticity are investigated by numerical simulation within the framework of fully nonlinear equations of motion (Euler equations) using the method of surface-tracking conformal coordinates. To ensure that solutions observed are stable, soliton formation as a result of disintegration of an initial pulse-like disturbance is modeled. Evidence is obtained that solitary waves with height above a certain threshold are unstable.

UAV Swarm Tactics: An Agent-Based Simulation and Markov Process Analysis

DTIC Science & Technology

2013-06-01

CRN Common Random Numbers CSV Comma Separated Values DoE Design of Experiment GLM Generalized Linear Model HVT High Value Target JAR Java ARchive JMF... Java Media Framework JRE Java runtime environment Mason Multi-Agent Simulator Of Networks MOE Measure Of Effectiveness MOP Measures Of Performance...with every set several times, and to write a CSV file with the results. Rather than scripting the agent behavior deterministically, the agents should

Lipid-converter, a framework for lipid manipulations in molecular dynamics simulations

PubMed Central

Larsson, Per; Kasson, Peter M.

2014-01-01

Construction of lipid membrane and membrane protein systems for molecular dynamics simulations can be a challenging process. In addition, there are few available tools to extend existing studies by repeating simulations using other force fields and lipid compositions. To facilitate this, we introduce lipidconverter, a modular Python framework for exchanging force fields and lipid composition in coordinate files obtained from simulations. Force fields and lipids are specified by simple text files, making it easy to introduce support for additional force fields and lipids. The converter produces simulation input files that can be used for structural relaxation of the new membranes. PMID:25081234

A symbiotic approach to fluid equations and non-linear flux-driven simulations of plasma dynamics

NASA Astrophysics Data System (ADS)

Halpern, Federico

2017-10-01

The fluid framework is ubiquitous in studies of plasma transport and stability. Typical forms of the fluid equations are motivated by analytical work dating several decades ago, before computer simulations were indispensable, and can be, therefore, not optimal for numerical computation. We demonstrate a new first-principles approach to obtaining manifestly consistent, skew-symmetric fluid models, ensuring internal consistency and conservation properties even in discrete form. Mass, kinetic, and internal energy become quadratic (and always positive) invariants of the system. The model lends itself to a robust, straightforward discretization scheme with inherent non-linear stability. A simpler, drift-ordered form of the equations is obtained, and first results of their numerical implementation as a binary framework for bulk-fluid global plasma simulations are demonstrated. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, Theory Program, under Award No. DE-FG02-95ER54309.

Screening of groundwater remedial alternatives for brownfield sites: a comprehensive method integrated MCDA with numerical simulation.

PubMed

Li, Wei; Zhang, Min; Wang, Mingyu; Han, Zhantao; Liu, Jiankai; Chen, Zhezhou; Liu, Bo; Yan, Yan; Liu, Zhu

2018-06-01

Brownfield sites pollution and remediation is an urgent environmental issue worldwide. The screening and assessment of remedial alternatives is especially complex owing to its multiple criteria that involves technique, economy, and policy. To help the decision-makers selecting the remedial alternatives efficiently, the criteria framework conducted by the U.S. EPA is improved and a comprehensive method that integrates multiple criteria decision analysis (MCDA) with numerical simulation is conducted in this paper. The criteria framework is modified and classified into three categories: qualitative, semi-quantitative, and quantitative criteria, MCDA method, AHP-PROMETHEE (analytical hierarchy process-preference ranking organization method for enrichment evaluation) is used to determine the priority ranking of the remedial alternatives and the solute transport simulation is conducted to assess the remedial efficiency. A case study was present to demonstrate the screening method in a brownfield site in Cangzhou, northern China. The results show that the systematic method provides a reliable way to quantify the priority of the remedial alternatives.

Status on the Development of a Modeling and Simulation Framework for the Economic Assessment of Nuclear Hybrid Energy Systems

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

Bragg-Sitton, Shannon Michelle; Rabiti, Cristian; Kinoshita, Robert Arthur

An effort to design and build a modeling and simulation framework to assess the economic viability of Nuclear Hybrid Energy Systems (NHES) was undertaken in fiscal year 2015 (FY15). The purpose of this report is to document the various tasks associated with the development of such a framework and to provide a status on its progress. Several tasks have been accomplished. First, starting from a simulation strategy, a rigorous mathematical formulation has been achieved in which the economic optimization of a Nuclear Hybrid Energy System is presented as a constrained robust (under uncertainty) optimization problem. Some possible algorithms for themore » solution of the optimization problem are presented. A variation of the Simultaneous Perturbation Stochastic Approximation algorithm has been implemented in RAVEN and preliminary tests have been performed. The development of the software infrastructure to support the simulation of the whole NHES has also moved forward. The coupling between RAVEN and an implementation of the Modelica language (OpenModelica) has been implemented, migrated under several operating systems and tested using an adapted model of a desalination plant. In particular, this exercise was focused on testing the coupling of the different code systems; testing parallel, computationally expensive simulations on the INL cluster; and providing a proof of concept for the possibility of using surrogate models to represent the different NHES subsystems. Another important step was the porting of the RAVEN code under the Windows™ operating system. This accomplishment makes RAVEN compatible with the development environment that is being used for dynamic simulation of NHES components. A very simplified model of a NHES on the electric market has been built in RAVEN to confirm expectations on the analysis capability of RAVEN to provide insight into system economics and to test the capability of RAVEN to identify limit surfaces even for stochastic constraints. This capability will be needed in the future to enforce the stochastic constraints on the electric demand coverage from the NHES. The development team gained experience with many of the tools that are currently envisioned for use in the economic analysis of NHES and completed several important steps. Given the complexity of the project, preference has been given to a structural approach in which several independent efforts have been used to build the cornerstone of the simulation framework. While this is good approach in establishing such a complex framework, it may delay reaching more complete results on the performance of analyzed system configurations. The integration of the previously reported exergy analysis approach was initially proposed as part of this milestone. However, in reality, the exergy-based apportioning of cost will take place only in a second stage of the implementation since it will be used to properly allocate cost among the different NHES subsystems. Therefore, exergy does not appear at the level of the main drivers in the analysis framework; the latter development of the base framework is the focus of this report.« less

The role of simulation in mixed-methods research: a framework & application to patient safety.

PubMed

Guise, Jeanne-Marie; Hansen, Matthew; Lambert, William; O'Brien, Kerth

2017-05-04

Research in patient safety is an important area of health services research and is a national priority. It is challenging to investigate rare occurrences, explore potential causes, and account for the complex, dynamic context of healthcare - yet all are required in patient safety research. Simulation technologies have become widely accepted as education and clinical tools, but have yet to become a standard tool for research. We developed a framework for research that integrates accepted patient safety models with mixed-methods research approaches and describe the performance of the framework in a working example of a large National Institutes of Health (NIH)-funded R01 investigation. This worked example of a framework in action, identifies the strengths and limitations of qualitative and quantitative research approaches commonly used in health services research. Each approach builds essential layers of knowledge. We describe how the use of simulation ties these layers of knowledge together and adds new and unique dimensions of knowledge. A mixed-methods research approach that includes simulation provides a broad multi-dimensional approach to health services and patient safety research.

Representing Water Scarcity in Future Agricultural Assessments

NASA Technical Reports Server (NTRS)

Winter, Jonathan M.; Lopez, Jose R.; Ruane, Alexander C.; Young, Charles A.; Scanlon, Bridget R.; Rosenzweig, Cynthia

2017-01-01

Globally, irrigated agriculture is both essential for food production and the largest user of water. A major challenge for hydrologic and agricultural research communities is assessing the sustainability of irrigated croplands under climate variability and change. Simulations of irrigated croplands generally lack key interactions between water supply, water distribution, and agricultural water demand. In this article, we explore the critical interface between water resources and agriculture by motivating, developing, and illustrating the application of an integrated modeling framework to advance simulations of irrigated croplands. We motivate the framework by examining historical dynamics of irrigation water withdrawals in the United States and quantitatively reviewing previous modeling studies of irrigated croplands with a focus on representations of water supply, agricultural water demand, and impacts on crop yields when water demand exceeds water supply. We then describe the integrated modeling framework for simulating irrigated croplands, which links trends and scenarios with water supply, water allocation, and agricultural water demand. Finally, we provide examples of efforts that leverage the framework to improve simulations of irrigated croplands as well as identify opportunities for interventions that increase agricultural productivity, resiliency, and sustainability.

The Effect of Framework Design on Stress Distribution in Implant-Supported FPDs: A 3-D FEM Study

PubMed Central

Eraslan, Oguz; Inan, Ozgur; Secilmis, Asli

2010-01-01

Objectives: The biomechanical behavior of the superstructure plays an important role in the functional longevity of dental implants. However, information about the influence of framework design on stresses transmitted to the implants and supporting tissues is limited. The purpose of this study was to evaluate the effects of framework designs on stress distribution at the supporting bone and supporting implants. Methods: In this study, the three-dimensional (3D) finite element stress analysis method was used. Three types of 3D mathematical models simulating three different framework designs for implant-supported 3-unit posterior fixed partial dentures were prepared with supporting structures. Convex (1), concave (2), and conventional (3) pontic framework designs were simulated. A 300-N static vertical occlusal load was applied on the node at the center of occlusal surface of the pontic to calculate the stress distributions. As a second condition, frameworks were directly loaded to evaluate the effect of the framework design clearly. The Solidworks/Cosmosworks structural analysis programs were used for finite element modeling/analysis. Results: The analysis of the von Mises stress values revealed that maximum stress concentrations were located at the loading areas for all models. The pontic side marginal edges of restorations and the necks of implants were other stress concentration regions. There was no clear difference among models when the restorations were loaded at occlusal surfaces. When the veneering porcelain was removed, and load was applied directly to the framework, there was a clear increase in stress concentration with a concave design on supporting implants and bone structure. Conclusions: The present study showed that the use of a concave design in the pontic frameworks of fixed partial dentures increases the von Mises stress levels on implant abutments and supporting bone structure. However, the veneering porcelain element reduces the effect of the framework and compensates for design weaknesses. PMID:20922156

What are the assets and weaknesses of HFO detectors? A benchmark framework based on realistic simulations

PubMed Central

Pizzo, Francesca; Bartolomei, Fabrice; Wendling, Fabrice; Bénar, Christian-George

2017-01-01

High-frequency oscillations (HFO) have been suggested as biomarkers of epileptic tissues. While visual marking of these short and small oscillations is tedious and time-consuming, automatic HFO detectors have not yet met a large consensus. Even though detectors have been shown to perform well when validated against visual marking, the large number of false detections due to their lack of robustness hinder their clinical application. In this study, we developed a validation framework based on realistic and controlled simulations to quantify precisely the assets and weaknesses of current detectors. We constructed a dictionary of synthesized elements—HFOs and epileptic spikes—from different patients and brain areas by extracting these elements from the original data using discrete wavelet transform coefficients. These elements were then added to their corresponding simulated background activity (preserving patient- and region- specific spectra). We tested five existing detectors against this benchmark. Compared to other studies confronting detectors, we did not only ranked them according their performance but we investigated the reasons leading to these results. Our simulations, thanks to their realism and their variability, enabled us to highlight unreported issues of current detectors: (1) the lack of robust estimation of the background activity, (2) the underestimated impact of the 1/f spectrum, and (3) the inadequate criteria defining an HFO. We believe that our benchmark framework could be a valuable tool to translate HFOs into a clinical environment. PMID:28406919

Evaluation of hazard and integrity monitor functions for integrated alerting and notification using a sensor simulation framework

NASA Astrophysics Data System (ADS)

Bezawada, Rajesh; Uijt de Haag, Maarten

2010-04-01

This paper discusses the results of an initial evaluation study of hazard and integrity monitor functions for use with integrated alerting and notification. The Hazard and Integrity Monitor (HIM) (i) allocates information sources within the Integrated Intelligent Flight Deck (IIFD) to required functionality (like conflict detection and avoidance) and determines required performance of these information sources as part of that function; (ii) monitors or evaluates the required performance of the individual information sources and performs consistency checks among various information sources; (iii) integrates the information to establish tracks of potential hazards that can be used for the conflict probes or conflict prediction for various time horizons including the 10, 5, 3, and <3 minutes used in our scenario; (iv) detects and assesses the class of the hazard and provide possible resolutions. The HIM monitors the operation-dependent performance parameters related to the potential hazards in a manner similar to the Required Navigation Performance (RNP). Various HIM concepts have been implemented and evaluated using a previously developed sensor simulator/synthesizer. Within the simulation framework, various inputs to the IIFD and its subsystems are simulated, synthesized from actual collected data, or played back from actual flight test sensor data. The framework and HIM functions are implemented in SimulinkR, a modeling language developed by The MathworksTM. This modeling language allows for test and evaluation of various sensor and communication link configurations as well as the inclusion of feedback from the pilot on the performance of the aircraft.

Biomechanical analysis of the stresses generated by different disocclusion patterns in an implant-supported mandibular complete denture.

PubMed

Greco, Gustavo Diniz; Jansen, Wellington Corrêa; Landre Junior, Janis; Seraidarian, Paulo Isaías

2009-01-01

This study evaluated by three-dimensional finite element analysis the tensions generated by different disocclusion patterns (canine guide and bilateral balanced occlusion) in an implant-supported mandibular complete denture. A three-dimensional model of implant-supported mandibular complete denture was fabricated according to the Brånemark protocol. A 5-element 3.75 x 13-mm screw-shape dental implant system was modeled for this study. The implants were located in the inter-mental foramen region with 3-mm-high prosthetic components joined by a nickel-chromium framework with 12-mm bilateral cantilever covered by acrylic resin and 12 acrylic denture teeth. SolidWorks software was used before and after processing the simulations. The mechanical properties of the components were inserted in the model and a 15 N load was established in fixed points, in each one of the simulations. Data were collected in the entire nickel-chromium framework. The results were displayed three-dimensionally as color graphic scales. The canine guide generated greater tensions in the region of the first implant, while the bilateral balanced occlusion generated great tensions in the entire metallic framework. The maximum tension found in the simulation of the bilateral balanced occlusion was 3.22 fold higher than the one found in the simulation of the disocclusion in canine guide. The pattern of disocclusion in canine guide is the ideal for implant-supported mandibular complete denture.

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.

FEAST fundamental framework for electronic structure calculations: Reformulation and solution of the muffin-tin problem

NASA Astrophysics Data System (ADS)

Levin, Alan R.; Zhang, Deyin; Polizzi, Eric

2012-11-01

In a recent article Polizzi (2009) [15], the FEAST algorithm has been presented as a general purpose eigenvalue solver which is ideally suited for addressing the numerical challenges in electronic structure calculations. Here, FEAST is presented beyond the “black-box” solver as a fundamental modeling framework which can naturally address the original numerical complexity of the electronic structure problem as formulated by Slater in 1937 [3]. The non-linear eigenvalue problem arising from the muffin-tin decomposition of the real-space domain is first derived and then reformulated to be solved exactly within the FEAST framework. This new framework is presented as a fundamental and practical solution for performing both accurate and scalable electronic structure calculations, bypassing the various issues of using traditional approaches such as linearization and pseudopotential techniques. A finite element implementation of this FEAST framework along with simulation results for various molecular systems is also presented and discussed.

Chimaera simulation of complex states of flowing matter.

PubMed

Succi, S

2016-11-13

We discuss a unified mesoscale framework (chimaera) for the simulation of complex states of flowing matter across scales of motion. The chimaera framework can deal with each of the three macro-meso-micro levels through suitable 'mutations' of the basic mesoscale formulation. The idea is illustrated through selected simulations of complex micro- and nanoscale flows.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

Spontaneous cavitation in a Lennard-Jones liquid: Molecular dynamics simulation and the van der Waals-Cahn-Hilliard gradient theory

NASA Astrophysics Data System (ADS)

Baidakov, Vladimir G.

2016-02-01

The process of bubble nucleation in a Lennard-Jones (LJ) liquid is studied by molecular dynamics (MD) simulation. The bubble nucleation rate J is determined by the mean life-time method at temperatures above that of the triple point in the region of negative pressures. The results of simulation are compared with classical nucleation theory (CNT) and modified classical nucleation theory (MCNT), in which the work of formation of a critical bubble is determined in the framework of the van der Waals-Cahn-Hilliard gradient theory (GT). It has been found that the values of J obtained in MD simulation systematically exceed the data of CNT, and this excess in the nucleation rate reaches 8-10 orders of magnitude close to the triple point temperature. The results of MCNT are in satisfactory agreement with the data of MD simulation. To describe the properties of vapor-phase nuclei in the framework of GT, an equation of state has been built up which describes stable, metastable and labile regions of LJ fluids. The surface tension of critical bubbles γ has been found from CNT and data of MD simulation as a function of the radius of curvature of the surface of tension R*. The dependence γ(R*) has also been calculated from GT. The Tolman length has been determined, which is negative and in modulus equal to ≈(0.1 - 0.2) σ. The paper discusses the applicability of the Tolman formula to the description of the properties of critical nuclei in nucleation.

A sensor simulation framework for the testing and evaluation of external hazard monitors and integrated alerting and notification functions

NASA Astrophysics Data System (ADS)

Uijt de Haag, Maarten; Venable, Kyle; Bezawada, Rajesh; Adami, Tony; Vadlamani, Ananth K.

2009-05-01

This paper discusses a sensor simulator/synthesizer framework that can be used to test and evaluate various sensor integration strategies for the implementation of an External Hazard Monitor (EHM) and Integrated Alerting and Notification (IAN) function as part of NASA's Integrated Intelligent Flight Deck (IIFD) project. The IIFD project under the NASA's Aviation Safety program "pursues technologies related to the flight deck that ensure crew workload and situational awareness are both safely optimized and adapted to the future operational environment as envisioned by NextGen." Within the simulation framework, various inputs to the IIFD and its subsystems, the EHM and IAN, are simulated, synthesized from actual collected data, or played back from actual flight test sensor data. Sensors and avionics included in this framework are TCAS, ADS-B, Forward-Looking Infrared, Vision cameras, GPS, Inertial navigators, EGPWS, Laser Detection and Ranging sensors, altimeters, communication links with ATC, and weather radar. The framework is implemented in Simulink, a modeling language developed by The Mathworks. This modeling language allows for test and evaluation of various sensor and communication link configurations as well as the inclusion of feedback from the pilot on the performance of the aircraft. Specifically, this paper addresses the architecture of the simulator, the sensor model interfaces, the timing and database (environment) aspects of the sensor models, the user interface of the modeling environment, and the various avionics implementations.

A methodology towards virtualisation-based high performance simulation platform supporting multidisciplinary design of complex products

NASA Astrophysics Data System (ADS)

Ren, Lei; Zhang, Lin; Tao, Fei; (Luke) Zhang, Xiaolong; Luo, Yongliang; Zhang, Yabin

2012-08-01

Multidisciplinary design of complex products leads to an increasing demand for high performance simulation (HPS) platforms. One great challenge is how to achieve high efficient utilisation of large-scale simulation resources in distributed and heterogeneous environments. This article reports a virtualisation-based methodology to realise a HPS platform. This research is driven by the issues concerning large-scale simulation resources deployment and complex simulation environment construction, efficient and transparent utilisation of fine-grained simulation resources and high reliable simulation with fault tolerance. A framework of virtualisation-based simulation platform (VSIM) is first proposed. Then the article investigates and discusses key approaches in VSIM, including simulation resources modelling, a method to automatically deploying simulation resources for dynamic construction of system environment, and a live migration mechanism in case of faults in run-time simulation. Furthermore, the proposed methodology is applied to a multidisciplinary design system for aircraft virtual prototyping and some experiments are conducted. The experimental results show that the proposed methodology can (1) significantly improve the utilisation of fine-grained simulation resources, (2) result in a great reduction in deployment time and an increased flexibility for simulation environment construction and (3)achieve fault tolerant simulation.

A Generic Inner-Loop Control Law Structure for Six-Degree-of-Freedom Conceptual Aircraft Design

NASA Technical Reports Server (NTRS)

Cox, Timothy H.; Cotting, M. Christopher

2005-01-01

A generic control system framework for both real-time and batch six-degree-of-freedom simulations is presented. This framework uses a simplified dynamic inversion technique to allow for stabilization and control of any type of aircraft at the pilot interface level. The simulation, designed primarily for the real-time simulation environment, also can be run in a batch mode through a simple guidance interface. Direct vehicle-state acceleration feedback is required with the simplified dynamic inversion technique. The estimation of surface effectiveness within real-time simulation timing constraints also is required. The generic framework provides easily modifiable control variables, allowing flexibility in the variables that the pilot commands. A direct control allocation scheme is used to command aircraft effectors. Primary uses for this system include conceptual and preliminary design of aircraft, when vehicle models are rapidly changing and knowledge of vehicle six-degree-of-freedom performance is required. A simulated airbreathing hypersonic vehicle and simulated high-performance fighter aircraft are used to demonstrate the flexibility and utility of the control system.

A Generic Inner-Loop Control Law Structure for Six-Degree-of-Freedom Conceptual Aircraft Design

NASA Technical Reports Server (NTRS)

Cox, Timothy H.; Cotting, Christopher

2005-01-01

A generic control system framework for both real-time and batch six-degree-of-freedom (6-DOF) simulations is presented. This framework uses a simplified dynamic inversion technique to allow for stabilization and control of any type of aircraft at the pilot interface level. The simulation, designed primarily for the real-time simulation environment, also can be run in a batch mode through a simple guidance interface. Direct vehicle-state acceleration feedback is required with the simplified dynamic inversion technique. The estimation of surface effectiveness within real-time simulation timing constraints also is required. The generic framework provides easily modifiable control variables, allowing flexibility in the variables that the pilot commands. A direct control allocation scheme is used to command aircraft effectors. Primary uses for this system include conceptual and preliminary design of aircraft, when vehicle models are rapidly changing and knowledge of vehicle 6-DOF performance is required. A simulated airbreathing hypersonic vehicle and simulated high-performance fighter aircraft are used to demonstrate the flexibility and utility of the control system.

An Object-Oriented Finite Element Framework for Multiphysics Phase Field Simulations

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

Michael R Tonks; Derek R Gaston; Paul C Millett

2012-01-01

The phase field approach is a powerful and popular method for modeling microstructure evolution. In this work, advanced numerical tools are used to create a phase field framework that facilitates rapid model development. This framework, called MARMOT, is based on Idaho National Laboratory's finite element Multiphysics Object-Oriented Simulation Environment. In MARMOT, the system of phase field partial differential equations (PDEs) are solved simultaneously with PDEs describing additional physics, such as solid mechanics and heat conduction, using the Jacobian-Free Newton Krylov Method. An object-oriented architecture is created by taking advantage of commonalities in phase fields models to facilitate development of newmore » models with very little written code. In addition, MARMOT provides access to mesh and time step adaptivity, reducing the cost for performing simulations with large disparities in both spatial and temporal scales. In this work, phase separation simulations are used to show the numerical performance of MARMOT. Deformation-induced grain growth and void growth simulations are included to demonstrate the muliphysics capability.« less

Modeling of proton-induced radioactivation background in hard X-ray telescopes: Geant4-based simulation and its demonstration by Hitomi ’s measurement in a low Earth orbit

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

Odaka, Hirokazu; Asai, Makoto; Hagino, Kouichi

Hard X-ray astronomical observatories in orbit suffer from a significant amount of background due to radioactivation induced by cosmic-ray protons and/or geomagnetically trapped protons. Within the framework of a full Monte Carlo simulation, we present modeling of in-orbit instrumental background which is dominated by radioactivation. To reduce the computation time required by straightforward simulations of delayed emissions from activated isotopes, we insert a semi-analytical calculation that converts production probabilities of radioactive isotopes by interaction of the primary protons into decay rates at measurement time of all secondary isotopes. Therefore, our simulation method is separated into three steps: (1) simulation ofmore » isotope production, (2) semi-analytical conversion to decay rates, and (3) simulation of decays of the isotopes at measurement time. This method is verified by a simple setup that has a CdTe semiconductor detector, and shows a 100-fold improvement in efficiency over the straightforward simulation. To demonstrate its experimental performance, the simulation framework was tested against data measured with a CdTe sensor in the Hard X-ray Imager onboard the Hitomi X-ray Astronomy Satellite, which was put into a low Earth orbit with an altitude of 570 km and an inclination of 31°, and thus experienced a large amount of irradiation from geomagnetically trapped protons during its passages through the South Atlantic Anomaly. The simulation is able to treat full histories of the proton irradiation and multiple measurement windows. As a result, the simulation results agree very well with the measured data, showing that the measured background is well described by the combination of proton-induced radioactivation of the CdTe detector itself and thick Bi 4Ge 3O 12 scintillator shields, leakage of cosmic X-ray background and albedo gamma-ray radiation, and emissions from naturally contaminated isotopes in the detector system.« less

Modeling of proton-induced radioactivation background in hard X-ray telescopes: Geant4-based simulation and its demonstration by Hitomi ’s measurement in a low Earth orbit

DOE PAGES

Odaka, Hirokazu; Asai, Makoto; Hagino, Kouichi; ...

2018-02-19

Hard X-ray astronomical observatories in orbit suffer from a significant amount of background due to radioactivation induced by cosmic-ray protons and/or geomagnetically trapped protons. Within the framework of a full Monte Carlo simulation, we present modeling of in-orbit instrumental background which is dominated by radioactivation. To reduce the computation time required by straightforward simulations of delayed emissions from activated isotopes, we insert a semi-analytical calculation that converts production probabilities of radioactive isotopes by interaction of the primary protons into decay rates at measurement time of all secondary isotopes. Therefore, our simulation method is separated into three steps: (1) simulation ofmore » isotope production, (2) semi-analytical conversion to decay rates, and (3) simulation of decays of the isotopes at measurement time. This method is verified by a simple setup that has a CdTe semiconductor detector, and shows a 100-fold improvement in efficiency over the straightforward simulation. To demonstrate its experimental performance, the simulation framework was tested against data measured with a CdTe sensor in the Hard X-ray Imager onboard the Hitomi X-ray Astronomy Satellite, which was put into a low Earth orbit with an altitude of 570 km and an inclination of 31°, and thus experienced a large amount of irradiation from geomagnetically trapped protons during its passages through the South Atlantic Anomaly. The simulation is able to treat full histories of the proton irradiation and multiple measurement windows. As a result, the simulation results agree very well with the measured data, showing that the measured background is well described by the combination of proton-induced radioactivation of the CdTe detector itself and thick Bi 4Ge 3O 12 scintillator shields, leakage of cosmic X-ray background and albedo gamma-ray radiation, and emissions from naturally contaminated isotopes in the detector system.« less

Simulation of lithium ion battery replacement in a battery pack for application in electric vehicles

NASA Astrophysics Data System (ADS)

Mathew, M.; Kong, Q. H.; McGrory, J.; Fowler, M.

2017-05-01

The design and optimization of the battery pack in an electric vehicle (EV) is essential for continued integration of EVs into the global market. Reconfigurable battery packs are of significant interest lately as they allow for damaged cells to be removed from the circuit, limiting their impact on the entire pack. This paper provides a simulation framework that models a battery pack and examines the effect of replacing damaged cells with new ones. The cells within the battery pack vary stochastically and the performance of the entire pack is evaluated under different conditions. The results show that by changing out cells in the battery pack, the state of health of the pack can be consistently maintained above a certain threshold value selected by the user. In situations where the cells are checked for replacement at discrete intervals, referred to as maintenance event intervals, it is found that the length of the interval is dependent on the mean time to failure of the individual cells. The simulation framework as well as the results from this paper can be utilized to better optimize lithium ion battery pack design in EVs and make long term deployment of EVs more economically feasible.

Adoption of Test Driven Development and Continuous Integration for the Development of the Trick Simulation Toolkit

NASA Technical Reports Server (NTRS)

Penn, John M.

2013-01-01

This paper describes the adoption of a Test Driven Development approach and a Continuous Integration System in the development of the Trick Simulation Toolkit, a generic simulation development environment for creating high fidelity training and engineering simulations at the NASA/Johnson Space Center and many other NASA facilities. It describes what was learned and the significant benefits seen, such as fast, thorough, and clear test feedback every time code is checked-in to the code repository. It also describes a system that encourages development of code that is much more flexible, maintainable, and reliable. The Trick Simulation Toolkit development environment provides a common architecture for user-defined simulations. Trick builds executable simulations using user-supplied simulation-definition files (S_define) and user supplied "model code". For each Trick-based simulation, Trick automatically provides job scheduling, checkpoint / restore, data-recording, interactive variable manipulation (variable server), and an input-processor. Also included are tools for plotting recorded data and various other supporting tools and libraries. Trick is written in C/C++ and Java and supports both Linux and MacOSX. Prior to adopting this new development approach, Trick testing consisted primarily of running a few large simulations, with the hope that their complexity and scale would exercise most of Trick's code and expose any recently introduced bugs. Unsurprising, this approach yielded inconsistent results. It was obvious that a more systematic, thorough approach was required. After seeing examples of some Java-based projects that used the JUnit test framework, similar test frameworks for C and C++ were sought. Several were found, all clearly inspired by JUnit. Googletest, a freely available Open source testing framework, was selected as the most appropriate and capable. The new approach was implemented while rewriting the Trick memory management component, to eliminate a fundamental design flaw. The benefits became obvious almost immediately, not just in the correctness of the individual functions and classes but also in the correctness and flexibility being added to the overall design. Creating code to be testable, and testing as it was created resulted not only in better working code, but also in better-organized, flexible, and readable (i.e., articulate) code. This was, in essence the Test-driven development (TDD) methodology created by Kent Beck. Seeing the benefits of Test Driven Development, other Trick components were refactored to make them more testable and tests were designed and implemented for them.

A continuum dislocation dynamics framework for plasticity of polycrystalline materials

NASA Astrophysics Data System (ADS)

Askari, Hesam Aldin

The objective of this research is to investigate the mechanical response of polycrystals in different settings to identify the mechanisms that give rise to specific response observed in the deformation process. Particularly the large deformation of magnesium alloys and yield properties of copper in small scales are investigated. We develop a continuum dislocation dynamics framework based on dislocation mechanisms and interaction laws and implement this formulation in a viscoplastic self-consistent scheme to obtain the mechanical response in a polycrystalline system. The versatility of this method allows various applications in the study of problems involving large deformation, study of microstructure and its evolution, superplasticity, study of size effect in polycrystals and stochastic plasticity. The findings from the numerical solution are compared to the experimental results to validate the simulation results. We apply this framework to study the deformation mechanisms in magnesium alloys at moderate to fast strain rates and room temperature to 450 °C. Experiments for the same range of strain rates and temperatures were carried out to obtain the mechanical and material properties, and to compare with the numerical results. The numerical approach for magnesium is divided into four main steps; 1) room temperature unidirectional loading 2) high temperature deformation without grain boundary sliding 3) high temperature with grain boundary sliding mechanism 4) room temperature cyclic loading. We demonstrate the capability of our modeling approach in prediction of mechanical properties and texture evolution and discuss the improvement obtained by using the continuum dislocation dynamics method. The framework was also applied to nano-sized copper polycrystals to study the yield properties at small scales and address the observed yield scatter. By combining our developed method with a Monte Carlo simulation approach, the stochastic plasticity at small length scales was studied and the sources of the uncertainty in the polycrystalline structure are discussed. Our results suggest that the stochastic response is mainly because of a) stochastic plasticity due to dislocation substructure inside crystals and b) the microstructure of the polycrystalline material. The extent of the uncertainty is correlated to the "effective cell length" in the sampling procedure whether using simulations and experimental approach.

A Bayesian framework to estimate diversification rates and their variation through time and space

PubMed Central

2011-01-01

Background Patterns of species diversity are the result of speciation and extinction processes, and molecular phylogenetic data can provide valuable information to derive their variability through time and across clades. Bayesian Markov chain Monte Carlo methods offer a promising framework to incorporate phylogenetic uncertainty when estimating rates of diversification. Results We introduce a new approach to estimate diversification rates in a Bayesian framework over a distribution of trees under various constant and variable rate birth-death and pure-birth models, and test it on simulated phylogenies. Furthermore, speciation and extinction rates and their posterior credibility intervals can be estimated while accounting for non-random taxon sampling. The framework is particularly suitable for hypothesis testing using Bayes factors, as we demonstrate analyzing dated phylogenies of Chondrostoma (Cyprinidae) and Lupinus (Fabaceae). In addition, we develop a model that extends the rate estimation to a meta-analysis framework in which different data sets are combined in a single analysis to detect general temporal and spatial trends in diversification. Conclusions Our approach provides a flexible framework for the estimation of diversification parameters and hypothesis testing while simultaneously accounting for uncertainties in the divergence times and incomplete taxon sampling. PMID:22013891

A comprehensive simulation framework for imaging single particles and biomolecules at the European X-ray Free-Electron Laser

PubMed Central

Yoon, Chun Hong; Yurkov, Mikhail V.; Schneidmiller, Evgeny A.; Samoylova, Liubov; Buzmakov, Alexey; Jurek, Zoltan; Ziaja, Beata; Santra, Robin; Loh, N. Duane; Tschentscher, Thomas; Mancuso, Adrian P.

2016-01-01

The advent of newer, brighter, and more coherent X-ray sources, such as X-ray Free-Electron Lasers (XFELs), represents a tremendous growth in the potential to apply coherent X-rays to determine the structure of materials from the micron-scale down to the Angstrom-scale. There is a significant need for a multi-physics simulation framework to perform source-to-detector simulations for a single particle imaging experiment, including (i) the multidimensional simulation of the X-ray source; (ii) simulation of the wave-optics propagation of the coherent XFEL beams; (iii) atomistic modelling of photon-material interactions; (iv) simulation of the time-dependent diffraction process, including incoherent scattering; (v) assembling noisy and incomplete diffraction intensities into a three-dimensional data set using the Expansion-Maximisation-Compression (EMC) algorithm and (vi) phase retrieval to obtain structural information. We demonstrate the framework by simulating a single-particle experiment for a nitrogenase iron protein using parameters of the SPB/SFX instrument of the European XFEL. This exercise demonstrably yields interpretable consequences for structure determination that are crucial yet currently unavailable for experiment design. PMID:27109208

A comprehensive simulation framework for imaging single particles and biomolecules at the European X-ray Free-Electron Laser

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

Yoon, Chun Hong; Yurkov, Mikhail V.; Schneidmiller, Evgeny A.

The advent of newer, brighter, and more coherent X-ray sources, such as X-ray Free-Electron Lasers (XFELs), represents a tremendous growth in the potential to apply coherent X-rays to determine the structure of materials from the micron-scale down to the Angstrom-scale. There is a significant need for a multi-physics simulation framework to perform source-to-detector simulations for a single particle imaging experiment, including (i) the multidimensional simulation of the X-ray source; (ii) simulation of the wave-optics propagation of the coherent XFEL beams; (iii) atomistic modelling of photon-material interactions; (iv) simulation of the time-dependent diffraction process, including incoherent scattering; (v) assembling noisy andmore » incomplete diffraction intensities into a three-dimensional data set using the Expansion-Maximisation-Compression (EMC) algorithm and (vi) phase retrieval to obtain structural information. Furthermore, we demonstrate the framework by simulating a single-particle experiment for a nitrogenase iron protein using parameters of the SPB/SFX instrument of the European XFEL. This exercise demonstrably yields interpretable consequences for structure determination that are crucial yet currently unavailable for experiment design.« less

A comprehensive simulation framework for imaging single particles and biomolecules at the European X-ray Free-Electron Laser

DOE PAGES

Yoon, Chun Hong; Yurkov, Mikhail V.; Schneidmiller, Evgeny A.; ...

2016-04-25

The advent of newer, brighter, and more coherent X-ray sources, such as X-ray Free-Electron Lasers (XFELs), represents a tremendous growth in the potential to apply coherent X-rays to determine the structure of materials from the micron-scale down to the Angstrom-scale. There is a significant need for a multi-physics simulation framework to perform source-to-detector simulations for a single particle imaging experiment, including (i) the multidimensional simulation of the X-ray source; (ii) simulation of the wave-optics propagation of the coherent XFEL beams; (iii) atomistic modelling of photon-material interactions; (iv) simulation of the time-dependent diffraction process, including incoherent scattering; (v) assembling noisy andmore » incomplete diffraction intensities into a three-dimensional data set using the Expansion-Maximisation-Compression (EMC) algorithm and (vi) phase retrieval to obtain structural information. Furthermore, we demonstrate the framework by simulating a single-particle experiment for a nitrogenase iron protein using parameters of the SPB/SFX instrument of the European XFEL. This exercise demonstrably yields interpretable consequences for structure determination that are crucial yet currently unavailable for experiment design.« less

Sensitivities of simulated satellite views of clouds to subgrid-scale overlap and condensate heterogeneity

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

Hillman, Benjamin R.; Marchand, Roger T.; Ackerman, Thomas P.

Satellite simulators are often used to account for limitations in satellite retrievals of cloud properties in comparisons between models and satellite observations. The purpose of the simulator framework is to enable more robust evaluation of model cloud properties, so that di erences between models and observations can more con dently be attributed to model errors. However, these simulators are subject to uncertainties themselves. A fundamental uncertainty exists in connecting the spatial scales at which cloud properties are retrieved with those at which clouds are simulated in global models. In this study, we create a series of sensitivity tests using 4more » km global model output from the Multiscale Modeling Framework to evaluate the sensitivity of simulated satellite retrievals when applied to climate models whose grid spacing is many tens to hundreds of kilometers. In particular, we examine the impact of cloud and precipitation overlap and of condensate spatial variability. We find the simulated retrievals are sensitive to these assumptions. Specifically, using maximum-random overlap with homogeneous cloud and precipitation condensate, which is often used in global climate models, leads to large errors in MISR and ISCCP-simulated cloud cover and in CloudSat-simulated radar reflectivity. To correct for these errors, an improved treatment of unresolved clouds and precipitation is implemented for use with the simulator framework and is shown to substantially reduce the identified errors.« less

Heuristic Identification of Biological Architectures for Simulating Complex Hierarchical Genetic Interactions

PubMed Central

Moore, Jason H; Amos, Ryan; Kiralis, Jeff; Andrews, Peter C

2015-01-01

Simulation plays an essential role in the development of new computational and statistical methods for the genetic analysis of complex traits. Most simulations start with a statistical model using methods such as linear or logistic regression that specify the relationship between genotype and phenotype. This is appealing due to its simplicity and because these statistical methods are commonly used in genetic analysis. It is our working hypothesis that simulations need to move beyond simple statistical models to more realistically represent the biological complexity of genetic architecture. The goal of the present study was to develop a prototype genotype–phenotype simulation method and software that are capable of simulating complex genetic effects within the context of a hierarchical biology-based framework. Specifically, our goal is to simulate multilocus epistasis or gene–gene interaction where the genetic variants are organized within the framework of one or more genes, their regulatory regions and other regulatory loci. We introduce here the Heuristic Identification of Biological Architectures for simulating Complex Hierarchical Interactions (HIBACHI) method and prototype software for simulating data in this manner. This approach combines a biological hierarchy, a flexible mathematical framework, a liability threshold model for defining disease endpoints, and a heuristic search strategy for identifying high-order epistatic models of disease susceptibility. We provide several simulation examples using genetic models exhibiting independent main effects and three-way epistatic effects. PMID:25395175

Realistic simulations of a cyclotron spiral inflector within a particle-in-cell framework

NASA Astrophysics Data System (ADS)

Winklehner, Daniel; Adelmann, Andreas; Gsell, Achim; Kaman, Tulin; Campo, Daniela

2017-12-01

We present an upgrade to the particle-in-cell ion beam simulation code opal that enables us to run highly realistic simulations of the spiral inflector system of a compact cyclotron. This upgrade includes a new geometry class and field solver that can handle the complicated boundary conditions posed by the electrode system in the central region of the cyclotron both in terms of particle termination, and calculation of self-fields. Results are benchmarked against the analytical solution of a coasting beam. As a practical example, the spiral inflector and the first revolution in a 1 MeV /amu test cyclotron, located at Best Cyclotron Systems, Inc., are modeled and compared to the simulation results. We find that opal can now handle arbitrary boundary geometries with relative ease. Simulated injection efficiencies and beam shape compare well with measured efficiencies and a preliminary measurement of the beam distribution after injection.

Linking MODFLOW with an agent-based land-use model to support decision making

USGS Publications Warehouse

Reeves, H.W.; Zellner, M.L.

2010-01-01

The U.S. Geological Survey numerical groundwater flow model, MODFLOW, was integrated with an agent-based land-use model to yield a simulator for environmental planning studies. Ultimately, this integrated simulator will be used as a means to organize information, illustrate potential system responses, and facilitate communication within a participatory modeling framework. Initial results show the potential system response to different zoning policy scenarios in terms of the spatial patterns of development, which is referred to as urban form, and consequent impacts on groundwater levels. These results illustrate how the integrated simulator is capable of representing the complexity of the system. From a groundwater modeling perspective, the most important aspect of the integration is that the simulator generates stresses on the groundwater system within the simulation in contrast to the traditional approach that requires the user to specify the stresses through time. Copyright ?? 2010 The Author(s). Journal compilation ?? 2010 National Ground Water Association.

XIMPOL: a new x-ray polarimetry observation-simulation and analysis framework

NASA Astrophysics Data System (ADS)

Omodei, Nicola; Baldini, Luca; Pesce-Rollins, Melissa; di Lalla, Niccolò

2017-08-01

We present a new simulation framework, XIMPOL, based on the python programming language and the Scipy stack, specifically developed for X-ray polarimetric applications. XIMPOL is not tied to any specific mission or instrument design and is meant to produce fast and yet realistic observation-simulations, given as basic inputs: (i) an arbitrary source model including morphological, temporal, spectral and polarimetric information, and (ii) the response functions of the detector under study, i.e., the effective area, the energy dispersion, the point-spread function and the modulation factor. The format of the response files is OGIP compliant, and the framework has the capability of producing output files that can be directly fed into the standard visualization and analysis tools used by the X-ray community, including XSPEC which make it a useful tool not only for simulating physical systems, but also to develop and test end-to-end analysis chains.

A novel framework for virtual prototyping of rehabilitation exoskeletons.

PubMed

Agarwal, Priyanshu; Kuo, Pei-Hsin; Neptune, Richard R; Deshpande, Ashish D

2013-06-01

Human-worn rehabilitation exoskeletons have the potential to make therapeutic exercises increasingly accessible to disabled individuals while reducing the cost and labor involved in rehabilitation therapy. In this work, we propose a novel human-model-in-the-loop framework for virtual prototyping (design, control and experimentation) of rehabilitation exoskeletons by merging computational musculoskeletal analysis with simulation-based design techniques. The framework allows to iteratively optimize design and control algorithm of an exoskeleton using simulation. We introduce biomechanical, morphological, and controller measures to quantify the performance of the device for optimization study. Furthermore, the framework allows one to carry out virtual experiments for testing specific "what-if" scenarios to quantify device performance and recovery progress. To illustrate the application of the framework, we present a case study wherein the design and analysis of an index-finger exoskeleton is carried out using the proposed framework.

A Framework for the Design of Computer-Assisted Simulation Training for Complex Police Situations

ERIC Educational Resources Information Center

Söderström, Tor; Åström, Jan; Anderson, Greg; Bowles, Ron

2014-01-01

Purpose: The purpose of this paper is to report progress concerning the design of a computer-assisted simulation training (CAST) platform for developing decision-making skills in police students. The overarching aim is to outline a theoretical framework for the design of CAST to facilitate police students' development of search techniques in…

Computer-Simulation Surrogates for Optimization: Application to Trapezoidal Ducts and Axisymmetric Bodies

NASA Technical Reports Server (NTRS)

Otto, John C.; Paraschivoiu, Marius; Yesilyurt, Serhat; Patera, Anthony T.

1995-01-01

Engineering design and optimization efforts using computational systems rapidly become resource intensive. The goal of the surrogate-based approach is to perform a complete optimization with limited resources. In this paper we present a Bayesian-validated approach that informs the designer as to how well the surrogate performs; in particular, our surrogate framework provides precise (albeit probabilistic) bounds on the errors incurred in the surrogate-for-simulation substitution. The theory and algorithms of our computer{simulation surrogate framework are first described. The utility of the framework is then demonstrated through two illustrative examples: maximization of the flowrate of fully developed ow in trapezoidal ducts; and design of an axisymmetric body that achieves a target Stokes drag.

An Evaluation of the High Level Architecture (HLA) as a Framework for NASA Modeling and Simulation

NASA Technical Reports Server (NTRS)

Reid, Michael R.; Powers, Edward I. (Technical Monitor)

2000-01-01

The High Level Architecture (HLA) is a current US Department of Defense and an industry (IEEE-1516) standard architecture for modeling and simulations. It provides a framework and set of functional rules and common interfaces for integrating separate and disparate simulators into a larger simulation. The goal of the HLA is to reduce software costs by facilitating the reuse of simulation components and by providing a runtime infrastructure to manage the simulations. In order to evaluate the applicability of the HLA as a technology for NASA space mission simulations, a Simulations Group at Goddard Space Flight Center (GSFC) conducted a study of the HLA and developed a simple prototype HLA-compliant space mission simulator. This paper summarizes the prototyping effort and discusses the potential usefulness of the HLA in the design and planning of future NASA space missions with a focus on risk mitigation and cost reduction.

A Novel Switching-Based Control Framework for Improved Task Performance in Teleoperation System With Asymmetric Time-Varying Delays.

PubMed

Zhai, Di-Hua; Xia, Yuanqing

2018-02-01

This paper addresses the adaptive control for task-space teleoperation systems with constrained predefined synchronization error, where a novel switched control framework is investigated. Based on multiple Lyapunov-Krasovskii functionals method, the stability of the resulting closed-loop system is established in the sense of state-independent input-to-output stability. Compared with previous work, the developed method can simultaneously handle the unknown kinematics/dynamics, asymmetric varying time delays, and prescribed performance control in a unified framework. It is shown that the developed controller can guarantee the prescribed transient-state and steady-state synchronization performances between the master and slave robots, which is demonstrated by the simulation study.

Wavelet neural networks: a practical guide.

PubMed

Alexandridis, Antonios K; Zapranis, Achilleas D

2013-06-01

Wavelet networks (WNs) are a new class of networks which have been used with great success in a wide range of applications. However a general accepted framework for applying WNs is missing from the literature. In this study, we present a complete statistical model identification framework in order to apply WNs in various applications. The following subjects were thoroughly examined: the structure of a WN, training methods, initialization algorithms, variable significance and variable selection algorithms, model selection methods and finally methods to construct confidence and prediction intervals. In addition the complexity of each algorithm is discussed. Our proposed framework was tested in two simulated cases, in one chaotic time series described by the Mackey-Glass equation and in three real datasets described by daily temperatures in Berlin, daily wind speeds in New York and breast cancer classification. Our results have shown that the proposed algorithms produce stable and robust results indicating that our proposed framework can be applied in various applications. Copyright © 2013 Elsevier Ltd. All rights reserved.

A mathematical model and computational framework for three-dimensional chondrocyte cell growth in a porous tissue scaffold placed inside a bi-directional flow perfusion bioreactor.

PubMed

Shakhawath Hossain, Md; Bergstrom, D J; Chen, X B

2015-12-01

The in vitro chondrocyte cell culture for cartilage tissue regeneration in a perfusion bioreactor is a complex process. Mathematical modeling and computational simulation can provide important insights into the culture process, which would be helpful for selecting culture conditions to improve the quality of the developed tissue constructs. However, simulation of the cell culture process is a challenging task due to the complicated interaction between the cells and local fluid flow and nutrient transport inside the complex porous scaffolds. In this study, a mathematical model and computational framework has been developed to simulate the three-dimensional (3D) cell growth in a porous scaffold placed inside a bi-directional flow perfusion bioreactor. The model was developed by taking into account the two-way coupling between the cell growth and local flow field and associated glucose concentration, and then used to perform a resolved-scale simulation based on the lattice Boltzmann method (LBM). The simulation predicts the local shear stress, glucose concentration, and 3D cell growth inside the porous scaffold for a period of 30 days of cell culture. The predicted cell growth rate was in good overall agreement with the experimental results available in the literature. This study demonstrates that the bi-directional flow perfusion culture system can enhance the homogeneity of the cell growth inside the scaffold. The model and computational framework developed is capable of providing significant insight into the culture process, thus providing a powerful tool for the design and optimization of the cell culture process. © 2015 Wiley Periodicals, Inc.

A framework for plasticity implementation on the SpiNNaker neural architecture.

PubMed

Galluppi, Francesco; Lagorce, Xavier; Stromatias, Evangelos; Pfeiffer, Michael; Plana, Luis A; Furber, Steve B; Benosman, Ryad B

2014-01-01

Many of the precise biological mechanisms of synaptic plasticity remain elusive, but simulations of neural networks have greatly enhanced our understanding of how specific global functions arise from the massively parallel computation of neurons and local Hebbian or spike-timing dependent plasticity rules. For simulating large portions of neural tissue, this has created an increasingly strong need for large scale simulations of plastic neural networks on special purpose hardware platforms, because synaptic transmissions and updates are badly matched to computing style supported by current architectures. Because of the great diversity of biological plasticity phenomena and the corresponding diversity of models, there is a great need for testing various hypotheses about plasticity before committing to one hardware implementation. Here we present a novel framework for investigating different plasticity approaches on the SpiNNaker distributed digital neural simulation platform. The key innovation of the proposed architecture is to exploit the reconfigurability of the ARM processors inside SpiNNaker, dedicating a subset of them exclusively to process synaptic plasticity updates, while the rest perform the usual neural and synaptic simulations. We demonstrate the flexibility of the proposed approach by showing the implementation of a variety of spike- and rate-based learning rules, including standard Spike-Timing dependent plasticity (STDP), voltage-dependent STDP, and the rate-based BCM rule. We analyze their performance and validate them by running classical learning experiments in real time on a 4-chip SpiNNaker board. The result is an efficient, modular, flexible and scalable framework, which provides a valuable tool for the fast and easy exploration of learning models of very different kinds on the parallel and reconfigurable SpiNNaker system.

A framework for plasticity implementation on the SpiNNaker neural architecture

PubMed Central

Galluppi, Francesco; Lagorce, Xavier; Stromatias, Evangelos; Pfeiffer, Michael; Plana, Luis A.; Furber, Steve B.; Benosman, Ryad B.

2015-01-01

Many of the precise biological mechanisms of synaptic plasticity remain elusive, but simulations of neural networks have greatly enhanced our understanding of how specific global functions arise from the massively parallel computation of neurons and local Hebbian or spike-timing dependent plasticity rules. For simulating large portions of neural tissue, this has created an increasingly strong need for large scale simulations of plastic neural networks on special purpose hardware platforms, because synaptic transmissions and updates are badly matched to computing style supported by current architectures. Because of the great diversity of biological plasticity phenomena and the corresponding diversity of models, there is a great need for testing various hypotheses about plasticity before committing to one hardware implementation. Here we present a novel framework for investigating different plasticity approaches on the SpiNNaker distributed digital neural simulation platform. The key innovation of the proposed architecture is to exploit the reconfigurability of the ARM processors inside SpiNNaker, dedicating a subset of them exclusively to process synaptic plasticity updates, while the rest perform the usual neural and synaptic simulations. We demonstrate the flexibility of the proposed approach by showing the implementation of a variety of spike- and rate-based learning rules, including standard Spike-Timing dependent plasticity (STDP), voltage-dependent STDP, and the rate-based BCM rule. We analyze their performance and validate them by running classical learning experiments in real time on a 4-chip SpiNNaker board. The result is an efficient, modular, flexible and scalable framework, which provides a valuable tool for the fast and easy exploration of learning models of very different kinds on the parallel and reconfigurable SpiNNaker system. PMID:25653580

OpenDanubia - An integrated, modular simulation system to support regional water resource management

NASA Astrophysics Data System (ADS)

Muerth, M.; Waldmann, D.; Heinzeller, C.; Hennicker, R.; Mauser, W.

2012-04-01

The already completed, multi-disciplinary research project GLOWA-Danube has developed a regional scale, integrated modeling system, which was successfully applied on the 77,000 km2 Upper Danube basin to investigate the impact of Global Change on both the natural and anthropogenic water cycle. At the end of the last project phase, the integrated modeling system was transferred into the open source project OpenDanubia, which now provides both the core system as well as all major model components to the general public. First, this will enable decision makers from government, business and management to use OpenDanubia as a tool for proactive management of water resources in the context of global change. Secondly, the model framework to support integrated simulations and all simulation models developed for OpenDanubia in the scope of GLOWA-Danube are further available for future developments and research questions. OpenDanubia allows for the investigation of water-related scenarios considering different ecological and economic aspects to support both scientists and policy makers to design policies for sustainable environmental management. OpenDanubia is designed as a framework-based, distributed system. The model system couples spatially distributed physical and socio-economic process during run-time, taking into account their mutual influence. To simulate the potential future impacts of Global Change on agriculture, industrial production, water supply, households and tourism businesses, so-called deep actor models are implemented in OpenDanubia. All important water-related fluxes and storages in the natural environment are implemented in OpenDanubia as spatially explicit, process-based modules. This includes the land surface water and energy balance, dynamic plant water uptake, ground water recharge and flow as well as river routing and reservoirs. Although the complete system is relatively demanding on data requirements and hardware requirements, the modular structure and the generic core system (Core Framework, Actor Framework) allows the application in new regions and the selection of a reduced number of modules for simulation. As part of the Open Source Initiative in GLOWA-Danube (opendanubia.glowa-danube.de) a comprehensive documentation for the system installation was created and both the program code of the framework and of all major components is licensed under the GNU General Public License. In addition, some helpful programs and scripts necessary for the operation and processing of input and result data sets are provided.

Parameters of an avalanche of runaway electrons in air under atmospheric pressure

NASA Astrophysics Data System (ADS)

Oreshkin, E. V.

2018-01-01

The features of runaway-electron avalanches developing in air under atmospheric pressures are investigated in the framework of a three-dimensional numerical simulation. The simulation results indicate that an avalanche of this type can be characterized, besides the time and length of its exponential growth, by the propagation velocity and by the average kinetic energy of the runaway electrons. It is shown that these parameters obey the similarity laws applied to gas discharges.

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

Nord, B.; Amara, A.; Refregier, A.

The nature of dark matter, dark energy and large-scale gravity pose some of the most pressing questions in cosmology today. These fundamental questions require highly precise measurements, and a number of wide-field spectroscopic survey instruments are being designed to meet this requirement. A key component in these experiments is the development of a simulation tool to forecast science performance, define requirement flow-downs, optimize implementation, demonstrate feasibility, and prepare for exploitation. We present SPOKES (SPectrOscopic KEn Simulation), an end-to-end simulation facility for spectroscopic cosmological surveys designed to address this challenge. SPOKES is based on an integrated infrastructure, modular function organization, coherentmore » data handling and fast data access. These key features allow reproducibility of pipeline runs, enable ease of use and provide flexibility to update functions within the pipeline. The cyclic nature of the pipeline offers the possibility to make the science output an efficient measure for design optimization and feasibility testing. We present the architecture, first science, and computational performance results of the simulation pipeline. The framework is general, but for the benchmark tests, we use the Dark Energy Spectrometer (DESpec), one of the early concepts for the upcoming project, the Dark Energy Spectroscopic Instrument (DESI). As a result, we discuss how the SPOKES framework enables a rigorous process to optimize and exploit spectroscopic survey experiments in order to derive high-precision cosmological measurements optimally.« less

Testing Land-Vegetation retrieval algorithms for the ICESat-2 mission

NASA Astrophysics Data System (ADS)

Zhou, T.; Popescu, S. C.

2017-12-01

The upcoming spaceborne satellite, the Ice, Cloud and land Elevation Satellite 2 (ICESat-2), will provide topography and canopy profiles at the global scale using photon counting LiDAR. To prepare for the mission launch, the aim of this research is to develop a framework for retrieving ground and canopy height in different forest types and noise levels using two ICESat-2 testbed sensor data: MABEL (Multiple Altimeter Beam Experimental Lidar) data and simulated ICESat-2 data. The first step of the framework is to reduce as many noise photons as possible through grid statistical methods and cluster analysis. Subsequently, we employed the overlapping moving windows and estimated quantile heights in each window to characterize the possible ground and canopy top using the filtered photons. Both MABEL and simulated ICESat-2 data generated satisfactory results with reasonable accuracy, while the results of simulated ICESat-2 data were better than that of MABEL data with smaller root mean square errors (RMSEs). For example, the RMSEs of canopy top identification in various vegetation using simulated ICESat-2 data were less than 3.78 m comparing to 6.48 m for the MABE data. It is anticipated that the methodology will advance data processing of the ICESat-2 mission and expand potential applications of ICESat-2 data once available such as mapping vegetation canopy heights.

GridLAB-D: An Agent-Based Simulation Framework for Smart Grids

DOE PAGES

Chassin, David P.; Fuller, Jason C.; Djilali, Ned

2014-01-01

Simulation of smart grid technologies requires a fundamentally new approach to integrated modeling of power systems, energy markets, building technologies, and the plethora of other resources and assets that are becoming part of modern electricity production, delivery, and consumption systems. As a result, the US Department of Energy’s Office of Electricity commissioned the development of a new type of power system simulation tool called GridLAB-D that uses an agent-based approach to simulating smart grids. This paper presents the numerical methods and approach to time-series simulation used by GridLAB-D and reviews applications in power system studies, market design, building control systemmore » design, and integration of wind power in a smart grid.« less

GridLAB-D: An Agent-Based Simulation Framework for Smart Grids

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

Chassin, David P.; Fuller, Jason C.; Djilali, Ned

2014-06-23

Simulation of smart grid technologies requires a fundamentally new approach to integrated modeling of power systems, energy markets, building technologies, and the plethora of other resources and assets that are becoming part of modern electricity production, delivery, and consumption systems. As a result, the US Department of Energy’s Office of Electricity commissioned the development of a new type of power system simulation tool called GridLAB-D that uses an agent-based approach to simulating smart grids. This paper presents the numerical methods and approach to time-series simulation used by GridLAB-D and reviews applications in power system studies, market design, building control systemmore » design, and integration of wind power in a smart grid.« less

Development of the CELSS emulator at NASA. Johnson Space Center

NASA Technical Reports Server (NTRS)

Cullingford, Hatice S.

1990-01-01

The Closed Ecological Life Support System (CELSS) Emulator is under development. It will be used to investigate computer simulations of integrated CELSS operations involving humans, plants, and process machinery. Described here is Version 1.0 of the CELSS Emulator that was initiated in 1988 on the Johnson Space Center (JSC) Multi Purpose Applications Console Test Bed as the simulation framework. The run model of the simulation system now contains a CELSS model called BLSS. The CELSS simulator empowers us to generate model data sets, store libraries of results for further analysis, and also display plots of model variables as a function of time. The progress of the project is presented with sample test runs and simulation display pages.

Metascalable molecular dynamics simulation of nano-mechano-chemistry

NASA Astrophysics Data System (ADS)

Shimojo, F.; Kalia, R. K.; Nakano, A.; Nomura, K.; Vashishta, P.

2008-07-01

We have developed a metascalable (or 'design once, scale on new architectures') parallel application-development framework for first-principles based simulations of nano-mechano-chemical processes on emerging petaflops architectures based on spatiotemporal data locality principles. The framework consists of (1) an embedded divide-and-conquer (EDC) algorithmic framework based on spatial locality to design linear-scaling algorithms, (2) a space-time-ensemble parallel (STEP) approach based on temporal locality to predict long-time dynamics, and (3) a tunable hierarchical cellular decomposition (HCD) parallelization framework to map these scalable algorithms onto hardware. The EDC-STEP-HCD framework exposes and expresses maximal concurrency and data locality, thereby achieving parallel efficiency as high as 0.99 for 1.59-billion-atom reactive force field molecular dynamics (MD) and 17.7-million-atom (1.56 trillion electronic degrees of freedom) quantum mechanical (QM) MD in the framework of the density functional theory (DFT) on adaptive multigrids, in addition to 201-billion-atom nonreactive MD, on 196 608 IBM BlueGene/L processors. We have also used the framework for automated execution of adaptive hybrid DFT/MD simulation on a grid of six supercomputers in the US and Japan, in which the number of processors changed dynamically on demand and tasks were migrated according to unexpected faults. The paper presents the application of the framework to the study of nanoenergetic materials: (1) combustion of an Al/Fe2O3 thermite and (2) shock initiation and reactive nanojets at a void in an energetic crystal.

Direct simulation Monte Carlo method for gas flows in micro-channels with bends with added curvature

NASA Astrophysics Data System (ADS)

Tisovský, Tomáš; Vít, Tomáš

Gas flows in micro-channels are simulated using an open source Direct Simulation Monte Carlo (DSMC) code dsmcFOAM for general application to rarefied gas flow written within the framework of the open source C++ toolbox called OpenFOAM. Aim of this paper is to investigate the flow in micro-channel with bend with added curvature. Results are compared with flows in channel without added curvature and equivalent straight channel. Effects of micro-channel bend was already thoroughly investigated by White et al. Geometry proposed by White is also used here for refference.

Quasi-optical simulation of the electron cyclotron plasma heating in a mirror magnetic trap

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

Shalashov, A. G., E-mail: ags@appl.sci-nnov.ru; Balakin, A. A.; Khusainov, T. A.

The resonance microwave plasma heating in a large-scale open magnetic trap is simulated taking into account all the basic wave effects during the propagation of short-wavelength wave beams (diffraction, dispersion, and aberration) within the framework of the consistent quasi-optical approximation of Maxwell’s equations. The quasi-optical method is generalized to the case of inhomogeneous media with absorption dispersion, a new form of the quasi-optical equation is obtained, the efficient method for numerical integration is found, and simulation results are verified on the GDT facility (Novosibirsk).

A Simulation Modeling Approach Method Focused on the Refrigerated Warehouses Using Design of Experiment

NASA Astrophysics Data System (ADS)

Cho, G. S.

2017-09-01

For performance optimization of Refrigerated Warehouses, design parameters are selected based on the physical parameters such as number of equipment and aisles, speeds of forklift for ease of modification. This paper provides a comprehensive framework approach for the system design of Refrigerated Warehouses. We propose a modeling approach which aims at the simulation optimization so as to meet required design specifications using the Design of Experiment (DOE) and analyze a simulation model using integrated aspect-oriented modeling approach (i-AOMA). As a result, this suggested method can evaluate the performance of a variety of Refrigerated Warehouses operations.

A two-step hierarchical hypothesis set testing framework, with applications to gene expression data on ordered categories

PubMed Central

2014-01-01

Background In complex large-scale experiments, in addition to simultaneously considering a large number of features, multiple hypotheses are often being tested for each feature. This leads to a problem of multi-dimensional multiple testing. For example, in gene expression studies over ordered categories (such as time-course or dose-response experiments), interest is often in testing differential expression across several categories for each gene. In this paper, we consider a framework for testing multiple sets of hypothesis, which can be applied to a wide range of problems. Results We adopt the concept of the overall false discovery rate (OFDR) for controlling false discoveries on the hypothesis set level. Based on an existing procedure for identifying differentially expressed gene sets, we discuss a general two-step hierarchical hypothesis set testing procedure, which controls the overall false discovery rate under independence across hypothesis sets. In addition, we discuss the concept of the mixed-directional false discovery rate (mdFDR), and extend the general procedure to enable directional decisions for two-sided alternatives. We applied the framework to the case of microarray time-course/dose-response experiments, and proposed three procedures for testing differential expression and making multiple directional decisions for each gene. Simulation studies confirm the control of the OFDR and mdFDR by the proposed procedures under independence and positive correlations across genes. Simulation results also show that two of our new procedures achieve higher power than previous methods. Finally, the proposed methodology is applied to a microarray dose-response study, to identify 17 β-estradiol sensitive genes in breast cancer cells that are induced at low concentrations. Conclusions The framework we discuss provides a platform for multiple testing procedures covering situations involving two (or potentially more) sources of multiplicity. The framework is easy to use and adaptable to various practical settings that frequently occur in large-scale experiments. Procedures generated from the framework are shown to maintain control of the OFDR and mdFDR, quantities that are especially relevant in the case of multiple hypothesis set testing. The procedures work well in both simulations and real datasets, and are shown to have better power than existing methods. PMID:24731138

Evaluation of regional climate simulations for air quality modelling purposes

NASA Astrophysics Data System (ADS)

Menut, Laurent; Tripathi, Om P.; Colette, Augustin; Vautard, Robert; Flaounas, Emmanouil; Bessagnet, Bertrand

2013-05-01

In order to evaluate the future potential benefits of emission regulation on regional air quality, while taking into account the effects of climate change, off-line air quality projection simulations are driven using weather forcing taken from regional climate models. These regional models are themselves driven by simulations carried out using global climate models (GCM) and economical scenarios. Uncertainties and biases in climate models introduce an additional "climate modeling" source of uncertainty that is to be added to all other types of uncertainties in air quality modeling for policy evaluation. In this article we evaluate the changes in air quality-related weather variables induced by replacing reanalyses-forced by GCM-forced regional climate simulations. As an example we use GCM simulations carried out in the framework of the ERA-interim programme and of the CMIP5 project using the Institut Pierre-Simon Laplace climate model (IPSLcm), driving regional simulations performed in the framework of the EURO-CORDEX programme. In summer, we found compensating deficiencies acting on photochemistry: an overestimation by GCM-driven weather due to a positive bias in short-wave radiation, a negative bias in wind speed, too many stagnant episodes, and a negative temperature bias. In winter, air quality is mostly driven by dispersion, and we could not identify significant differences in either wind or planetary boundary layer height statistics between GCM-driven and reanalyses-driven regional simulations. However, precipitation appears largely overestimated in GCM-driven simulations, which could significantly affect the simulation of aerosol concentrations. The identification of these biases will help interpreting results of future air quality simulations using these data. Despite these, we conclude that the identified differences should not lead to major difficulties in using GCM-driven regional climate simulations for air quality projections.

Generic framework for mining cellular automata models on protein-folding simulations.

PubMed

Diaz, N; Tischer, I

2016-05-13

Cellular automata model identification is an important way of building simplified simulation models. In this study, we describe a generic architectural framework to ease the development process of new metaheuristic-based algorithms for cellular automata model identification in protein-folding trajectories. Our framework was developed by a methodology based on design patterns that allow an improved experience for new algorithms development. The usefulness of the proposed framework is demonstrated by the implementation of four algorithms, able to obtain extremely precise cellular automata models of the protein-folding process with a protein contact map representation. Dynamic rules obtained by the proposed approach are discussed, and future use for the new tool is outlined.

GeNeDA: An Open-Source Workflow for Design Automation of Gene Regulatory Networks Inspired from Microelectronics.

PubMed

Madec, Morgan; Pecheux, François; Gendrault, Yves; Rosati, Elise; Lallement, Christophe; Haiech, Jacques

2016-10-01

The topic of this article is the development of an open-source automated design framework for synthetic biology, specifically for the design of artificial gene regulatory networks based on a digital approach. In opposition to other tools, GeNeDA is an open-source online software based on existing tools used in microelectronics that have proven their efficiency over the last 30 years. The complete framework is composed of a computation core directly adapted from an Electronic Design Automation tool, input and output interfaces, a library of elementary parts that can be achieved with gene regulatory networks, and an interface with an electrical circuit simulator. Each of these modules is an extension of microelectronics tools and concepts: ODIN II, ABC, the Verilog language, SPICE simulator, and SystemC-AMS. GeNeDA is first validated on a benchmark of several combinatorial circuits. The results highlight the importance of the part library. Then, this framework is used for the design of a sequential circuit including a biological state machine.

A discrete mechanics framework for real time virtual surgical simulations with application to virtual laparoscopic nephrectomy.

PubMed

Zhou, Xiangmin; Zhang, Nan; Sha, Desong; Shen, Yunhe; Tamma, Kumar K; Sweet, Robert

2009-01-01

The inability to render realistic soft-tissue behavior in real time has remained a barrier to face and content aspects of validity for many virtual reality surgical training systems. Biophysically based models are not only suitable for training purposes but also for patient-specific clinical applications, physiological modeling and surgical planning. When considering the existing approaches for modeling soft tissue for virtual reality surgical simulation, the computer graphics-based approach lacks predictive capability; the mass-spring model (MSM) based approach lacks biophysically realistic soft-tissue dynamic behavior; and the finite element method (FEM) approaches fail to meet the real-time requirement. The present development stems from physics fundamental thermodynamic first law; for a space discrete dynamic system directly formulates the space discrete but time continuous governing equation with embedded material constitutive relation and results in a discrete mechanics framework which possesses a unique balance between the computational efforts and the physically realistic soft-tissue dynamic behavior. We describe the development of the discrete mechanics framework with focused attention towards a virtual laparoscopic nephrectomy application.

A simple and accurate rule-based modeling framework for simulation of autocrine/paracrine stimulation of glioblastoma cell motility and proliferation by L1CAM in 2-D culture.

PubMed

Caccavale, Justin; Fiumara, David; Stapf, Michael; Sweitzer, Liedeke; Anderson, Hannah J; Gorky, Jonathan; Dhurjati, Prasad; Galileo, Deni S

2017-12-11

Glioblastoma multiforme (GBM) is a devastating brain cancer for which there is no known cure. Its malignancy is due to rapid cell division along with high motility and invasiveness of cells into the brain tissue. Simple 2-dimensional laboratory assays (e.g., a scratch assay) commonly are used to measure the effects of various experimental perturbations, such as treatment with chemical inhibitors. Several mathematical models have been developed to aid the understanding of the motile behavior and proliferation of GBM cells. However, many are mathematically complicated, look at multiple interdependent phenomena, and/or use modeling software not freely available to the research community. These attributes make the adoption of models and simulations of even simple 2-dimensional cell behavior an uncommon practice by cancer cell biologists. Herein, we developed an accurate, yet simple, rule-based modeling framework to describe the in vitro behavior of GBM cells that are stimulated by the L1CAM protein using freely available NetLogo software. In our model L1CAM is released by cells to act through two cell surface receptors and a point of signaling convergence to increase cell motility and proliferation. A simple graphical interface is provided so that changes can be made easily to several parameters controlling cell behavior, and behavior of the cells is viewed both pictorially and with dedicated graphs. We fully describe the hierarchical rule-based modeling framework, show simulation results under several settings, describe the accuracy compared to experimental data, and discuss the potential usefulness for predicting future experimental outcomes and for use as a teaching tool for cell biology students. It is concluded that this simple modeling framework and its simulations accurately reflect much of the GBM cell motility behavior observed experimentally in vitro in the laboratory. Our framework can be modified easily to suit the needs of investigators interested in other similar intrinsic or extrinsic stimuli that influence cancer or other cell behavior. This modeling framework of a commonly used experimental motility assay (scratch assay) should be useful to both researchers of cell motility and students in a cell biology teaching laboratory.

Analysis of Gas-Particle Flows through Multi-Scale Simulations

NASA Astrophysics Data System (ADS)

Gu, Yile

Multi-scale structures are inherent in gas-solid flows, which render the modeling efforts challenging. On one hand, detailed simulations where the fine structures are resolved and particle properties can be directly specified can account for complex flow behaviors, but they are too computationally expensive to apply for larger systems. On the other hand, coarse-grained simulations demand much less computations but they necessitate constitutive models which are often not readily available for given particle properties. The present study focuses on addressing this issue, as it seeks to provide a general framework through which one can obtain the required constitutive models from detailed simulations. To demonstrate the viability of this general framework in which closures can be proposed for different particle properties, we focus on the van der Waals force of interaction between particles. We start with Computational Fluid Dynamics (CFD) - Discrete Element Method (DEM) simulations where the fine structures are resolved and van der Waals force between particles can be directly specified, and obtain closures for stress and drag that are required for coarse-grained simulations. Specifically, we develop a new cohesion model that appropriately accounts for van der Waals force between particles to be used for CFD-DEM simulations. We then validate this cohesion model and the CFD-DEM approach by showing that it can qualitatively capture experimental results where the addition of small particles to gas fluidization reduces bubble sizes. Based on the DEM and CFD-DEM simulation results, we propose stress models that account for the van der Waals force between particles. Finally, we apply machine learning, specifically neural networks, to obtain a drag model that captures the effects from fine structures and inter-particle cohesion. We show that this novel approach using neural networks, which can be readily applied for other closures other than drag here, can take advantage of the large amount of data generated from simulations, and therefore offer superior modeling performance over traditional approaches.

An Efficient Framework Model for Optimizing Routing Performance in VANETs.

PubMed

Al-Kharasani, Nori M; Zulkarnain, Zuriati Ahmad; Subramaniam, Shamala; Hanapi, Zurina Mohd

2018-02-15

Routing in Vehicular Ad hoc Networks (VANET) is a bit complicated because of the nature of the high dynamic mobility. The efficiency of routing protocol is influenced by a number of factors such as network density, bandwidth constraints, traffic load, and mobility patterns resulting in frequency changes in network topology. Therefore, Quality of Service (QoS) is strongly needed to enhance the capability of the routing protocol and improve the overall network performance. In this paper, we introduce a statistical framework model to address the problem of optimizing routing configuration parameters in Vehicle-to-Vehicle (V2V) communication. Our framework solution is based on the utilization of the network resources to further reflect the current state of the network and to balance the trade-off between frequent changes in network topology and the QoS requirements. It consists of three stages: simulation network stage used to execute different urban scenarios, the function stage used as a competitive approach to aggregate the weighted cost of the factors in a single value, and optimization stage used to evaluate the communication cost and to obtain the optimal configuration based on the competitive cost. The simulation results show significant performance improvement in terms of the Packet Delivery Ratio (PDR), Normalized Routing Load (NRL), Packet loss (PL), and End-to-End Delay (E2ED).

Effect of framework soldering on the deformation of implant abutments after framework seating: a study with strain gauges.

PubMed

Mendes, Stella de N C; Edwards Rezende, Carlos E; Moretti Neto, Rafael T; Capello Sousa, Edson A; Henrique Rubo, José

2013-04-01

Passive fit has been considered an important requirement for the longevity of implant-supported prostheses. Among the different steps of prostheses construction, casting is a feature that can influence the precision of fit and consequently the uniformity of possible deformation among abutments upon the framework connection. This study aimed at evaluating the deformation of abutments after the connection of frameworks either cast in one piece or after soldering. A master model was used to simulate a human mandible with 5 implants. Ten frameworks were fabricated on cast models and divided into 2 groups. Strain gauges were attached to the mesial and distal sides of the abutments to capture their deformation after the framework's screw retentions were tightened to the abutments. The mean values of deformation were submitted to a 3-way analysis of variance that revealed significant differences between procedures and the abutment side. The results showed that none of the frameworks presented a complete passive fit. The soldering procedure led to a better although uneven distribution of compression strains on the abutments.

High performance hydrogen storage from Be-BTB metal-organic framework at room temperature.

PubMed

Lim, Wei-Xian; Thornton, Aaron W; Hill, Anita J; Cox, Barry J; Hill, James M; Hill, Matthew R

2013-07-09

The metal-organic framework beryllium benzene tribenzoate (Be-BTB) has recently been reported to have one of the highest gravimetric hydrogen uptakes at room temperature. Storage at room temperature is one of the key requirements for the practical viability of hydrogen-powered vehicles. Be-BTB has an exceptional 298 K storage capacity of 2.3 wt % hydrogen. This result is surprising given that the low adsorption enthalpy of 5.5 kJ mol(-1). In this work, a combination of atomistic simulation and continuum modeling reveals that the beryllium rings contribute strongly to the hydrogen interaction with the framework. These simulations are extended with a thermodynamic energy optimization (TEO) model to compare the performance of Be-BTB to a compressed H2 tank and benchmark materials MOF-5 and MOF-177 in a MOF-based fuel cell. Our investigation shows that none of the MOF-filled tanks satisfy the United States Department of Energy (DOE) storage targets within the required operating temperatures and pressures. However, the Be-BTB tank delivers the most energy per volume and mass compared to the other material-based storage tanks. The pore size and the framework mass are shown to be contributing factors responsible for the superior room temperature hydrogen adsorption of Be-BTB.

Model of dissolution in the framework of tissue engineering and drug delivery.

PubMed

Sanz-Herrera, J A; Soria, L; Reina-Romo, E; Torres, Y; Boccaccini, A R

2018-05-22

Dissolution phenomena are ubiquitously present in biomaterials in many different fields. Despite the advantages of simulation-based design of biomaterials in medical applications, additional efforts are needed to derive reliable models which describe the process of dissolution. A phenomenologically based model, available for simulation of dissolution in biomaterials, is introduced in this paper. The model turns into a set of reaction-diffusion equations implemented in a finite element numerical framework. First, a parametric analysis is conducted in order to explore the role of model parameters on the overall dissolution process. Then, the model is calibrated and validated versus a straightforward but rigorous experimental setup. Results show that the mathematical model macroscopically reproduces the main physicochemical phenomena that take place in the tests, corroborating its usefulness for design of biomaterials in the tissue engineering and drug delivery research areas.

An Integrated Software Package to Enable Predictive Simulation Capabilities

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

Chen, Yousu; Fitzhenry, Erin B.; Jin, Shuangshuang

The power grid is increasing in complexity due to the deployment of smart grid technologies. Such technologies vastly increase the size and complexity of power grid systems for simulation and modeling. This increasing complexity necessitates not only the use of high-performance-computing (HPC) techniques, but a smooth, well-integrated interplay between HPC applications. This paper presents a new integrated software package that integrates HPC applications and a web-based visualization tool based on a middleware framework. This framework can support the data communication between different applications. Case studies with a large power system demonstrate the predictive capability brought by the integrated software package,more » as well as the better situational awareness provided by the web-based visualization tool in a live mode. Test results validate the effectiveness and usability of the integrated software package.« less

A novel medical image data-based multi-physics simulation platform for computational life sciences.

PubMed

Neufeld, Esra; Szczerba, Dominik; Chavannes, Nicolas; Kuster, Niels

2013-04-06

Simulating and modelling complex biological systems in computational life sciences requires specialized software tools that can perform medical image data-based modelling, jointly visualize the data and computational results, and handle large, complex, realistic and often noisy anatomical models. The required novel solvers must provide the power to model the physics, biology and physiology of living tissue within the full complexity of the human anatomy (e.g. neuronal activity, perfusion and ultrasound propagation). A multi-physics simulation platform satisfying these requirements has been developed for applications including device development and optimization, safety assessment, basic research, and treatment planning. This simulation platform consists of detailed, parametrized anatomical models, a segmentation and meshing tool, a wide range of solvers and optimizers, a framework for the rapid development of specialized and parallelized finite element method solvers, a visualization toolkit-based visualization engine, a Python scripting interface for customized applications, a coupling framework, and more. Core components are cross-platform compatible and use open formats. Several examples of applications are presented: hyperthermia cancer treatment planning, tumour growth modelling, evaluating the magneto-haemodynamic effect as a biomarker and physics-based morphing of anatomical models.

Turbofan Volume Dynamics Model for Investigations of Aero-Propulso-Servo-Elastic Effects in a Supersonic Commercial Transport

NASA Technical Reports Server (NTRS)

Connolly, Joseph W.; Kopasakis, George; Lemon, Kimberly A.

2010-01-01

A turbofan simulation has been developed for use in aero-propulso-servo-elastic coupling studies, on supersonic vehicles. A one-dimensional lumped volume approach is used whereby each component (fan, high-pressure compressor, combustor, etc.) is represented as a single volume using characteristic performance maps and conservation equations for continuity, momentum and energy. The simulation is developed in the MATLAB/SIMULINK (The MathWorks, Inc.) environment in order to facilitate controls development, and ease of integration with a future aero-servo-elastic vehicle model being developed at NASA Langley. The complete simulation demonstrated steady state results that closely match a proposed engine suitable for a supersonic business jet at the cruise condition. Preliminary investigation of the transient simulation revealed expected trends for fuel flow disturbances as well as upstream pressure disturbances. A framework for system identification enables development of linear models for controller design. Utilizing this framework, a transfer function modeling an upstream pressure disturbance s impacts on the engine speed is developed as an illustrative case of the system identification. This work will eventually enable an overall vehicle aero-propulso-servo-elastic model

Mesh infrastructure for coupled multiprocess geophysical simulations

DOE PAGES

Garimella, Rao V.; Perkins, William A.; Buksas, Mike W.; ...

2014-01-01

We have developed a sophisticated mesh infrastructure capability to support large scale multiphysics simulations such as subsurface flow and reactive contaminant transport at storage sites as well as the analysis of the effects of a warming climate on the terrestrial arctic. These simulations involve a wide range of coupled processes including overland flow, subsurface flow, freezing and thawing of ice rich soil, accumulation, redistribution and melting of snow, biogeochemical processes involving plant matter and finally, microtopography evolution due to melting and degradation of ice wedges below the surface. In addition to supporting the usual topological and geometric queries about themore » mesh, the mesh infrastructure adds capabilities such as identifying columnar structures in the mesh, enabling deforming of the mesh subject to constraints and enabling the simultaneous use of meshes of different dimensionality for subsurface and surface processes. The generic mesh interface is capable of using three different open source mesh frameworks (MSTK, MOAB and STKmesh) under the hood allowing the developers to directly compare them and choose one that is best suited for the application's needs. We demonstrate the results of some simulations using these capabilities as well as present a comparison of the performance of the different mesh frameworks.« less

Gas adsorption in Mg-porphyrin-based porous organic frameworks: A computational simulation by first-principles derived force field.

PubMed

Pang, Yujia; Li, Wenliang; Zhang, Jingping

2017-09-15

A novel type of porous organic frameworks, based on Mg-porphyrin, with diamond-like topology, named POF-Mgs is computationally designed, and the gas uptakes of CO 2 , H 2 , N 2 , and H 2 O in POF-Mgs are investigated by Grand canonical Monte Carlo simulations based on first-principles derived force fields (FF). The FF, which describes the interactions between POF-Mgs and gases, are fitted by dispersion corrected double-hybrid density functional theory, B2PLYP-D3. The good agreement between the obtained FF and the first-principle energies data confirms the reliability of the FF. Furthermore our simulation shows the presence of a small amount of H 2 O (≤ 0.01 kPa) does not much affect the adsorption quantity of CO 2 , but the presence of higher partial pressure of H 2 O (≥ 0.1 kPa) results in the CO 2 adsorption decrease significantly. The good performance of POF-Mgs in the simulation inspires us to design novel porous materials experimentally for gas adsorption and purification. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Investigating the Impact of Using a CAD Simulation Tool on Students' Learning of Design Thinking

NASA Astrophysics Data System (ADS)

Taleyarkhan, Manaz; Dasgupta, Chandan; Garcia, John Mendoza; Magana, Alejandra J.

2018-02-01

Engineering design thinking is hard to teach and still harder to learn by novices primarily due to the undetermined nature of engineering problems that often results in multiple solutions. In this paper, we investigate the effect of teaching engineering design thinking to freshmen students by using a computer-aided Design (CAD) simulation software. We present a framework for characterizing different levels of engineering design thinking displayed by students who interacted with the CAD simulation software in the context of a collaborative assignment. This framework describes the presence of four levels of engineering design thinking—beginning designer, adept beginning designer, informed designer, adept informed designer. We present the characteristics associated with each of these four levels as they pertain to four engineering design strategies that students pursued in this study—understanding the design challenge, building knowledge, weighing options and making tradeoffs, and reflecting on the process. Students demonstrated significant improvements in two strategies—understanding the design challenge and building knowledge. We discuss the affordances of the CAD simulation tool along with the learning environment that potentially helped students move towards Adept informed designers while pursuing these design strategies.

Simulation, identification and statistical variation in cardiovascular analysis (SISCA) - A software framework for multi-compartment lumped modeling.

PubMed

Huttary, Rudolf; Goubergrits, Leonid; Schütte, Christof; Bernhard, Stefan

2017-08-01

It has not yet been possible to obtain modeling approaches suitable for covering a wide range of real world scenarios in cardiovascular physiology because many of the system parameters are uncertain or even unknown. Natural variability and statistical variation of cardiovascular system parameters in healthy and diseased conditions are characteristic features for understanding cardiovascular diseases in more detail. This paper presents SISCA, a novel software framework for cardiovascular system modeling and its MATLAB implementation. The framework defines a multi-model statistical ensemble approach for dimension reduced, multi-compartment models and focuses on statistical variation, system identification and patient-specific simulation based on clinical data. We also discuss a data-driven modeling scenario as a use case example. The regarded dataset originated from routine clinical examinations and comprised typical pre and post surgery clinical data from a patient diagnosed with coarctation of aorta. We conducted patient and disease specific pre/post surgery modeling by adapting a validated nominal multi-compartment model with respect to structure and parametrization using metadata and MRI geometry. In both models, the simulation reproduced measured pressures and flows fairly well with respect to stenosis and stent treatment and by pre-treatment cross stenosis phase shift of the pulse wave. However, with post-treatment data showing unrealistic phase shifts and other more obvious inconsistencies within the dataset, the methods and results we present suggest that conditioning and uncertainty management of routine clinical data sets needs significantly more attention to obtain reasonable results in patient-specific cardiovascular modeling. Copyright © 2017 Elsevier Ltd. All rights reserved.

Toward improved design of check dam systems: A case study in the Loess Plateau, China

NASA Astrophysics Data System (ADS)

Pal, Debasish; Galelli, Stefano; Tang, Honglei; Ran, Qihua

2018-04-01

Check dams are one of the most common strategies for controlling sediment transport in erosion prone areas, along with soil and water conservation measures. However, existing mathematical models that simulate sediment production and delivery are often unable to simulate how the storage capacity of check dams varies with time. To explicitly account for this process-and to support the design of check dam systems-we developed a modelling framework consisting of two components, namely (1) the spatially distributed Soil Erosion and Sediment Delivery Model (WaTEM/SEDEM), and (2) a network-based model of check dam storage dynamics. The two models are run sequentially, with the second model receiving the initial sediment input to check dams from WaTEM/SEDEM. The framework is first applied to Shejiagou catchment, a 4.26 km2 area located in the Loess Plateau, China, where we study the effect of the existing check dam system on sediment dynamics. Results show that the deployment of check dams altered significantly the sediment delivery ratio of the catchment. Furthermore, the network-based model reveals a large variability in the life expectancy of check dams and abrupt changes in their filling rates. The application of the framework to six alternative check dam deployment scenarios is then used to illustrate its usefulness for planning purposes, and to derive some insights on the effect of key decision variables, such as the number, size, and site location of check dams. Simulation results suggest that better performance-in terms of life expectancy and sediment delivery ratio-could have been achieved with an alternative deployment strategy.

syris: a flexible and efficient framework for X-ray imaging experiments simulation.

PubMed

Faragó, Tomáš; Mikulík, Petr; Ershov, Alexey; Vogelgesang, Matthias; Hänschke, Daniel; Baumbach, Tilo

2017-11-01

An open-source framework for conducting a broad range of virtual X-ray imaging experiments, syris, is presented. The simulated wavefield created by a source propagates through an arbitrary number of objects until it reaches a detector. The objects in the light path and the source are time-dependent, which enables simulations of dynamic experiments, e.g. four-dimensional time-resolved tomography and laminography. The high-level interface of syris is written in Python and its modularity makes the framework very flexible. The computationally demanding parts behind this interface are implemented in OpenCL, which enables fast calculations on modern graphics processing units. The combination of flexibility and speed opens new possibilities for studying novel imaging methods and systematic search of optimal combinations of measurement conditions and data processing parameters. This can help to increase the success rates and efficiency of valuable synchrotron beam time. To demonstrate the capabilities of the framework, various experiments have been simulated and compared with real data. To show the use case of measurement and data processing parameter optimization based on simulation, a virtual counterpart of a high-speed radiography experiment was created and the simulated data were used to select a suitable motion estimation algorithm; one of its parameters was optimized in order to achieve the best motion estimation accuracy when applied on the real data. syris was also used to simulate tomographic data sets under various imaging conditions which impact the tomographic reconstruction accuracy, and it is shown how the accuracy may guide the selection of imaging conditions for particular use cases.

A Simulation Study of Acoustic-Assisted Tracking of Whales for Mark-Recapture Surveys

PubMed Central

Peel, David; Miller, Brian S.; Kelly, Natalie; Dawson, Steve; Slooten, Elisabeth; Double, Michael C.

2014-01-01

Collecting enough data to obtain reasonable abundance estimates of whales is often difficult, particularly when studying rare species. Passive acoustics can be used to detect whale sounds and are increasingly used to estimate whale abundance. Much of the existing effort centres on the use of acoustics to estimate abundance directly, e.g. analysing detections in a distance sampling framework. Here, we focus on acoustics as a tool incorporated within mark-recapture surveys. In this context, acoustic tools are used to detect and track whales, which are then photographed or biopsied to provide data for mark-recapture analyses. The purpose of incorporating acoustics is to increase the encounter rate beyond using visual searching only. While this general approach is not new, its utility is rarely quantified. This paper predicts the “acoustically-assisted” encounter rate using a discrete-time individual-based simulation of whales and survey vessel. We validate the simulation framework using existing data from studies of sperm whales. We then use the framework to predict potential encounter rates in a study of Antarctic blue whales. We also investigate the effects of a number of the key parameters on encounter rate. Mean encounter rates from the simulation of sperm whales matched well with empirical data. Variance of encounter rate, however, was underestimated. The simulation of Antarctic blue whales found that passive acoustics should provide a 1.7–3.0 fold increase in encounter rate over visual-only methods. Encounter rate was most sensitive to acoustic detection range, followed by vocalisation rate. During survey planning and design, some indication of the relationship between expected sample size and effort is paramount; this simulation framework can be used to predict encounter rates and establish this relationship. For a case in point, the simulation framework indicates unequivocally that real-time acoustic tracking should be considered for quantifying the abundance of Antarctic blue whales via mark-recapture methods. PMID:24827919

A simulation study of acoustic-assisted tracking of whales for mark-recapture surveys.

PubMed

Peel, David; Miller, Brian S; Kelly, Natalie; Dawson, Steve; Slooten, Elisabeth; Double, Michael C

2014-01-01

Collecting enough data to obtain reasonable abundance estimates of whales is often difficult, particularly when studying rare species. Passive acoustics can be used to detect whale sounds and are increasingly used to estimate whale abundance. Much of the existing effort centres on the use of acoustics to estimate abundance directly, e.g. analysing detections in a distance sampling framework. Here, we focus on acoustics as a tool incorporated within mark-recapture surveys. In this context, acoustic tools are used to detect and track whales, which are then photographed or biopsied to provide data for mark-recapture analyses. The purpose of incorporating acoustics is to increase the encounter rate beyond using visual searching only. While this general approach is not new, its utility is rarely quantified. This paper predicts the "acoustically-assisted" encounter rate using a discrete-time individual-based simulation of whales and survey vessel. We validate the simulation framework using existing data from studies of sperm whales. We then use the framework to predict potential encounter rates in a study of Antarctic blue whales. We also investigate the effects of a number of the key parameters on encounter rate. Mean encounter rates from the simulation of sperm whales matched well with empirical data. Variance of encounter rate, however, was underestimated. The simulation of Antarctic blue whales found that passive acoustics should provide a 1.7-3.0 fold increase in encounter rate over visual-only methods. Encounter rate was most sensitive to acoustic detection range, followed by vocalisation rate. During survey planning and design, some indication of the relationship between expected sample size and effort is paramount; this simulation framework can be used to predict encounter rates and establish this relationship. For a case in point, the simulation framework indicates unequivocally that real-time acoustic tracking should be considered for quantifying the abundance of Antarctic blue whales via mark-recapture methods.

Integration of Continuous-Time Dynamics in a Spiking Neural Network Simulator.

PubMed

Hahne, Jan; Dahmen, David; Schuecker, Jannis; Frommer, Andreas; Bolten, Matthias; Helias, Moritz; Diesmann, Markus

2017-01-01

Contemporary modeling approaches to the dynamics of neural networks include two important classes of models: biologically grounded spiking neuron models and functionally inspired rate-based units. We present a unified simulation framework that supports the combination of the two for multi-scale modeling, enables the quantitative validation of mean-field approaches by spiking network simulations, and provides an increase in reliability by usage of the same simulation code and the same network model specifications for both model classes. While most spiking simulations rely on the communication of discrete events, rate models require time-continuous interactions between neurons. Exploiting the conceptual similarity to the inclusion of gap junctions in spiking network simulations, we arrive at a reference implementation of instantaneous and delayed interactions between rate-based models in a spiking network simulator. The separation of rate dynamics from the general connection and communication infrastructure ensures flexibility of the framework. In addition to the standard implementation we present an iterative approach based on waveform-relaxation techniques to reduce communication and increase performance for large-scale simulations of rate-based models with instantaneous interactions. Finally we demonstrate the broad applicability of the framework by considering various examples from the literature, ranging from random networks to neural-field models. The study provides the prerequisite for interactions between rate-based and spiking models in a joint simulation.

Integration of Continuous-Time Dynamics in a Spiking Neural Network Simulator

PubMed Central

Hahne, Jan; Dahmen, David; Schuecker, Jannis; Frommer, Andreas; Bolten, Matthias; Helias, Moritz; Diesmann, Markus

2017-01-01

Contemporary modeling approaches to the dynamics of neural networks include two important classes of models: biologically grounded spiking neuron models and functionally inspired rate-based units. We present a unified simulation framework that supports the combination of the two for multi-scale modeling, enables the quantitative validation of mean-field approaches by spiking network simulations, and provides an increase in reliability by usage of the same simulation code and the same network model specifications for both model classes. While most spiking simulations rely on the communication of discrete events, rate models require time-continuous interactions between neurons. Exploiting the conceptual similarity to the inclusion of gap junctions in spiking network simulations, we arrive at a reference implementation of instantaneous and delayed interactions between rate-based models in a spiking network simulator. The separation of rate dynamics from the general connection and communication infrastructure ensures flexibility of the framework. In addition to the standard implementation we present an iterative approach based on waveform-relaxation techniques to reduce communication and increase performance for large-scale simulations of rate-based models with instantaneous interactions. Finally we demonstrate the broad applicability of the framework by considering various examples from the literature, ranging from random networks to neural-field models. The study provides the prerequisite for interactions between rate-based and spiking models in a joint simulation. PMID:28596730

A simulation framework for mapping risks in clinical processes: the case of in-patient transfers.

PubMed

Dunn, Adam G; Ong, Mei-Sing; Westbrook, Johanna I; Magrabi, Farah; Coiera, Enrico; Wobcke, Wayne

2011-05-01

To model how individual violations in routine clinical processes cumulatively contribute to the risk of adverse events in hospital using an agent-based simulation framework. An agent-based simulation was designed to model the cascade of common violations that contribute to the risk of adverse events in routine clinical processes. Clinicians and the information systems that support them were represented as a group of interacting agents using data from direct observations. The model was calibrated using data from 101 patient transfers observed in a hospital and results were validated for one of two scenarios (a misidentification scenario and an infection control scenario). Repeated simulations using the calibrated model were undertaken to create a distribution of possible process outcomes. The likelihood of end-of-chain risk is the main outcome measure, reported for each of the two scenarios. The simulations demonstrate end-of-chain risks of 8% and 24% for the misidentification and infection control scenarios, respectively. Over 95% of the simulations in both scenarios are unique, indicating that the in-patient transfer process diverges from prescribed work practices in a variety of ways. The simulation allowed us to model the risk of adverse events in a clinical process, by generating the variety of possible work subject to violations, a novel prospective risk analysis method. The in-patient transfer process has a high proportion of unique trajectories, implying that risk mitigation may benefit from focusing on reducing complexity rather than augmenting the process with further rule-based protocols.

On the powerful use of simulations in the quake-catcher network to efficiently position low-cost earthquake sensors

USGS Publications Warehouse

Benson, K.; Estrada, T.; Taufer, M.; Lawrence, J.; Cochran, E.

2011-01-01

The Quake-Catcher Network (QCN) uses low-cost sensors connected to volunteer computers across the world to monitor seismic events. The location and density of these sensors' placement can impact the accuracy of the event detection. Because testing different special arrangements of new sensors could disrupt the currently active project, this would best be accomplished in a simulated environment. This paper presents an accurate and efficient framework for simulating the low cost QCN sensors and identifying their most effective locations and densities. Results presented show how our simulations are reliable tools to study diverse scenarios under different geographical and infrastructural constraints. ?? 2011 IEEE.

The QuakeSim Project: Numerical Simulations for Active Tectonic Processes

NASA Technical Reports Server (NTRS)

Donnellan, Andrea; Parker, Jay; Lyzenga, Greg; Granat, Robert; Fox, Geoffrey; Pierce, Marlon; Rundle, John; McLeod, Dennis; Grant, Lisa; Tullis, Terry

2004-01-01

In order to develop a solid earth science framework for understanding and studying of active tectonic and earthquake processes, this task develops simulation and analysis tools to study the physics of earthquakes using state-of-the art modeling, data manipulation, and pattern recognition technologies. We develop clearly defined accessible data formats and code protocols as inputs to the simulations. these are adapted to high-performance computers because the solid earth system is extremely complex and nonlinear resulting in computationally intensive problems with millions of unknowns. With these tools it will be possible to construct the more complex models and simulations necessary to develop hazard assessment systems critical for reducing future losses from major earthquakes.

A radiative transfer model for remote sensing of laser induced fluorescence of phytoplankton in non-homogeneous turbid water

NASA Technical Reports Server (NTRS)

Venable, D. D.

1983-01-01

A semi-analytic Monte Carlo simulation methodology (SALMON) was discussed. This simulation technique is particularly well suited for addressing fundamental radiative transfer problems in oceanographic LIDAR (optical radar), and also provides a framework for investigating the effects of environmental factors on LIDAR system performance. The simulation model was extended for airborne laser fluorosensors to allow for inhomogeneities in the vertical distribution of constituents in clear sea water. Results of the simulations for linearly varying step concentrations of chlorophyll are presented. The SALMON technique was also employed to determine how the LIDAR signals from an inhomogeneous media differ from those from homogeneous media.

Large-eddy simulation of subtropical cloud-topped boundary layers: 1. A forcing framework with closed surface energy balance

NASA Astrophysics Data System (ADS)

Tan, Zhihong; Schneider, Tapio; Teixeira, João.; Pressel, Kyle G.

2016-12-01

Large-eddy simulation (LES) of clouds has the potential to resolve a central question in climate dynamics, namely, how subtropical marine boundary layer (MBL) clouds respond to global warming. However, large-scale processes need to be prescribed or represented parameterically in the limited-area LES domains. It is important that the representation of large-scale processes satisfies constraints such as a closed energy balance in a manner that is realizable under climate change. For example, LES with fixed sea surface temperatures usually do not close the surface energy balance, potentially leading to spurious surface fluxes and cloud responses to climate change. Here a framework of forcing LES of subtropical MBL clouds is presented that enforces a closed surface energy balance by coupling atmospheric LES to an ocean mixed layer with a sea surface temperature (SST) that depends on radiative fluxes and sensible and latent heat fluxes at the surface. A variety of subtropical MBL cloud regimes (stratocumulus, cumulus, and stratocumulus over cumulus) are simulated successfully within this framework. However, unlike in conventional frameworks with fixed SST, feedbacks between cloud cover and SST arise, which can lead to sudden transitions between cloud regimes (e.g., stratocumulus to cumulus) as forcing parameters are varied. The simulations validate this framework for studies of MBL clouds and establish its usefulness for studies of how the clouds respond to climate change.

A motion sensing-based framework for robotic manipulation.

PubMed

Deng, Hao; Xia, Zeyang; Weng, Shaokui; Gan, Yangzhou; Fang, Peng; Xiong, Jing

2016-01-01

To data, outside of the controlled environments, robots normally perform manipulation tasks operating with human. This pattern requires the robot operators with high technical skills training for varied teach-pendant operating system. Motion sensing technology, which enables human-machine interaction in a novel and natural interface using gestures, has crucially inspired us to adopt this user-friendly and straightforward operation mode on robotic manipulation. Thus, in this paper, we presented a motion sensing-based framework for robotic manipulation, which recognizes gesture commands captured from motion sensing input device and drives the action of robots. For compatibility, a general hardware interface layer was also developed in the framework. Simulation and physical experiments have been conducted for preliminary validation. The results have shown that the proposed framework is an effective approach for general robotic manipulation with motion sensing control.

Electron backscattering simulation in Geant4

NASA Astrophysics Data System (ADS)

Dondero, Paolo; Mantero, Alfonso; Ivanchencko, Vladimir; Lotti, Simone; Mineo, Teresa; Fioretti, Valentina

2018-06-01

The backscattering of electrons is a key phenomenon in several physics applications which range from medical therapy to space including AREMBES, the new ESA simulation framework for radiation background effects. The importance of properly reproducing this complex interaction has grown considerably in the last years and the Geant4 Monte Carlo simulation toolkit, recently upgraded to the version 10.3, is able to comply with the AREMBES requirements in a wide energy range. In this study a validation of the electron Geant4 backscattering models is performed with respect to several experimental data. In addition a selection of the most recent validation results on the electron scattering processes is also presented. Results of our analysis show a good agreement between simulations and data from several experiments, confirming the Geant4 electron backscattering models to be robust and reliable up to a few tens of electronvolts.

Investigating atmospheric transport processes of trace gases with ICON-ART on different scales

NASA Astrophysics Data System (ADS)

Schröter, Jennifer; Ruhnke, Roland; Rieger, Daniel; Vogel, Heike; Vogel, Bernhard

2016-04-01

We have extended the global ICON [1] (ICOsahedral Nonhydrostatic) modelling framework by introducing ICON-ART [2]. ICON is jointly developed by the German Weather Service (DWD) and Max-Planck-Institute for Meteorology (MPI-M), and is used for numerical weather prediction as well as for future climate predictions. ICON-ART is developed at the KIT with the goal to simulate interactions between trace substances and the state of the atmosphere. For the dynamics (transport and diffusion) of gaseous tracers, the original ICON tracer framework is used. A process splitting approach separates the physical processes. In this study, we present results of the ICON-ART extension, including the full gas-phase chemistry module. This module uses the kpp formalism [3] to generate chemistry modules and the photolysis module is based on Cloud-J7.3 [4]. Photolysis rates are calculated online based on the meteorological state of the atmosphere, as well as on the actual ozone profile and cloud optical parameters. Two simulations are performed with ICON-ART. The first one with physics parameterisations for the numerical weather prediction (NWP) and the second one with that for climate simulation in order to investigate the dynamical influence on the distribution of long-lived as well as of short-lived species by comparing both simulations. The results are evaluated with other model results and with observation. In addition to that, we use aircraft campaign data to validate the results on the regional scale for short term simulations by using the NWP physics. [1] Zängl, G., Reinert, D., Ripodas, P., and Baldauf, M.: The ICON (ICOsahedral Non-hydrostatic) modelling framework of DWD and MPI-M: Description of the non-hydrostatic dynamicalcore, Q. J. Roy. Meteor. Soc,141, 563-579, doi:10.1002/qj.2378, 2015 [2] Rieger, D., Bangert, M., Bischoff-Gauss, I., Förstner, J., Lundgren, K., Reinert, D., Schröter, J., Vogel, H., Zängl, G., Ruhnke, R., and Vogel, B.: ICON-ART 1.0 - a new online-coupled model system from the global to regional scale, Geosci. Model Dev., 8, 1659-1676, doi:10.5194/gmd-8-1659-2015, 2015 [3] Sandu, A. and Sander, R.: Technical note: Simulating chemical systems in Fortran90 and Matlab with the Kinetic PreProcessor KPP-2.1, Atmos. Chem. Phys., 6, 187-195, doi:10.5194/acp-6-187-2006, 2006 [4] Prather, M. J.: Photolysis rates in correlated overlapping cloud fields: Cloud-J 7.3c, Geosci. Model Dev., 8, 2587-2595, doi:10.5194/gmd-8-2587-2015, 2015

Applying Reduced Generator Models in the Coarse Solver of Parareal in Time Parallel Power System Simulation

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

Duan, Nan; Dimitrovski, Aleksandar D; Simunovic, Srdjan

2016-01-01

The development of high-performance computing techniques and platforms has provided many opportunities for real-time or even faster-than-real-time implementation of power system simulations. One approach uses the Parareal in time framework. The Parareal algorithm has shown promising theoretical simulation speedups by temporal decomposing a simulation run into a coarse simulation on the entire simulation interval and fine simulations on sequential sub-intervals linked through the coarse simulation. However, it has been found that the time cost of the coarse solver needs to be reduced to fully exploit the potentials of the Parareal algorithm. This paper studies a Parareal implementation using reduced generatormore » models for the coarse solver and reports the testing results on the IEEE 39-bus system and a 327-generator 2383-bus Polish system model.« less

Integrating surrogate models into subsurface simulation framework allows computation of complex reactive transport scenarios

NASA Astrophysics Data System (ADS)

De Lucia, Marco; Kempka, Thomas; Jatnieks, Janis; Kühn, Michael

2017-04-01

Reactive transport simulations - where geochemical reactions are coupled with hydrodynamic transport of reactants - are extremely time consuming and suffer from significant numerical issues. Given the high uncertainties inherently associated with the geochemical models, which also constitute the major computational bottleneck, such requirements may seem inappropriate and probably constitute the main limitation for their wide application. A promising way to ease and speed-up such coupled simulations is achievable employing statistical surrogates instead of "full-physics" geochemical models [1]. Data-driven surrogates are reduced models obtained on a set of pre-calculated "full physics" simulations, capturing their principal features while being extremely fast to compute. Model reduction of course comes at price of a precision loss; however, this appears justified in presence of large uncertainties regarding the parametrization of geochemical processes. This contribution illustrates the integration of surrogates into the flexible simulation framework currently being developed by the authors' research group [2]. The high level language of choice for obtaining and dealing with surrogate models is R, which profits from state-of-the-art methods for statistical analysis of large simulations ensembles. A stand-alone advective mass transport module was furthermore developed in order to add such capability to any multiphase finite volume hydrodynamic simulator within the simulation framework. We present 2D and 3D case studies benchmarking the performance of surrogates and "full physics" chemistry in scenarios pertaining the assessment of geological subsurface utilization. [1] Jatnieks, J., De Lucia, M., Dransch, D., Sips, M.: "Data-driven surrogate model approach for improving the performance of reactive transport simulations.", Energy Procedia 97, 2016, p. 447-453. [2] Kempka, T., Nakaten, B., De Lucia, M., Nakaten, N., Otto, C., Pohl, M., Chabab [Tillner], E., Kühn, M.: "Flexible Simulation Framework to Couple Processes in Complex 3D Models for Subsurface Utilization Assessment.", Energy Procedia, 97, 2016 p. 494-501.

An Experimental Design of a Foundational Framework for the Application of Affective Computing to Soaring Flight Simulation and Training

ERIC Educational Resources Information Center

Moon, Shannon

2017-01-01

In the absence of tools for intelligent tutoring systems for soaring flight simulation training, this study evaluated a framework foundation to measure pilot performance, affect, and physiological response to training in real-time. Volunteers were asked to perform a series of flight tasks selected from Federal Aviation Administration Practical…

Estimating social carrying capacity through computer simulation modeling: an application to Arches National Park, Utah

Treesearch

Benjamin Wang; Robert E. Manning; Steven R. Lawson; William A. Valliere

2001-01-01

Recent research and management experience has led to several frameworks for defining and managing carrying capacity of national parks and related areas. These frameworks rely on monitoring indicator variables to ensure that standards of quality are maintained. The objective of this study was to develop a computer simulation model to estimate the relationships between...

Design of a framework for modeling, integration and simulation of physiological models.

PubMed

Erson, E Zeynep; Cavuşoğlu, M Cenk

2012-09-01

Multiscale modeling and integration of physiological models carry challenges due to the complex nature of physiological processes. High coupling within and among scales present a significant challenge in constructing and integrating multiscale physiological models. In order to deal with such challenges in a systematic way, there is a significant need for an information technology framework together with related analytical and computational tools that will facilitate integration of models and simulations of complex biological systems. Physiological Model Simulation, Integration and Modeling Framework (Phy-SIM) is an information technology framework providing the tools to facilitate development, integration and simulation of integrated models of human physiology. Phy-SIM brings software level solutions to the challenges raised by the complex nature of physiological systems. The aim of Phy-SIM, and this paper is to lay some foundation with the new approaches such as information flow and modular representation of the physiological models. The ultimate goal is to enhance the development of both the models and the integration approaches of multiscale physiological processes and thus this paper focuses on the design approaches that would achieve such a goal. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

pyBadlands: A framework to simulate sediment transport, landscape dynamics and basin stratigraphic evolution through space and time

PubMed Central

2018-01-01

Understanding Earth surface responses in terms of sediment dynamics to climatic variability and tectonics forcing is hindered by limited ability of current models to simulate long-term evolution of sediment transfer and associated morphological changes. This paper presents pyBadlands, an open-source python-based framework which computes over geological time (1) sediment transport from landmasses to coasts, (2) reworking of marine sediments by longshore currents and (3) development of coral reef systems. pyBadlands is cross-platform, distributed under the GPLv3 license and available on GitHub (http://github.com/badlands-model). Here, we describe the underlying physical assumptions behind the simulated processes and the main options already available in the numerical framework. Along with the source code, a list of hands-on examples is provided that illustrates the model capabilities. In addition, pre and post-processing classes have been built and are accessible as a companion toolbox which comprises a series of workflows to efficiently build, quantify and explore simulation input and output files. While the framework has been primarily designed for research, its simplicity of use and portability makes it a great tool for teaching purposes. PMID:29649301

Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment.

PubMed

Körmann, F; Grabowski, B; Dutta, B; Hickel, T; Mauger, L; Fultz, B; Neugebauer, J

2014-10-17

An ab initio based framework for quantitatively assessing the phonon contribution due to magnon-phonon interactions and lattice expansion is developed. The theoretical results for bcc Fe are in very good agreement with high-quality phonon frequency measurements. For some phonon branches, the magnon-phonon interaction is an order of magnitude larger than the phonon shift due to lattice expansion, demonstrating the strong impact of magnetic short-range order even significantly above the Curie temperature. The framework closes the previous simulation gap between the ferro- and paramagnetic limits.

Assessing Procedural Competence: Validity Considerations.

PubMed

Pugh, Debra M; Wood, Timothy J; Boulet, John R

2015-10-01

Simulation-based medical education (SBME) offers opportunities for trainees to learn how to perform procedures and to be assessed in a safe environment. However, SBME research studies often lack robust evidence to support the validity of the interpretation of the results obtained from tools used to assess trainees' skills. The purpose of this paper is to describe how a validity framework can be applied when reporting and interpreting the results of a simulation-based assessment of skills related to performing procedures. The authors discuss various sources of validity evidence because they relate to SBME. A case study is presented.

A generalized framework for nucleosynthesis calculations

NASA Astrophysics Data System (ADS)

Sprouse, Trevor; Mumpower, Matthew; Aprahamian, Ani

2014-09-01

Simulating astrophysical events is a difficult process, requiring a detailed pairing of knowledge from both astrophysics and nuclear physics. Astrophysics guides the thermodynamic evolution of an astrophysical event. We present a nucleosynthesis framework written in Fortran that combines as inputs a thermodynamic evolution and nuclear data to time evolve the abundances of nuclear species. Through our coding practices, we have emphasized the applicability of our framework to any astrophysical event, including those involving nuclear fission. Because these calculations are often very complicated, our framework dynamically optimizes itself based on the conditions at each time step in order to greatly minimize total computation time. To highlight the power of this new approach, we demonstrate the use of our framework to simulate both Big Bang nucleosynthesis and r-process nucleosynthesis with speeds competitive with current solutions dedicated to either process alone.

Branch length estimation and divergence dating: estimates of error in Bayesian and maximum likelihood frameworks.

PubMed

Schwartz, Rachel S; Mueller, Rachel L

2010-01-11

Estimates of divergence dates between species improve our understanding of processes ranging from nucleotide substitution to speciation. Such estimates are frequently based on molecular genetic differences between species; therefore, they rely on accurate estimates of the number of such differences (i.e. substitutions per site, measured as branch length on phylogenies). We used simulations to determine the effects of dataset size, branch length heterogeneity, branch depth, and analytical framework on branch length estimation across a range of branch lengths. We then reanalyzed an empirical dataset for plethodontid salamanders to determine how inaccurate branch length estimation can affect estimates of divergence dates. The accuracy of branch length estimation varied with branch length, dataset size (both number of taxa and sites), branch length heterogeneity, branch depth, dataset complexity, and analytical framework. For simple phylogenies analyzed in a Bayesian framework, branches were increasingly underestimated as branch length increased; in a maximum likelihood framework, longer branch lengths were somewhat overestimated. Longer datasets improved estimates in both frameworks; however, when the number of taxa was increased, estimation accuracy for deeper branches was less than for tip branches. Increasing the complexity of the dataset produced more misestimated branches in a Bayesian framework; however, in an ML framework, more branches were estimated more accurately. Using ML branch length estimates to re-estimate plethodontid salamander divergence dates generally resulted in an increase in the estimated age of older nodes and a decrease in the estimated age of younger nodes. Branch lengths are misestimated in both statistical frameworks for simulations of simple datasets. However, for complex datasets, length estimates are quite accurate in ML (even for short datasets), whereas few branches are estimated accurately in a Bayesian framework. Our reanalysis of empirical data demonstrates the magnitude of effects of Bayesian branch length misestimation on divergence date estimates. Because the length of branches for empirical datasets can be estimated most reliably in an ML framework when branches are <1 substitution/site and datasets are > or =1 kb, we suggest that divergence date estimates using datasets, branch lengths, and/or analytical techniques that fall outside of these parameters should be interpreted with caution.

Teaching professionalism in graduate medical education: What is the role of simulation?

PubMed

Wali, Eisha; Pinto, Jayant M; Cappaert, Melissa; Lambrix, Marcie; Blood, Angela D; Blair, Elizabeth A; Small, Stephen D

2016-09-01

We systematically reviewed the literature concerning simulation-based teaching and assessment of the Accreditation Council for Graduate Medical Education professionalism competencies to elucidate best practices and facilitate further research. A systematic review of English literature for "professionalism" and "simulation(s)" yielded 697 abstracts. Two independent raters chose abstracts that (1) focused on graduate medical education, (2) described the simulation method, and (3) used simulation to train or assess professionalism. Fifty abstracts met the criteria, and seven were excluded for lack of relevant information. The raters, 6 professionals with medical education, simulation, and clinical experience, discussed 5 of these articles as a group; they calibrated coding and applied further refinements, resulting in a final, iteratively developed evaluation form. The raters then divided into 2 teams to read and assess the remaining articles. Overall, 15 articles were eliminated, and 28 articles underwent final analysis. Papers addressed a heterogeneous range of professionalism content via multiple methods. Common specialties represented were surgery (46.4%), pediatrics (17.9%), and emergency medicine (14.3%). Sixteen articles (57%) referenced a professionalism framework; 14 (50%) incorporated an assessment tool; and 17 (60.7%) reported debriefing participants, though in limited detail. Twenty-three (82.1%) articles evaluated programs, mostly using subjective trainee reports. Despite early innovation, reporting of simulation-based professionalism training and assessment is nonstandardized in methods and terminology and lacks the details required for replication. We offer minimum standards for reporting of future professionalism-focused simulation training and assessment as well as a basic framework for better mapping proper simulation methods to the targeted domain of professionalism. Copyright © 2016 Elsevier Inc. All rights reserved.

A resilient and efficient CFD framework: Statistical learning tools for multi-fidelity and heterogeneous information fusion

NASA Astrophysics Data System (ADS)

Lee, Seungjoon; Kevrekidis, Ioannis G.; Karniadakis, George Em

2017-09-01

Exascale-level simulations require fault-resilient algorithms that are robust against repeated and expected software and/or hardware failures during computations, which may render the simulation results unsatisfactory. If each processor can share some global information about the simulation from a coarse, limited accuracy but relatively costless auxiliary simulator we can effectively fill-in the missing spatial data at the required times by a statistical learning technique - multi-level Gaussian process regression, on the fly; this has been demonstrated in previous work [1]. Based on the previous work, we also employ another (nonlinear) statistical learning technique, Diffusion Maps, that detects computational redundancy in time and hence accelerate the simulation by projective time integration, giving the overall computation a "patch dynamics" flavor. Furthermore, we are now able to perform information fusion with multi-fidelity and heterogeneous data (including stochastic data). Finally, we set the foundations of a new framework in CFD, called patch simulation, that combines information fusion techniques from, in principle, multiple fidelity and resolution simulations (and even experiments) with a new adaptive timestep refinement technique. We present two benchmark problems (the heat equation and the Navier-Stokes equations) to demonstrate the new capability that statistical learning tools can bring to traditional scientific computing algorithms. For each problem, we rely on heterogeneous and multi-fidelity data, either from a coarse simulation of the same equation or from a stochastic, particle-based, more "microscopic" simulation. We consider, as such "auxiliary" models, a Monte Carlo random walk for the heat equation and a dissipative particle dynamics (DPD) model for the Navier-Stokes equations. More broadly, in this paper we demonstrate the symbiotic and synergistic combination of statistical learning, domain decomposition, and scientific computing in exascale simulations.

The OSSE Framework at the NASA Global Modeling and Assimilation Office (GMAO)

NASA Astrophysics Data System (ADS)

Moradi, I.; Prive, N.; McCarty, W.; Errico, R. M.; Gelaro, R.

2017-12-01

This abstract summarizes the OSSE framework developed at the Global Modeling and Assimilation Office at the National Aeronautics and Space Administration (NASA/GMAO). Some of the OSSE techniques developed at GMAO including simulation of realistic observations, e.g., adding errors to simulated observations, are now widely used by the community to evaluate the impact of new observations on the weather forecasts. This talk presents some of the recent progresses and challenges in simulating realistic observations, radiative transfer modeling support for the GMAO OSSE activities, assimilation of OSSE observations into data assimilation systems, and evaluating the impact of simulated observations on the forecast skills.

The OSSE Framework at the NASA Global Modeling and Assimilation Office (GMAO)

NASA Technical Reports Server (NTRS)

Moradi, Isaac; Prive, Nikki; McCarty, Will; Errico, Ronald M.; Gelaro, Ron

2017-01-01

This abstract summarizes the OSSE framework developed at the Global Modeling and Assimilation Office at the National Aeronautics and Space Administration (NASA/GMAO). Some of the OSSE techniques developed at GMAO including simulation of realistic observations, e.g., adding errors to simulated observations, are now widely used by the community to evaluate the impact of new observations on the weather forecasts. This talk presents some of the recent progresses and challenges in simulating realistic observations, radiative transfer modeling support for the GMAO OSSE activities, assimilation of OSSE observations into data assimilation systems, and evaluating the impact of simulated observations on the forecast skills.

Design Patterns for Learning and Assessment: Facilitating the Introduction of a Complex Simulation-Based Learning Environment into a Community of Instructors

NASA Astrophysics Data System (ADS)

Frezzo, Dennis C.; Behrens, John T.; Mislevy, Robert J.

2010-04-01

Simulation environments make it possible for science and engineering students to learn to interact with complex systems. Putting these capabilities to effective use for learning, and assessing learning, requires more than a simulation environment alone. It requires a conceptual framework for the knowledge, skills, and ways of thinking that are meant to be developed, in order to design activities that target these capabilities. The challenges of using simulation environments effectively are especially daunting in dispersed social systems. This article describes how these challenges were addressed in the context of the Cisco Networking Academies with a simulation tool for computer networks called Packet Tracer. The focus is on a conceptual support framework for instructors in over 9,000 institutions around the world for using Packet Tracer in instruction and assessment, by learning to create problem-solving scenarios that are at once tuned to the local needs of their students and consistent with the epistemic frame of "thinking like a network engineer." We describe a layered framework of tools and interfaces above the network simulator that supports the use of Packet Tracer in the distributed community of instructors and students.

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

PubMed

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

2017-04-01

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

An approach to multiscale modelling with graph grammars

PubMed Central

Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

2014-01-01

Background and Aims Functional–structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. Methods A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Key Results Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. Conclusions The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models. PMID:25134929

Framework for Understanding Structural Errors (FUSE): A modular framework to diagnose differences between hydrological models

USGS Publications Warehouse

Clark, Martyn P.; Slater, Andrew G.; Rupp, David E.; Woods, Ross A.; Vrugt, Jasper A.; Gupta, Hoshin V.; Wagener, Thorsten; Hay, Lauren E.

2008-01-01

The problems of identifying the most appropriate model structure for a given problem and quantifying the uncertainty in model structure remain outstanding research challenges for the discipline of hydrology. Progress on these problems requires understanding of the nature of differences between models. This paper presents a methodology to diagnose differences in hydrological model structures: the Framework for Understanding Structural Errors (FUSE). FUSE was used to construct 79 unique model structures by combining components of 4 existing hydrological models. These new models were used to simulate streamflow in two of the basins used in the Model Parameter Estimation Experiment (MOPEX): the Guadalupe River (Texas) and the French Broad River (North Carolina). Results show that the new models produced simulations of streamflow that were at least as good as the simulations produced by the models that participated in the MOPEX experiment. Our initial application of the FUSE method for the Guadalupe River exposed relationships between model structure and model performance, suggesting that the choice of model structure is just as important as the choice of model parameters. However, further work is needed to evaluate model simulations using multiple criteria to diagnose the relative importance of model structural differences in various climate regimes and to assess the amount of independent information in each of the models. This work will be crucial to both identifying the most appropriate model structure for a given problem and quantifying the uncertainty in model structure. To facilitate research on these problems, the FORTRAN‐90 source code for FUSE is available upon request from the lead author.

Physics-based multiscale coupling for full core nuclear reactor simulation

DOE PAGES

Gaston, Derek R.; Permann, Cody J.; Peterson, John W.; ...

2015-10-01

Numerical simulation of nuclear reactors is a key technology in the quest for improvements in efficiency, safety, and reliability of both existing and future reactor designs. Historically, simulation of an entire reactor was accomplished by linking together multiple existing codes that each simulated a subset of the relevant multiphysics phenomena. Recent advances in the MOOSE (Multiphysics Object Oriented Simulation Environment) framework have enabled a new approach: multiple domain-specific applications, all built on the same software framework, are efficiently linked to create a cohesive application. This is accomplished with a flexible coupling capability that allows for a variety of different datamore » exchanges to occur simultaneously on high performance parallel computational hardware. Examples based on the KAIST-3A benchmark core, as well as a simplified Westinghouse AP-1000 configuration, demonstrate the power of this new framework for tackling—in a coupled, multiscale manner—crucial reactor phenomena such as CRUD-induced power shift and fuel shuffle. 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-SA license« less