Multireader multicase reader studies with binary agreement data: simulation, analysis, validation, and sizing.

PubMed

Chen, Weijie; Wunderlich, Adam; Petrick, Nicholas; Gallas, Brandon D

2014-10-01

We treat multireader multicase (MRMC) reader studies for which a reader's diagnostic assessment is converted to binary agreement (1: agree with the truth state, 0: disagree with the truth state). We present a mathematical model for simulating binary MRMC data with a desired correlation structure across readers, cases, and two modalities, assuming the expected probability of agreement is equal for the two modalities ([Formula: see text]). This model can be used to validate the coverage probabilities of 95% confidence intervals (of [Formula: see text], [Formula: see text], or [Formula: see text] when [Formula: see text]), validate the type I error of a superiority hypothesis test, and size a noninferiority hypothesis test (which assumes [Formula: see text]). To illustrate the utility of our simulation model, we adapt the Obuchowski-Rockette-Hillis (ORH) method for the analysis of MRMC binary agreement data. Moreover, we use our simulation model to validate the ORH method for binary data and to illustrate sizing in a noninferiority setting. Our software package is publicly available on the Google code project hosting site for use in simulation, analysis, validation, and sizing of MRMC reader studies with binary agreement data.

Multireader multicase reader studies with binary agreement data: simulation, analysis, validation, and sizing

PubMed Central

Chen, Weijie; Wunderlich, Adam; Petrick, Nicholas; Gallas, Brandon D.

2014-01-01

Abstract. We treat multireader multicase (MRMC) reader studies for which a reader’s diagnostic assessment is converted to binary agreement (1: agree with the truth state, 0: disagree with the truth state). We present a mathematical model for simulating binary MRMC data with a desired correlation structure across readers, cases, and two modalities, assuming the expected probability of agreement is equal for the two modalities (P1=P2). This model can be used to validate the coverage probabilities of 95% confidence intervals (of P1, P2, or P1−P2 when P1−P2=0), validate the type I error of a superiority hypothesis test, and size a noninferiority hypothesis test (which assumes P1=P2). To illustrate the utility of our simulation model, we adapt the Obuchowski–Rockette–Hillis (ORH) method for the analysis of MRMC binary agreement data. Moreover, we use our simulation model to validate the ORH method for binary data and to illustrate sizing in a noninferiority setting. Our software package is publicly available on the Google code project hosting site for use in simulation, analysis, validation, and sizing of MRMC reader studies with binary agreement data. PMID:26158051

Dynamic simulation of Static Var Compensators in distribution systems

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

Koessler, R.J.

1992-08-01

This paper is a system study guide for the correction of voltage dips due to large motor startups with Static Var Compensators (SVCs). The method utilizes time simulations, which are an important aid in the equipment design and specification. The paper illustrates the process of setting-up a computer model and performing time simulations. The study process is demonstrated through an example, the Shawnee feeder in the Niagara Mohawk Power Corporation service area.

Resource Tracking Model Updates and Trade Studies

NASA Technical Reports Server (NTRS)

Chambliss, Joe; Stambaugh, Imelda; Moore, Michael

2016-01-01

The Resource tracking model has been updated to capture system manager and project manager inputs. Both the Trick/GUNNS RTM simulator and the RTM mass balance spreadsheet have been revised to address inputs from system managers and to refine the way mass balance is illustrated. The revisions to the RTM included addition of a Plasma Pyrolysis Assembly (PPA) to recover hydrogen from Sabatier reactor methane which was vented in the prior version of the RTM. The effect of the PPA on the overall balance of resources in an exploration vehicle is illustrated in the increased recycle of vehicle oxygen. Additionally simulation of EVAs conducted from the exploration module was added. Since the focus of the exploration module is to provide a habitat during deep space operations the EVA simulation approach to EVA is based on ISS EVA protocol and processes. Case studies have been run to show the relative effect of performance changes on vehicle resources.

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

ERIC Educational Resources Information Center

Pustejovsky, James E.; Runyon, Christopher

2014-01-01

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

The Impact of Face on Chinese Students' Simulated Negotiation Practices with Americans

ERIC Educational Resources Information Center

Shi, Xingsong

2011-01-01

Through scrutinizing three simulated negotiation cases of Chinese MBA students in an American business school, the study illustrates how Chinese face ideology functioned to orient and complicate the students' (pseudo-)business communications with Americans. The students' bone-deep sensitivity to maintaining harmony and interrelationships in the…

Teaching Complicated Conceptual Knowledge with Simulation Videos in Foundational Electrical Engineering Courses

ERIC Educational Resources Information Center

Chen, Baiyun; Wei, Lei; Li, Huihui

2016-01-01

Building a solid foundation of conceptual knowledge is critical for students in electrical engineering. This mixed-method case study explores the use of simulation videos to illustrate complicated conceptual knowledge in foundational communications and signal processing courses. Students found these videos to be very useful for establishing…

Quest for Cavities: A Hole-istic Simulation Game.

ERIC Educational Resources Information Center

Stabb, Mark

1990-01-01

Describes adaptation of children's Musical Chairs game, illustrating different animals'"quest for cavities." Game uses role play to simulate wildlife "cavity excavators" and secondary-user animals that compete for nesting holes. Classifies 44 animals according to nesting practice and gives hole sizes for 25. Promotes ecology, conservation studies.…

Statistical Signal Processing for Remote Sensing of Targets: Proposal for Terrestrial Science Program

DTIC Science & Technology

2014-11-14

responses from any analyte under consideration. Figure 1 illustrates this behavior. Figure 1: LIBS spectra from OVA (ricin simulant) on...illustrates this behavior. Figure 1: LIBS spectra from OVA (ricin simulant) on several different substrates: steel, aluminum, and polycarbonate

Modeling hospital surgical delivery process design using system simulation: optimizing patient flow and bed capacity as an illustration.

PubMed

Kumar, Sameer

2011-01-01

It is increasingly recognized that hospital operation is an intricate system with limited resources and many interacting sources of both positive and negative feedback. The purpose of this study is to design a surgical delivery process in a county hospital in the U.S where patient flow through a surgical ward is optimized. The system simulation modeling is used to address questions of capacity planning, throughput management and interacting resources which constitute the constantly changing complexity that characterizes designing a contemporary surgical delivery process in a hospital. The steps in building a system simulation model is demonstrated using an example of building a county hospital in a small city in the US. It is used to illustrate a modular system simulation modeling of patient surgery process flows. The system simulation model development will enable planners and designers how they can build in overall efficiencies in a healthcare facility through optimal bed capacity for peak patient flow of emergency and routine patients.

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

Ortoleva, Peter J.

Illustrative embodiments of systems and methods for the deductive multiscale simulation of macromolecules are disclosed. In one illustrative embodiment, a deductive multiscale simulation method may include (i) constructing a set of order parameters that model one or more structural characteristics of a macromolecule, (ii) simulating an ensemble of atomistic configurations for the macromolecule using instantaneous values of the set of order parameters, (iii) simulating thermal-average forces and diffusivities for the ensemble of atomistic configurations, and (iv) evolving the set of order parameters via Langevin dynamics using the thermal-average forces and diffusivities.

A real-time digital computer program for the simulation of a single rotor helicopter

NASA Technical Reports Server (NTRS)

Houck, J. A.; Gibson, L. H.; Steinmetz, G. G.

1974-01-01

A computer program was developed for the study of a single-rotor helicopter on the Langley Research Center real-time digital simulation system. Descriptions of helicopter equations and data, program subroutines (including flow charts and listings), real-time simulation system routines, and program operation are included. Program usage is illustrated by standard check cases and a representative flight case.

Data Synchronization Discrepancies in a Formation Flight Control System

NASA Technical Reports Server (NTRS)

Ryan, Jack; Hanson, Curtis E.; Norlin, Ken A.; Allen, Michael J.; Schkolnik, Gerard (Technical Monitor)

2001-01-01

Aircraft hardware-in-the-loop simulation is an invaluable tool to flight test engineers; it reveals design and implementation flaws while operating in a controlled environment. Engineers, however, must always be skeptical of the results and analyze them within their proper context. Engineers must carefully ascertain whether an anomaly that occurs in the simulation will also occur in flight. This report presents a chronology illustrating how misleading simulation timing problems led to the implementation of an overly complex position data synchronization guidance algorithm in place of a simpler one. The report illustrates problems caused by the complex algorithm and how the simpler algorithm was chosen in the end. Brief descriptions of the project objectives, approach, and simulation are presented. The misleading simulation results and the conclusions then drawn are presented. The complex and simple guidance algorithms are presented with flight data illustrating their relative success.

Simulating the Effects of Common and Specific Abilities on Test Performance: An Evaluation of Factor Analysis

ERIC Educational Resources Information Center

McFarland, Dennis J.

2014-01-01

Purpose: Factor analysis is a useful technique to aid in organizing multivariate data characterizing speech, language, and auditory abilities. However, knowledge of the limitations of factor analysis is essential for proper interpretation of results. The present study used simulated test scores to illustrate some characteristics of factor…

TEMPORAL FEATURES IN OBSERVED AND SIMULATED METEOROLOGY AND AIR QUALITY OVER THE EASTERN UNITED STATES

EPA Science Inventory

In this study, temporal scale analysis is applied as a technique to evaluate an annual simulation of meteorology, O₃, and PM_2.5 and its chemical components over the continental U.S. utilizing two modeling systems. It is illustrated that correlations were ins...

From HADES to PARADISE—atomistic simulation of defects in minerals

NASA Astrophysics Data System (ADS)

Parker, Stephen C.; Cooke, David J.; Kerisit, Sebastien; Marmier, Arnaud S.; Taylor, Sarah L.; Taylor, Stuart N.

2004-07-01

The development of the HADES code by Michael Norgett in the 1970s enabled, for the first time, the routine simulation of point defects in inorganic solids at the atomic scale. Using examples from current research we illustrate how the scope and applications of atomistic simulations have widened with time and yet still follow an approach readily identifiable with this early work. Firstly we discuss the use of the Mott-Littleton methodology to study the segregation of various isovalent cations to the (00.1) and (01.2) surfaces of haematite (agr-Fe2O3). The results show that the size of the impurities has a considerable effect on the magnitude of the segregation energy. We then extend these simulations to investigate the effect of the concentration of the impurities at the surface on the segregation process using a supercell approach. We consider next the effect of segregation to stepped surfaces illustrating this with recent work on segregation of La3+ to CaF2 surfaces, which show enhanced segregation to step edges. We discuss next the application of lattice dynamics to modelling point defects in complex oxide materials by applying this to the study of hydrogen incorporation into bgr-Mg2SiO4. Finally our attention is turned to a method for considering the surface energy of physically defective surfaces and we illustrate its approach by considering the low index surfaces of agr-Al2O3.

The Brain in its Body: Motor Control and Sensing in a Biomechanical Context

PubMed Central

Chiel, Hillel J.; Ting, Lena H.; Ekeberg, Orjan; Hartmann, Mitra J. Z.

2009-01-01

Although it is widely recognized that adaptive behavior emerges from the ongoing interactions among the nervous system, the body, and the environment, it has only become possible in recent years to experimentally study and to simulate these interacting systems. We briefly review work on molluscan feeding, maintenance of postural control in cats and humans, simulations of locomotion in lamprey, insect, cat and salamander, and active vibrissal sensing in rats to illustrate the insights that can be derived from studies of neural control and sensing within a biomechanical context. These studies illustrate that control may be shared between the nervous system and the periphery, that neural activity organizes degrees of freedom into biomechanically meaningful subsets, that mechanics alone may play crucial roles in enforcing gait patterns, and that mechanics of sensors is crucial for their function. PMID:19828793

Comment on "Spontaneous liquid-liquid phase separation of water".

PubMed

Limmer, David T; Chandler, David

2015-01-01

Yagasaki et al. [Phys. Rev. E 89, 020301 (2014)] present results from a molecular dynamics trajectory illustrating coarsening of ice, which they interpret as evidence of transient coexistence between two distinct supercooled phases of liquid water. We point out that neither two distinct liquids nor criticality are demonstrated in this simulation study. Instead, the illustrated trajectory is consistent with coarsening behaviors analyzed and predicted in earlier work by others.

Radar and microphysical characteristics of convective storms simulated from a numerical model using a new microphysical parameterization

NASA Technical Reports Server (NTRS)

Ferrier, Brad S.; Tao, Wei-Kuo; Simpson, Joanne

1991-01-01

The basic features of a new and improved bulk-microphysical parameterization capable of simulating the hydrometeor structure of convective systems in all types of large-scale environments (with minimal adjustment of coefficients) are studied. Reflectivities simulated from the model are compared with radar observations of an intense midlatitude convective system. Simulated reflectivities using the novel four-class ice scheme with a microphysical parameterization rain distribution at 105 min are illustrated. Preliminary results indicate that this new ice scheme works efficiently in simulating midlatitude continental storms.

Electromagnetic Showers at High Energy

ERIC Educational Resources Information Center

Loos, J. S.; Dawson, S. L.

1978-01-01

Some of the properties of electromagnetic showers observed in an experimental study are illustrated. Experimental data and results from quantum electrodynamics are discussed. Data and theory are compared using computer simulation. (BB)

Conducting Simulation Studies in the R Programming Environment.

PubMed

Hallgren, Kevin A

2013-10-12

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

'Towers in the Tempest' Computer Animation Submission

NASA Technical Reports Server (NTRS)

Shirah, Greg

2008-01-01

The following describes a computer animation that has been submitted to the ACM/SIGGRAPH 2008 computer graphics conference: 'Towers in the Tempest' clearly communicates recent scientific research into how hurricanes intensify. This intensification can be caused by a phenomenon called a 'hot tower.' For the first time, research meteorologists have run complex atmospheric simulations at a very fine temporal resolution of 3 minutes. Combining this simulation data with satellite observations enables detailed study of 'hot towers.' The science of 'hot towers' is described using: satellite observation data, conceptual illustrations, and a volumetric atmospheric simulation data. The movie starts by showing a 'hot tower' observed by NASA's Tropical Rainfall Measuring Mission (TRMM) spacecraft's three dimensional precipitation radar data of Hurricane Bonnie. Next, the dynamics of a hurricane and the formation of 'hot towers' are briefly explained using conceptual illustrations. Finally, volumetric cloud, wind, and vorticity data from a supercomputer simulation of Hurricane Bonnie are shown using volume techniques such as ray marching.

Connecting the Links: Narratives, Simulations and Serious Games in Prehospital Training.

PubMed

Heldal, Ilona; Backlund, Per; Johannesson, Mikael; Lebram, Mikael; Lundberg, Lars

2017-01-01

Due to rapid and substantial changes in the health sector, collaboration and supporting technologies get more into focus. Changes in education and training are also required. Simulations and serious games (SSG) are often advocated as promising technologies supporting training of many and in the same manner, or increasing the skills necessary to deal with new, dangerous, complex or unexpected situations. The aim of this paper is to illustrate and discuss resources needed for planning and performing collaborative contextual training scenarios. Based on a practical study involving prehospital nurses and different simulator technologies the often-recurring activity chains in prehospital training were trained. This paper exemplifies the benefit of using narratives and SSGs for contextual training contributing to higher user experiences. The benefits of using simulation technologies aligned by processes can be easier defined by narratives from practitioners. While processes help to define more efficient and effective training, narratives and SSGs are beneficial to design scenarios with clues for higher user experiences. By discussing illustrative examples, the paper contributes to better understanding of how to plan simulation-technology rich training scenarios.

Bio-Inspired Multi-Functional Drug Transport Design Concept and Simulations.

PubMed

Pidaparti, Ramana M; Cartin, Charles; Su, Guoguang

2017-04-25

In this study, we developed a microdevice concept for drug/fluidic transport taking an inspiration from supramolecular motor found in biological cells. Specifically, idealized multi-functional design geometry (nozzle/diffuser/nozzle) was developed for (i) fluidic/particle transport; (ii) particle separation; and (iii) droplet generation. Several design simulations were conducted to demonstrate the working principles of the multi-functional device. The design simulations illustrate that the proposed design concept is feasible for multi-functionality. However, further experimentation and optimization studies are needed to fully evaluate the multifunctional device concept for multiple applications.

A Random Variable Approach to Nuclear Targeting and Survivability

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

Undem, Halvor A.

We demonstrate a common mathematical formalism for analyzing problems in nuclear survivability and targeting. This formalism, beginning with a random variable approach, can be used to interpret past efforts in nuclear-effects analysis, including targeting analysis. It can also be used to analyze new problems brought about by the post Cold War Era, such as the potential effects of yield degradation in a permanently untested nuclear stockpile. In particular, we illustrate the formalism through four natural case studies or illustrative problems, linking these to actual past data, modeling, and simulation, and suggesting future uses. In the first problem, we illustrate themore » case of a deterministically modeled weapon used against a deterministically responding target. Classic "Cookie Cutter" damage functions result. In the second problem, we illustrate, with actual target test data, the case of a deterministically modeled weapon used against a statistically responding target. This case matches many of the results of current nuclear targeting modeling and simulation tools, including the result of distance damage functions as complementary cumulative lognormal functions in the range variable. In the third problem, we illustrate the case of a statistically behaving weapon used against a deterministically responding target. In particular, we show the dependence of target damage on weapon yield for an untested nuclear stockpile experiencing yield degradation. Finally, and using actual unclassified weapon test data, we illustrate in the fourth problem the case of a statistically behaving weapon used against a statistically responding target.« less

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.

Evaluating Computer-Based Simulations, Multimedia and Animations that Help Integrate Blended Learning with Lectures in First Year Statistics

ERIC Educational Resources Information Center

Neumann, David L.; Neumann, Michelle M.; Hood, Michelle

2011-01-01

The discipline of statistics seems well suited to the integration of technology in a lecture as a means to enhance student learning and engagement. Technology can be used to simulate statistical concepts, create interactive learning exercises, and illustrate real world applications of statistics. The present study aimed to better understand the…

Comparison of theory and direct numerical simulations of drag reduction by rodlike polymers in turbulent channel flows.

PubMed

Benzi, Roberto; Ching, Emily S C; De Angelis, Elisabetta; Procaccia, Itamar

2008-04-01

Numerical simulations of turbulent channel flows, with or without additives, are limited in the extent of the Reynolds number (Re) and Deborah number (De). The comparison of such simulations to theories of drag reduction, which are usually derived for asymptotically high Re and De, calls for some care. In this paper we present a study of drag reduction by rodlike polymers in a turbulent channel flow using direct numerical simulation and illustrate how these numerical results should be related to the recently developed theory.

Modeling the data management system of Space Station Freedom with DEPEND

NASA Technical Reports Server (NTRS)

Olson, Daniel P.; Iyer, Ravishankar K.; Boyd, Mark A.

1993-01-01

Some of the features and capabilities of the DEPEND simulation-based modeling tool are described. A study of a 1553B local bus subsystem of the Space Station Freedom Data Management System (SSF DMS) is used to illustrate some types of system behavior that can be important to reliability and performance evaluations of this type of spacecraft. A DEPEND model of the subsystem is used to illustrate how these types of system behavior can be modeled, and shows what kinds of engineering and design questions can be answered through the use of these modeling techniques. DEPEND's process-based simulation environment is shown to provide a flexible method for modeling complex interactions between hardware and software elements of a fault-tolerant computing system.

Design Support System for Coloring Illustrations by Using the Colors Preferred by a User as Determined from the Hue Patterns of Illustrations Prepared by that User

NASA Astrophysics Data System (ADS)

Fukai, Hironobu; Mitsukura, Yasue

We propose a new design support system that can color illustrations according to a person's color preferences that are determined on the basis of the color patterns of illustrations prepared by that person. Recently, many design tools for promoting free design have been developed. However, preferences for various colors differ depending on individual personality. Therefore, a system that can automatically color various designs on the basis of human preference is required. In this study, we propose an automatic modeling system that can be used to model illustrations. To verify the effectiveness of the proposed system, we simulate a coloring design experiment to determine the color patterns preferred by some subjects by using various design data. By using the design data, we determine each subjects preferred color pattern, and send feedback on these individual color patterns to the proposed system.

Comment on "Spontaneous liquid-liquid phase separation of water"

NASA Astrophysics Data System (ADS)

Limmer, David T.; Chandler, David

2015-01-01

Yagasaki et al. [Phys. Rev. E 89, 020301 (2014), 10.1103/PhysRevE.89.020301] present results from a molecular dynamics trajectory illustrating coarsening of ice, which they interpret as evidence of transient coexistence between two distinct supercooled phases of liquid water. We point out that neither two distinct liquids nor criticality are demonstrated in this simulation study. Instead, the illustrated trajectory is consistent with coarsening behaviors analyzed and predicted in earlier work by others.

Study of HV Dielectrics for High Frequency Operation in Linear & Nonlinear Transmission Lines & Simulation & Development of Hybrid Nonlinear Lines for RF Generation

DTIC Science & Technology

2015-08-27

applied reverse voltage [8], [9]. In this report, the experimental results of a varactor diode NLTL built with 30 sections are presented. Besides, Spice ...capacitive line (NLCL) using commercial BT and PZT ceramic capacitors. Corresponding NLCL Spice simulation is provided for comparison with experimental...the output pulse. In special for PZT, Spice simulation of a line with respective linear capacitors illustrates its weak nonlinearity as the

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

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

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

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

Tracking the Gender Pay Gap: A Case Study

ERIC Educational Resources Information Center

Travis, Cheryl B.; Gross, Louis J.; Johnson, Bruce A.

2009-01-01

This article provides a short introduction to standard considerations in the formal study of wages and illustrates the use of multiple regression and resampling simulation approaches in a case study of faculty salaries at one university. Multiple regression is especially beneficial where it provides information on strength of association, specific…

Physical and subjective studies of aircraft interior noise and vibration

NASA Technical Reports Server (NTRS)

Stephens, D. G.; Leatherwood, J. D.

1979-01-01

Measurements to define and quantify the interior noise and vibration stimuli of aircraft are reviewed as well as field and simulation studies to determine the subjective response to such stimuli, and theoretical and experimental studies to predict and control the interior environment. In addition, ride quality criteria/standards for noise, vibration, and combinations of these stimuli are discussed in relation to the helicopter cabin environment. Data on passenger response are presented to illustrate the effects of interior noise and vibration on speech intelligibility and comfort of crew and passengers. The interactive effects of noise with multifrequency and multiaxis vibration are illustrated by data from LaRC ride quality simulator. Constant comfort contours for various combinations of noise and vibration are presented and the incorporation of these results into a user-oriented model are discussed. With respect to aircraft interior noise and vibration control, ongoing studies to define the near-field noise, the transmission of noise through the structure, and the effectiveness of control treatments are described.

Design and performance characterization strategy using modeling for biofiltration control of odorous hydrogen sulfide.

PubMed

Martin, Ronald W; Mihelcic, James R; Crittenden, John C

2004-07-01

Biofilter, dynamic modeling software characterizing contaminant removal via biofiltration, was used in the preliminary design of a biofilter to treat odorous hydrogen sulfide (H2S). Steady-state model simulations were run to generate performance plots for various influent concentrations, loadings, residence times, media sizes, and temperatures. Although elimination capacity and removal efficiency frequently are used to characterize biofilter performance, effluent concentration can be used to characterize performance when treating to a target effluent concentration. Model simulations illustrate that, at a given temperature, a biofilter cannot reduce H2S emissions below a minimum value, no matter how large the biofilter or how long the residence time. However, a higher biofilter temperature results in lower effluent H2S concentrations. Because dynamic model simulations show that shock loading can significantly increase the effluent concentration above values predicted by the steady-state model simulations, it is recommended that, to consistently meet treatment objectives, dynamic feed conditions should be considered. This study illustrates that modeling can serve as a valuable tool in the design and performance optimization of biofilters.

Planning and navigation as active inference.

PubMed

Kaplan, Raphael; Friston, Karl J

2018-03-23

This paper introduces an active inference formulation of planning and navigation. It illustrates how the exploitation-exploration dilemma is dissolved by acting to minimise uncertainty (i.e. expected surprise or free energy). We use simulations of a maze problem to illustrate how agents can solve quite complicated problems using context sensitive prior preferences to form subgoals. Our focus is on how epistemic behaviour-driven by novelty and the imperative to reduce uncertainty about the world-contextualises pragmatic or goal-directed behaviour. Using simulations, we illustrate the underlying process theory with synthetic behavioural and electrophysiological responses during exploration of a maze and subsequent navigation to a target location. An interesting phenomenon that emerged from the simulations was a putative distinction between 'place cells'-that fire when a subgoal is reached-and 'path cells'-that fire until a subgoal is reached.

Bio-Inspired Multi-Functional Drug Transport Design Concept and Simulations †

PubMed Central

Pidaparti, Ramana M.; Cartin, Charles; Su, Guoguang

2017-01-01

In this study, we developed a microdevice concept for drug/fluidic transport taking an inspiration from supramolecular motor found in biological cells. Specifically, idealized multi-functional design geometry (nozzle/diffuser/nozzle) was developed for (i) fluidic/particle transport; (ii) particle separation; and (iii) droplet generation. Several design simulations were conducted to demonstrate the working principles of the multi-functional device. The design simulations illustrate that the proposed design concept is feasible for multi-functionality. However, further experimentation and optimization studies are needed to fully evaluate the multifunctional device concept for multiple applications. PMID:28952516

Reaction-mediated entropic effect on phase separation in a binary polymer system

NASA Astrophysics Data System (ADS)

Sun, Shujun; Guo, Miaocai; Yi, Xiaosu; Zhang, Zuoguang

2017-10-01

We present a computer simulation to study the phase separation behavior induced by polymerization in a binary system comprising polymer chains and reactive monomers. We examined the influence of interaction parameter between components and monomer concentration on the reaction-induced phase separation. The simulation results demonstrate that increasing interaction parameter (enthalpic effect) would accelerate phase separation, while entropic effect plays a key role in the process of phase separation. Furthermore, scanning electron microscopy observations illustrate identical morphologies as found in theoretical simulation. This study may enrich our comprehension of phase separation in polymer mixture.

Detailed measurements of shower properties in a high granularity digital electromagnetic calorimeter

NASA Astrophysics Data System (ADS)

van der Kolk, N.

2018-03-01

The MAPS (Monolithic Active Pixel Sensors) prototype of the proposed ALICE Forward Calorimeter (FoCal) is the highest granularity electromagnetic calorimeter, with 39 million pixels with a size of 30 × 30 μm2. Particle showers can be studied with unprecedented detail with this prototype. Electromagnetic showers at energies between 2 GeV and 244 GeV have been studied and compared with GEANT4 simulations. Simulation models can be tested in more detail than ever before and the differences observed between FoCal data and GEANT4 simulations illustrate that improvements in electromagnetic models are still possible.

Prospects for Simulation and Gaming in Mathematics and Science Education

ERIC Educational Resources Information Center

Bloomer, Jacquetta

1974-01-01

The growth and potential of simulation and gaming techniques are examined in pure science, applied science and mathematics. The contribution of simulations, simulation games and non-simulation games are separately assessed with selective illustrations; in particular, indications for using simulated, as opposed to "live," experiments in science…

Instrumented Architectural Simulation System

NASA Technical Reports Server (NTRS)

Delagi, B. A.; Saraiya, N.; Nishimura, S.; Byrd, G.

1987-01-01

Simulation of systems at an architectural level can offer an effective way to study critical design choices if (1) the performance of the simulator is adequate to examine designs executing significant code bodies, not just toy problems or small application fragements, (2) the details of the simulation include the critical details of the design, (3) the view of the design presented by the simulator instrumentation leads to useful insights on the problems with the design, and (4) there is enough flexibility in the simulation system so that the asking of unplanned questions is not suppressed by the weight of the mechanics involved in making changes either in the design or its measurement. A simulation system with these goals is described together with the approach to its implementation. Its application to the study of a particular class of multiprocessor hardware system architectures is illustrated.

Three- and two-dimensional simulations of counter-propagating shear experiments at high energy densities at the National Ignition Facility

DOE PAGES

Wang, Ping; Zhou, Ye; MacLaren, Stephan A.; ...

2015-11-06

Three- and two-dimensional numerical studies have been carried out to simulate recent counter-propagating shear flow experiments on the National Ignition Facility. A multi-physics three-dimensional, time-dependent radiation hydrodynamics simulation code is used. Using a Reynolds Averaging Navier-Stokes model, we show that the evolution of the mixing layer width obtained from the simulations agrees well with that measured from the experiments. A sensitivity study is conducted to illustrate a 3D geometrical effect that could confuse the measurement at late times, if the energy drives from the two ends of the shock tube are asymmetric. Implications for future experiments are discussed.

Simulation of Mirror Electron Microscopy Caustic Images in Three-Dimensions

NASA Astrophysics Data System (ADS)

Kennedy, S. M.; Zheng, C. X.; Jesson, D. E.

A full, three-dimensional (3D) ray tracing approach is developed to simulate the caustics visible in mirror electron microscopy (MEM). The method reproduces MEM image contrast resulting from 3D surface relief. To illustrate the potential of the simulation methods, we study the evolution of crater contrast associated with a movie of GaAs structures generated by the droplet epitaxy technique. Specifically, we simulate the image contrast resulting from both a precursor stage and the final crater morphology which is consistent with an inverted pyramid consisting of (111) facet walls. The method therefore facilities the study of how self-assembled quantum structures evolve with time and, in particular, the development of anisotropic features including faceting.

Maximum Likelihood Estimation of Nonlinear Structural Equation Models.

ERIC Educational Resources Information Center

Lee, Sik-Yum; Zhu, Hong-Tu

2002-01-01

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

Characterizing representational learning: A combined simulation and tutorial on perturbation theory

NASA Astrophysics Data System (ADS)

Kohnle, Antje; Passante, Gina

2017-12-01

Analyzing, constructing, and translating between graphical, pictorial, and mathematical representations of physics ideas and reasoning flexibly through them ("representational competence") is a key characteristic of expertise in physics but is a challenge for learners to develop. Interactive computer simulations and University of Washington style tutorials both have affordances to support representational learning. This article describes work to characterize students' spontaneous use of representations before and after working with a combined simulation and tutorial on first-order energy corrections in the context of quantum-mechanical time-independent perturbation theory. Data were collected from two institutions using pre-, mid-, and post-tests to assess short- and long-term gains. A representational competence level framework was adapted to devise level descriptors for the assessment items. The results indicate an increase in the number of representations used by students and the consistency between them following the combined simulation tutorial. The distributions of representational competence levels suggest a shift from perceptual to semantic use of representations based on their underlying meaning. In terms of activity design, this study illustrates the need to support students in making sense of the representations shown in a simulation and in learning to choose the most appropriate representation for a given task. In terms of characterizing representational abilities, this study illustrates the usefulness of a framework focusing on perceptual, syntactic, and semantic use of representations.

Start-to-end simulation of the shot-noise driven microbunching instability experiment at the Linac Coherent Light Source

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

Qiang, J.; Ding, Y.; Emma, P.

The shot-noise driven microbunching instability can significantly degrade electron beam quality in x-ray free electron laser light sources. Experiments were carried out at the Linac Coherent Light Source (LCLS) to study this instability. Here in this paper, we present start-to-end simulations of the shot-noise driven microbunching instability experiment at the LCLS using the real number of electrons. The simulation results reproduce the measurements quite well. A microbunching self-heating mechanism is also illustrated in the simulation, which helps explain the experimental observation.

Start-to-end simulation of the shot-noise driven microbunching instability experiment at the Linac Coherent Light Source

DOE PAGES

Qiang, J.; Ding, Y.; Emma, P.; ...

2017-05-23

The shot-noise driven microbunching instability can significantly degrade electron beam quality in x-ray free electron laser light sources. Experiments were carried out at the Linac Coherent Light Source (LCLS) to study this instability. Here in this paper, we present start-to-end simulations of the shot-noise driven microbunching instability experiment at the LCLS using the real number of electrons. The simulation results reproduce the measurements quite well. A microbunching self-heating mechanism is also illustrated in the simulation, which helps explain the experimental observation.

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

NASA Technical Reports Server (NTRS)

1974-01-01

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

Dose Titration Algorithm Tuning (DTAT) should supersede 'the' Maximum Tolerated Dose (MTD) in oncology dose-finding trials.

PubMed

Norris, David C

2017-01-01

Background . Absent adaptive, individualized dose-finding in early-phase oncology trials, subsequent 'confirmatory' Phase III trials risk suboptimal dosing, with resulting loss of statistical power and reduced probability of technical success for the investigational therapy. While progress has been made toward explicitly adaptive dose-finding and quantitative modeling of dose-response relationships, most such work continues to be organized around a concept of 'the' maximum tolerated dose (MTD). The purpose of this paper is to demonstrate concretely how the aim of early-phase trials might be conceived, not as 'dose-finding', but as dose titration algorithm (DTA) -finding. Methods. A Phase I dosing study is simulated, for a notional cytotoxic chemotherapy drug, with neutropenia constituting the critical dose-limiting toxicity. The drug's population pharmacokinetics and myelosuppression dynamics are simulated using published parameter estimates for docetaxel. The amenability of this model to linearization is explored empirically. The properties of a simple DTA targeting neutrophil nadir of 500 cells/mm 3 using a Newton-Raphson heuristic are explored through simulation in 25 simulated study subjects. Results. Individual-level myelosuppression dynamics in the simulation model approximately linearize under simple transformations of neutrophil concentration and drug dose. The simulated dose titration exhibits largely satisfactory convergence, with great variance in individualized optimal dosing. Some titration courses exhibit overshooting. Conclusions. The large inter-individual variability in simulated optimal dosing underscores the need to replace 'the' MTD with an individualized concept of MTD i . To illustrate this principle, the simplest possible DTA capable of realizing such a concept is demonstrated. Qualitative phenomena observed in this demonstration support discussion of the notion of tuning such algorithms. Although here illustrated specifically in relation to cytotoxic chemotherapy, the DTAT principle appears similarly applicable to Phase I studies of cancer immunotherapy and molecularly targeted agents.

Monte Carlo Computer Simulation of a Rainbow.

ERIC Educational Resources Information Center

Olson, Donald; And Others

1990-01-01

Discusses making a computer-simulated rainbow using principles of physics, such as reflection and refraction. Provides BASIC program for the simulation. Appends a program illustrating the effects of dispersion of the colors. (YP)

Simulating Dynamic Equilibria: A Class Experiment

NASA Astrophysics Data System (ADS)

Harrison, John A.; Buckley, Paul D.

2000-08-01

A first-order reversible reaction is simulated on an overhead projector using small coins or discs. A simulation is carried out in which initially there are 24 discs representing reactant A and none representing reactant B. At the end of each minute half of the reactant A discs get converted to reactant B, and one quarter of the reactant B discs get converted to reactant A discs. Equilibrium is established with 8 A discs and 16 B discs, and no further net change is observed as the simulation continues. Another simulation beginning with 48 A discs and 0 B discs leads at equilibrium to 16 A discs and 32 B discs. These results illustrate how dynamic equilibria are established and allow the introduction of the concept of an equilibrium constant. Le Châtelier's principle is illustrated by further simulations.

Nonlinear intrinsic variables and state reconstruction in multiscale simulations

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

Dsilva, Carmeline J., E-mail: cdsilva@princeton.edu; Talmon, Ronen, E-mail: ronen.talmon@yale.edu; Coifman, Ronald R., E-mail: coifman@math.yale.edu

2013-11-14

Finding informative low-dimensional descriptions of high-dimensional simulation data (like the ones arising in molecular dynamics or kinetic Monte Carlo simulations of physical and chemical processes) is crucial to understanding physical phenomena, and can also dramatically assist in accelerating the simulations themselves. In this paper, we discuss and illustrate the use of nonlinear intrinsic variables (NIV) in the mining of high-dimensional multiscale simulation data. In particular, we focus on the way NIV allows us to functionally merge different simulation ensembles, and different partial observations of these ensembles, as well as to infer variables not explicitly measured. The approach relies on certainmore » simple features of the underlying process variability to filter out measurement noise and systematically recover a unique reference coordinate frame. We illustrate the approach through two distinct sets of atomistic simulations: a stochastic simulation of an enzyme reaction network exhibiting both fast and slow time scales, and a molecular dynamics simulation of alanine dipeptide in explicit water.« less

Nonlinear intrinsic variables and state reconstruction in multiscale simulations

NASA Astrophysics Data System (ADS)

Dsilva, Carmeline J.; Talmon, Ronen; Rabin, Neta; Coifman, Ronald R.; Kevrekidis, Ioannis G.

2013-11-01

Finding informative low-dimensional descriptions of high-dimensional simulation data (like the ones arising in molecular dynamics or kinetic Monte Carlo simulations of physical and chemical processes) is crucial to understanding physical phenomena, and can also dramatically assist in accelerating the simulations themselves. In this paper, we discuss and illustrate the use of nonlinear intrinsic variables (NIV) in the mining of high-dimensional multiscale simulation data. In particular, we focus on the way NIV allows us to functionally merge different simulation ensembles, and different partial observations of these ensembles, as well as to infer variables not explicitly measured. The approach relies on certain simple features of the underlying process variability to filter out measurement noise and systematically recover a unique reference coordinate frame. We illustrate the approach through two distinct sets of atomistic simulations: a stochastic simulation of an enzyme reaction network exhibiting both fast and slow time scales, and a molecular dynamics simulation of alanine dipeptide in explicit water.

Effect of Oxide Interface Roughness on the Threshold Voltage Fluctuations in Decanano MOSFETs with Ultrathin Gate Oxides

NASA Technical Reports Server (NTRS)

Asenov, Asen; Kaya, S.

2000-01-01

In this paper we use the Density Gradient (DG) simulation approach to study, in 3-D, the effect of local oxide thickness fluctuations on the threshold voltage of decanano MOSFETs on a statistical scale. The random 2-D surfaces used to represent the interface are constructed using the standard assumptions for the auto-correlation function of the interface. The importance of the Quantum Mechanical effects when studying oxide thickness fluctuations are illustrated in several simulation examples.

Monte Carlo simulations in X-ray imaging

NASA Astrophysics Data System (ADS)

Giersch, Jürgen; Durst, Jürgen

2008-06-01

Monte Carlo simulations have become crucial tools in many fields of X-ray imaging. They help to understand the influence of physical effects such as absorption, scattering and fluorescence of photons in different detector materials on image quality parameters. They allow studying new imaging concepts like photon counting, energy weighting or material reconstruction. Additionally, they can be applied to the fields of nuclear medicine to define virtual setups studying new geometries or image reconstruction algorithms. Furthermore, an implementation of the propagation physics of electrons and photons allows studying the behavior of (novel) X-ray generation concepts. This versatility of Monte Carlo simulations is illustrated with some examples done by the Monte Carlo simulation ROSI. An overview of the structure of ROSI is given as an example of a modern, well-proven, object-oriented, parallel computing Monte Carlo simulation for X-ray imaging.

Chaos in the Classroom.

ERIC Educational Resources Information Center

Jackett, Dwane

1990-01-01

Described is a science activity which illustrates the principle of uncertainty using a computer simulation of bacterial reproduction. Procedures and results are discussed. Several illustrations of results are provided. The availability of a computer program is noted. (CW)

specsim: A Fortran-77 program for conditional spectral simulation in 3D

NASA Astrophysics Data System (ADS)

Yao, Tingting

1998-12-01

A Fortran 77 program, specsim, is presented for conditional spectral simulation in 3D domains. The traditional Fourier integral method allows generating random fields with a given covariance spectrum. Conditioning to local data is achieved by an iterative identification of the conditional phase information. A flowchart of the program is given to illustrate the implementation procedures of the program. A 3D case study is presented to demonstrate application of the program. A comparison with the traditional sequential Gaussian simulation algorithm emphasizes the advantages and drawbacks of the proposed algorithm.

Computing the apparent centroid of radar targets

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

Lee, C.E.

1996-12-31

A high-frequency multibounce radar scattering code was used as a simulation platform for demonstrating an algorithm to compute the ARC of specific radar targets. To illustrate this simulation process, several targets models were used. Simulation results for a sphere model were used to determine the errors of approximation associated with the simulation; verifying the process. The severity of glint induced tracking errors was also illustrated using a model of an F-15 aircraft. It was shown, in a deterministic manner, that the ARC of a target can fall well outside its physical extent. Finally, the apparent radar centroid simulation based onmore » a ray casting procedure is well suited for use on most massively parallel computing platforms and could lead to the development of a near real-time radar tracking simulation for applications such as endgame fuzing, survivability, and vulnerability analyses using specific radar targets and fuze algorithms.« less

Cell illustrator 4.0: a computational platform for systems biology.

PubMed

Nagasaki, Masao; Saito, Ayumu; Jeong, Euna; Li, Chen; Kojima, Kaname; Ikeda, Emi; Miyano, Satoru

2011-01-01

Cell Illustrator is a software platform for Systems Biology that uses the concept of Petri net for modeling and simulating biopathways. It is intended for biological scientists working at bench. The latest version of Cell Illustrator 4.0 uses Java Web Start technology and is enhanced with new capabilities, including: automatic graph grid layout algorithms using ontology information; tools using Cell System Markup Language (CSML) 3.0 and Cell System Ontology 3.0; parameter search module; high-performance simulation module; CSML database management system; conversion from CSML model to programming languages (FORTRAN, C, C++, Java, Python and Perl); import from SBML, CellML, and BioPAX; and, export to SVG and HTML. Cell Illustrator employs an extension of hybrid Petri net in an object-oriented style so that biopathway models can include objects such as DNA sequence, molecular density, 3D localization information, transcription with frame-shift, translation with codon table, as well as biochemical reactions.

Cell Illustrator 4.0: a computational platform for systems biology.

PubMed

Nagasaki, Masao; Saito, Ayumu; Jeong, Euna; Li, Chen; Kojima, Kaname; Ikeda, Emi; Miyano, Satoru

2010-01-01

Cell Illustrator is a software platform for Systems Biology that uses the concept of Petri net for modeling and simulating biopathways. It is intended for biological scientists working at bench. The latest version of Cell Illustrator 4.0 uses Java Web Start technology and is enhanced with new capabilities, including: automatic graph grid layout algorithms using ontology information; tools using Cell System Markup Language (CSML) 3.0 and Cell System Ontology 3.0; parameter search module; high-performance simulation module; CSML database management system; conversion from CSML model to programming languages (FORTRAN, C, C++, Java, Python and Perl); import from SBML, CellML, and BioPAX; and, export to SVG and HTML. Cell Illustrator employs an extension of hybrid Petri net in an object-oriented style so that biopathway models can include objects such as DNA sequence, molecular density, 3D localization information, transcription with frame-shift, translation with codon table, as well as biochemical reactions.

Energy-efficient container handling using hybrid model predictive control

NASA Astrophysics Data System (ADS)

Xin, Jianbin; Negenborn, Rudy R.; Lodewijks, Gabriel

2015-11-01

The performance of container terminals needs to be improved to adapt the growth of containers while maintaining sustainability. This paper provides a methodology for determining the trajectory of three key interacting machines for carrying out the so-called bay handling task, involving transporting containers between a vessel and the stacking area in an automated container terminal. The behaviours of the interacting machines are modelled as a collection of interconnected hybrid systems. Hybrid model predictive control (MPC) is proposed to achieve optimal performance, balancing the handling capacity and energy consumption. The underlying control problem is hereby formulated as a mixed-integer linear programming problem. Simulation studies illustrate that a higher penalty on energy consumption indeed leads to improved sustainability using less energy. Moreover, simulations illustrate how the proposed energy-efficient hybrid MPC controller performs under different types of uncertainties.

Dark Matter Hairs Around Earth

NASA Image and Video Library

2015-11-23

This illustration shows Earth surrounded by filaments of dark matter called "hairs," which are proposed in a study in the Astrophysical Journal by Gary Prézeau of NASA's Jet Propulsion Laboratory, Pasadena, California. A hair is created when a stream of dark matter particles goes through the planet. According to simulations, the hair is densest at a point called the "root." When particles of a dark matter stream pass through the core of Earth, they form a hair whose root has a particle density about a billion times greater than average. The hairs in this illustration are not to scale. Simulations show that the roots of such hairs can be 600,000 miles (1 million kilometers) from Earth, while Earth's radius is only about 4,000 miles (6,400 kilometers). http://photojournal.jpl.nasa.gov/catalog/PIA20176

Dark Matter Hairs Around Earth -- Close-up

NASA Image and Video Library

2015-11-23

This illustration shows Earth surrounded by filaments of dark matter called "hairs," which are proposed in a study in the Astrophysical Journal by Gary Prézeau of NASA's Jet Propulsion Laboratory, Pasadena, California. A hair is created when a stream of dark matter particles goes through the planet. According to simulations, the hair is densest at a point called the "root." When particles of a dark matter stream pass through the core of Earth, they form a hair whose root has a particle density about a billion times greater than average. The hairs in this illustration are not to scale. Simulations show that the roots of such hairs can be 600,000 miles (1 million kilometers) from Earth, while Earth's radius is only about 4,000 miles (6,400 kilometers). http://photojournal.jpl.nasa.gov/catalog/PIA20177

Skylab fluid mechanics simulations: Oscillation, rotation, collision and coalescence of water droplets under low-gravity environment

NASA Technical Reports Server (NTRS)

Vaughan, O. H., Jr.; Hung, R. J.

1975-01-01

Skylab 4 crew members performed a series of demonstrations showing the oscillations, rotations, as well as collision coalescence of water droplets which simulate various physical models of fluids under low gravity environment. The results from Skylab demonstrations provide information and illustrate the potential of an orbiting space-oriented research laboratory for the study of more sophisticated fluid mechanic experiments. Experiments and results are discussed.

Theoretical and Empirical Comparisons between Two Models for Continuous Item Responses.

ERIC Educational Resources Information Center

Ferrando, Pere J.

2002-01-01

Analyzed the relations between two continuous response models intended for typical response items: the linear congeneric model and Samejima's continuous response model (CRM). Illustrated the relations described using an empirical example and assessed the relations through a simulation study. (SLD)

Developing Tools for Research on School Leadership Development: An Illustrative Case of a Computer Simulation

ERIC Educational Resources Information Center

Showanasai, Parinya; Lu, Jiafang; Hallinger, Philip

2013-01-01

Purpose: The extant literature on school leadership development is dominated by conceptual analysis, descriptive studies of current practice, critiques of current practice, and prescriptions for better ways to approach practice. Relatively few studies have examined impact of leadership development using experimental methods, among which even fewer…

A Teaching Aid for Physiologists--Simulation of Kidney Function

ERIC Educational Resources Information Center

Packer, J. S.; Packer, J. E.

1977-01-01

Presented is the development of a simulation model of the facultative water transfer mechanism of the mammalian kidney. Discussion topics include simulation philosophy, simulation facilities, the model, and programming the model as a teaching aid. Graphs illustrate typical program displays. A listing of references concludes the article. (MA)

Computer Simulations as an Integral Part of Intermediate Macroeconomics.

ERIC Educational Resources Information Center

Millerd, Frank W.; Robertson, Alastair R.

1987-01-01

Describes the development of two interactive computer simulations which were fully integrated with other course materials. The simulations illustrate the effects of various real and monetary "demand shocks" on aggregate income, interest rates, and components of spending and economic output. Includes an evaluation of the simulations'…

Adaptive tracking for complex systems using reduced-order models

NASA Technical Reports Server (NTRS)

Carnigan, Craig R.

1990-01-01

Reduced-order models are considered in the context of parameter adaptive controllers for tracking workspace trajectories. A dual-arm manipulation task is used to illustrate the methodology and provide simulation results. A parameter adaptive controller is designed to track a payload trajectory using a four-parameter model instead of the full-order, nine-parameter model. Several simulations with different payload-to-arm mass ratios are used to illustrate the capabilities of the reduced-order model in tracking the desired trajectory.

Adaptive tracking for complex systems using reduced-order models

NASA Technical Reports Server (NTRS)

Carignan, Craig R.

1990-01-01

Reduced-order models are considered in the context of parameter adaptive controllers for tracking workspace trajectories. A dual-arm manipulation task is used to illustrate the methodology and provide simulation results. A parameter adaptive controller is designed to track the desired position trajectory of a payload using a four-parameter model instead of a full-order, nine-parameter model. Several simulations with different payload-to-arm mass ratios are used to illustrate the capabilities of the reduced-order model in tracking the desired trajectory.

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 ...

Simulated Seasonal Spatio-Temporal Patterns of Soil Moisture, Temperature, and Net Radiation in a Deciduous Forest

NASA Technical Reports Server (NTRS)

Ballard, Jerrell R., Jr.; Howington, Stacy E.; Cinnella, Pasquale; Smith, James A.

2011-01-01

The temperature and moisture regimes in a forest are key components in the forest ecosystem dynamics. Observations and studies indicate that the internal temperature distribution and moisture content of the tree influence not only growth and development, but onset and cessation of cambial activity [1], resistance to insect predation[2], and even affect the population dynamics of the insects [3]. Moreover, temperature directly affects the uptake and metabolism of population from the soil into the tree tissue [4]. Additional studies show that soil and atmospheric temperatures are significant parameters that limit the growth of trees and impose treeline elevation limitation [5]. Directional thermal infrared radiance effects have long been observed in natural backgrounds [6]. In earlier work, we illustrated the use of physically-based models to simulate directional effects in thermal imaging [7-8]. In this paper, we illustrated the use of physically-based models to simulate directional effects in thermal, and net radiation in a adeciduous forest using our recently developed three-dimensional, macro-scale computational tool that simulates the heat and mass transfer interaction in a soil-root-stem systems (SRSS). The SRSS model includes the coupling of existing heat and mass transport tools to stimulate the diurnal internal and external temperatures, internal fluid flow and moisture distribution, and heat flow in the system.

Computerized Clinical Simulations.

ERIC Educational Resources Information Center

Reinecker, Lynn

1985-01-01

Describes technique involved in designing a clinical simulation problem for the allied health field of respiratory therapy; discusses the structure, content, and scoring categories of the simulation; and provides a sample program which illustrates a programming technique in BASIC, including a program listing and a sample flowchart. (MBR)

An expert system for municipal solid waste management simulation analysis

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

Hsieh, M.C.; Chang, N.B.

1996-12-31

Optimization techniques were usually used to model the complicated metropolitan solid waste management system to search for the best dynamic combination of waste recycling, facility siting, and system operation, where sophisticated and well-defined interrelationship are required in the modeling process. But this paper applied the Concurrent Object-Oriented Simulation (COOS), a new simulation software construction method, to bridge the gap between the physical system and its computer representation. The case study of Kaohsiung solid waste management system in Taiwan is prepared for the illustration of the analytical methodology of COOS and its implementation in the creation of an expert system.

Integrodifference equations in patchy landscapes : II: population level consequences.

PubMed

Musgrave, Jeffrey; Lutscher, Frithjof

2014-09-01

We analyze integrodifference equations (IDEs) in patchy landscapes. Movement is described by a dispersal kernel that arises from a random walk model with patch dependent diffusion, settling, and mortality rates, and it incorporates individual behavior at an interface between two patch types. Growth follows a simple Beverton-Holt growth or linear decay. We obtain explicit formulae for the critical domain-size problem, and we illustrate how different individual behavior at the boundary between two patch types affects this quantity. We also study persistence conditions on an infinite, periodic, patchy landscape. We observe that if the population can persist on the landscape, the spatial profile of the invasion evolves into a discontinuous traveling periodic wave that moves with constant speed. Assuming linear determinacy, we calculate the dispersion relation and illustrate how movement behavior affects invasion speed. Numerical simulations justify our approach by showing a close correspondence between the spread rate obtained from the dispersion relation and from numerical simulations.

Designing simulator-based training: an approach integrating cognitive task analysis and four-component instructional design.

PubMed

Tjiam, Irene M; Schout, Barbara M A; Hendrikx, Ad J M; Scherpbier, Albert J J M; Witjes, J Alfred; van Merriënboer, Jeroen J G

2012-01-01

Most studies of simulator-based surgical skills training have focused on the acquisition of psychomotor skills, but surgical procedures are complex tasks requiring both psychomotor and cognitive skills. As skills training is modelled on expert performance consisting partly of unconscious automatic processes that experts are not always able to explicate, simulator developers should collaborate with educational experts and physicians in developing efficient and effective training programmes. This article presents an approach to designing simulator-based skill training comprising cognitive task analysis integrated with instructional design according to the four-component/instructional design model. This theory-driven approach is illustrated by a description of how it was used in the development of simulator-based training for the nephrostomy procedure.

Massively parallel quantum computer simulator

NASA Astrophysics Data System (ADS)

De Raedt, K.; Michielsen, K.; De Raedt, H.; Trieu, B.; Arnold, G.; Richter, M.; Lippert, Th.; Watanabe, H.; Ito, N.

2007-01-01

We describe portable software to simulate universal quantum computers on massive parallel computers. We illustrate the use of the simulation software by running various quantum algorithms on different computer architectures, such as a IBM BlueGene/L, a IBM Regatta p690+, a Hitachi SR11000/J1, a Cray X1E, a SGI Altix 3700 and clusters of PCs running Windows XP. We study the performance of the software by simulating quantum computers containing up to 36 qubits, using up to 4096 processors and up to 1 TB of memory. Our results demonstrate that the simulator exhibits nearly ideal scaling as a function of the number of processors and suggest that the simulation software described in this paper may also serve as benchmark for testing high-end parallel computers.

Conceptualization of preferential flow for hillslope stability assessment

NASA Astrophysics Data System (ADS)

Kukemilks, Karlis; Wagner, Jean-Frank; Saks, Tomas; Brunner, Philip

2018-03-01

This study uses two approaches to conceptualize preferential flow with the goal to investigate their influence on hillslope stability. Synthetic three-dimensional hydrogeological models using dual-permeability and discrete-fracture conceptualization were subsequently integrated into slope stability simulations. The slope stability simulations reveal significant differences in slope stability depending on the preferential flow conceptualization applied, despite similar small-scale hydrogeological responses of the system. This can be explained by a local-scale increase of pore-water pressures observed in the scenario with discrete fractures. The study illustrates the critical importance of correctly conceptualizing preferential flow for slope stability simulations. It further demonstrates that the combination of the latest generation of physically based hydrogeological models with slope stability simulations allows for improvement to current modeling approaches through more complex consideration of preferential flow paths.

Additional road markings as an indication of speed limits: results of a field experiment and a driving simulator study.

PubMed

Daniels, Stijn; Vanrie, Jan; Dreesen, An; Brijs, Tom

2010-05-01

Although speed limits are indicated by road signs, road users are not always aware, while driving, of the actual speed limit on a given road segment. The Roads and Traffic Agency developed additional road markings in order to support driver decisions on speed on 70 km/h roads in Flanders-Belgium. In this paper the results are presented of two evaluation studies, both a field study and a simulator study, on the effects of the additional road markings on speed behaviour. The results of the field study showed no substantial effect of the markings on speed behaviour. Neither did the simulator study, with slightly different stimuli. Nevertheless an effect on lateral position was noticed in the simulator study, showing at least some effect of the markings. The role of conspicuity of design elements and expectations towards traffic environments is discussed. Both studies illustrate well some strengths and weaknesses of observational field studies compared to experimental simulator studies. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

A general description of detachment for multidimensional modelling of biofilms.

PubMed

Xavier, Joao de Bivar; Picioreanu, Cristian; van Loosdrecht, Mark C M

2005-09-20

A general method for describing biomass detachment in multidimensional biofilm modelling is introduced. Biomass losses from processes acting on the entire surface of the biofilm, such as erosion, are modelled using a continuous detachment speed function F(det). Discrete detachment events, i.e. sloughing, are implicitly derived from simulations. The method is flexible to allow F(det) to take several forms, including expressions dependent on any state variables such as the local biofilm density. This methodology for biomass detachment was integrated with multidimensional (2D and 3D) particle-based multispecies biofilm models by using a novel application of the level set method. Application of the method is illustrated by trends in the dynamics of biofilms structure and activity derived from simulations performed on a simple model considering uniform biomass (case study I) and a model discriminating biomass composition in heterotrophic active mass, extracellular polymeric substances (EPS) and inert mass (case study II). Results from case study I demonstrate the effect of applied detachment forces as a fundamental factor influencing steady-state biofilm activity and structure. Trends from experimental observations reported in literature were correctly described. For example, simulation results indicated that biomass sloughing is reduced when erosion forces are increased. Case study II illustrates the application of the detachment methodology to systems with non-uniform biomass composition. Simulations carried out at different bulk concentrations of substrate show changes in biofilm structure (in terms of shape, density and spatial distribution of biomass components) and activity (in terms of oxygen and substrate consumption) as a consequence of either oxygen-limited or substrate-limited growth. (c) 2005 Wiley Periodicals, Inc.

From laws of inference to protein folding dynamics.

PubMed

Tseng, Chih-Yuan; Yu, Chun-Ping; Lee, H C

2010-08-01

Protein folding dynamics is one of major issues constantly investigated in the study of protein functions. The molecular dynamic (MD) simulation with the replica exchange method (REM) is a common theoretical approach considered. Yet a trade-off in applying the REM is that the dynamics toward the native configuration in the simulations seems lost. In this work, we show that given REM-MD simulation results, protein folding dynamics can be directly derived from laws of inference. The applicability of the resulting approach, the entropic folding dynamics, is illustrated by investigating a well-studied Trp-cage peptide. Our results are qualitatively comparable with those from other studies. The current studies suggest that the incorporation of laws of inference and physics brings in a comprehensive perspective on exploring the protein folding dynamics.

Biases in Estimating Treatment Effects Due to Attrition in Randomized Controlled Trials and Cluster Randomized Controlled Trials: A Simulation Study

ERIC Educational Resources Information Center

Dong, Nianbo; Lipsey, Mark W.

2011-01-01

Attrition occurs when study participants who were assigned to the treatment and control conditions do not provide outcome data and thus do not contribute to the estimation of the treatment effects. It is very common in experimental studies in education as illustrated, for instance, in a meta-analysis studying "the effects of attrition on baseline…

Dose Titration Algorithm Tuning (DTAT) should supersede ‘the’ Maximum Tolerated Dose (MTD) in oncology dose-finding trials

PubMed Central

Norris, David C.

2017-01-01

Background. Absent adaptive, individualized dose-finding in early-phase oncology trials, subsequent ‘confirmatory’ Phase III trials risk suboptimal dosing, with resulting loss of statistical power and reduced probability of technical success for the investigational therapy. While progress has been made toward explicitly adaptive dose-finding and quantitative modeling of dose-response relationships, most such work continues to be organized around a concept of ‘the’ maximum tolerated dose (MTD). The purpose of this paper is to demonstrate concretely how the aim of early-phase trials might be conceived, not as ‘dose-finding’, but as dose titration algorithm (DTA)-finding. Methods. A Phase I dosing study is simulated, for a notional cytotoxic chemotherapy drug, with neutropenia constituting the critical dose-limiting toxicity. The drug’s population pharmacokinetics and myelosuppression dynamics are simulated using published parameter estimates for docetaxel. The amenability of this model to linearization is explored empirically. The properties of a simple DTA targeting neutrophil nadir of 500 cells/mm 3 using a Newton-Raphson heuristic are explored through simulation in 25 simulated study subjects. Results. Individual-level myelosuppression dynamics in the simulation model approximately linearize under simple transformations of neutrophil concentration and drug dose. The simulated dose titration exhibits largely satisfactory convergence, with great variance in individualized optimal dosing. Some titration courses exhibit overshooting. Conclusions. The large inter-individual variability in simulated optimal dosing underscores the need to replace ‘the’ MTD with an individualized concept of MTD i . To illustrate this principle, the simplest possible DTA capable of realizing such a concept is demonstrated. Qualitative phenomena observed in this demonstration support discussion of the notion of tuning such algorithms. Although here illustrated specifically in relation to cytotoxic chemotherapy, the DTAT principle appears similarly applicable to Phase I studies of cancer immunotherapy and molecularly targeted agents. PMID:28663782

Progress in Turbulence Detection via GNSS Occultation Data

NASA Technical Reports Server (NTRS)

Cornman, L. B.; Goodrich, R. K.; Axelrad, P.; Barlow, E.

2012-01-01

The increased availability of radio occultation (RO) data offers the ability to detect and study turbulence in the Earth's atmosphere. An analysis of how RO data can be used to determine the strength and location of turbulent regions is presented. This includes the derivation of a model for the power spectrum of the log-amplitude and phase fluctuations of the permittivity (or index of refraction) field. The bulk of the paper is then concerned with the estimation of the model parameters. Parameter estimators are introduced and some of their statistical properties are studied. These estimators are then applied to simulated log-amplitude RO signals. This includes the analysis of global statistics derived from a large number of realizations, as well as case studies that illustrate various specific aspects of the problem. Improvements to the basic estimation methods are discussed, and their beneficial properties are illustrated. The estimation techniques are then applied to real occultation data. Only two cases are presented, but they illustrate some of the salient features inherent in real data.

Participatory ergonomics simulation of hospital work systems: The influence of simulation media on simulation outcome.

PubMed

Andersen, Simone Nyholm; Broberg, Ole

2015-11-01

Current application of work system simulation in participatory ergonomics (PE) design includes a variety of different simulation media. However, the actual influence of the media attributes on the simulation outcome has received less attention. This study investigates two simulation media: full-scale mock-ups and table-top models. The aim is to compare, how the media attributes of fidelity and affordance influence the ergonomics identification and evaluation in PE design of hospital work systems. The results illustrate, how the full-scale mock-ups' high fidelity of room layout and affordance of tool operation support ergonomics identification and evaluation related to the work system entities space and technologies & tools. The table-top models' high fidelity of function relations and affordance of a helicopter view support ergonomics identification and evaluation related to the entity organization. Furthermore, the study addresses the form of the identified and evaluated conditions, being either identified challenges or tangible design criteria. Copyright © 2015 Elsevier Ltd and The Ergonomics Society. All rights reserved.

Simulation in Nursing Education-International Perspectives and Contemporary Scope of Practice.

PubMed

Kelly, Michelle A; Berragan, Elizabeth; Husebø, Sissel Eikeland; Orr, Fiona

2016-05-01

This article provides insights and perspectives from four experienced educators about their approaches to developing, delivering, and evaluating impactful simulation learning experiences for undergraduate nurses. A case study format has been used to illustrate the commonalities and differences of where simulation has been positioned within curricula, with examples of specialized clinical domains and others with a more generic focus. The importance of pedagogy in developing and delivering simulations is highlighted in each case study. A range of learning theories appropriate for healthcare simulations are a reminder of the commonalities across theories and that no one theory can account for the engaging and impactful learning that simulation elicits. Creating meaningful and robust learning experiences through simulation can benefit students' performance in subsequent clinical practice. The ability to rehearse particular clinical scenarios, which may be difficult to otherwise achieve, assists students in anticipating likely patient trajectories and understanding how to respond to patients, relatives, and others in the healthcare team. © 2016 Sigma Theta Tau International.

The Effects of Time Advance Mechanism on Simple Agent Behaviors in Combat Simulations

DTIC Science & Technology

2011-12-01

modeling packages that illustrate the differences between discrete-time simulation (DTS) and discrete-event simulation ( DES ) methodologies. Many combat... DES ) models , often referred to as “next-event” (Law and Kelton 2000) or discrete time simulation (DTS), commonly referred to as “time-step.” DTS...discrete-time simulation (DTS) and discrete-event simulation ( DES ) methodologies. Many combat models use DTS as their simulation time advance mechanism

Making an Ethical Decision: A Utilitarian Strategy.

ERIC Educational Resources Information Center

Price, Sandra J.

1992-01-01

By identifying and weighing the effects of an act on each constituency, a matrix based on John Stuart Mill's theories of utilitarianism illuminates and helps resolve complex ethical dilemmas. Application of the approach is illustrated with a simulated case study concerning the issue of reputation in a small private college. (Author/MSE)

Factor Analysis for Clustered Observations.

ERIC Educational Resources Information Center

Longford, N. T.; Muthen, B. O.

1992-01-01

A two-level model for factor analysis is defined, and formulas for a scoring algorithm for this model are derived. A simple noniterative method based on decomposition of total sums of the squares and cross-products is discussed and illustrated with simulated data and data from the Second International Mathematics Study. (SLD)

Integration of environmental simulation models with satellite remote sensing and geographic information systems technologies: case studies

USGS Publications Warehouse

Steyaert, Louis T.; Loveland, Thomas R.; Brown, Jesslyn F.; Reed, Bradley C.

1993-01-01

Environmental modelers are testing and evaluating a prototype land cover characteristics database for the conterminous United States developed by the EROS Data Center of the U.S. Geological Survey and the University of Nebraska Center for Advanced Land Management Information Technologies. This database was developed from multi temporal, 1-kilometer advanced very high resolution radiometer (AVHRR) data for 1990 and various ancillary data sets such as elevation, ecological regions, and selected climatic normals. Several case studies using this database were analyzed to illustrate the integration of satellite remote sensing and geographic information systems technologies with land-atmosphere interactions models at a variety of spatial and temporal scales. The case studies are representative of contemporary environmental simulation modeling at local to regional levels in global change research, land and water resource management, and environmental simulation modeling at local to regional levels in global change research, land and water resource management and environmental risk assessment. The case studies feature land surface parameterizations for atmospheric mesoscale and global climate models; biogenic-hydrocarbons emissions models; distributed parameter watershed and other hydrological models; and various ecological models such as ecosystem, dynamics, biogeochemical cycles, ecotone variability, and equilibrium vegetation models. The case studies demonstrate the important of multi temporal AVHRR data to develop to develop and maintain a flexible, near-realtime land cover characteristics database. Moreover, such a flexible database is needed to derive various vegetation classification schemes, to aggregate data for nested models, to develop remote sensing algorithms, and to provide data on dynamic landscape characteristics. The case studies illustrate how such a database supports research on spatial heterogeneity, land use, sensitivity analysis, and scaling issues involving regional extrapolations and parameterizations of dynamic land processes within simulation models.

Large Blast and Thermal Simulator Reflected Wave Eliminator Study

DTIC Science & Technology

1990-03-01

it delays the passage of this wave through the test section until after the test is complete. The required length of extra duct depends on the strength...tube axis, which acts like an additional contraction effect since Se = Sj/[Cqsin(aj)]. Tii extra area is illustrated best by plotting (Se-Ae)/Ac versus...34Simulation de Choc et de Soaffie. Comimpensateur d’Ondes de Detente de Bouche pour tube a Choc de 2400 mm de diametre de Veine. Description, Compte- Renda

[Clinical and communication simulation workshop for fellows in gastroenterology: the trainees' perspective].

PubMed

Lang, Alon; Melzer, Ehud; Bar-Meir, Simon; Eliakim, Rami; Ziv, Amitai

2006-11-01

The continuing development in computer-based medical simulators provides an ideal platform for simulator-assisted training programs for medical trainees. Computer-based endoscopic simulators provide a virtual reality environment for training endoscopic procedures. This study illustrates the use of a comprehensive training model combining the use of endoscopic simulators with simulated (actor) patients (SP). To evaluate the effectiveness of a comprehensive simulation workshop from the trainee perspective. Four case studies were developed with emphasis on communication skills. Three workshops with 10 fellows in each were conducted. During each workshop the trainees spent half of the time in SP case studies and the remaining half working with computerized endoscopic simulators with continuous guidance by an expert endoscopist. Questionnaires were completed by the fellows at the end of the workshop. Seventy percent of the fellows felt that the endoscopic simulator was close or very close to reality for gastroscopy and 63% for colonoscopy. Eighty eight percent thought the close guidance was important for the learning process with the simulator. Eighty percent felt that the case studies were an important learning experience for risk management. Further evaluation of multi-modality simulation workshops in gastroenterologist training is needed to identify how best to incorporate this form of instruction into training for gastroenterologists.

Teaching by Simulation with Personal Computers.

ERIC Educational Resources Information Center

Randall, James E.

1978-01-01

Describes the use of a small digital computer to simulate a peripheral nerve demonstration in which the action potential responses to pairs of stimuli are used to illustrate the properties of excitable membranes. (Author/MA)

Toward Endemic Deployment of Educational Simulation Games: A Review of Progress and Future Recommendations

ERIC Educational Resources Information Center

Moizer, Jonathan; Lean, Jonathan

2010-01-01

This article presents a conceptual analysis of simulation game adoption and use across university faculty. The metaphor of epidemiology is used to characterize the diffusion of simulation games for teaching and learning. A simple stock-flow diagram is presented to illustrate this dynamic. Future scenarios for simulation game adoption are…

A Molecular Dynamics-Quantum Mechanics Theoretical Study of DNA-Mediated Charge Transport in Hydrated Ionic Liquids.

PubMed

Meng, Zhenyu; Kubar, Tomas; Mu, Yuguang; Shao, Fangwei

2018-05-08

Charge transport (CT) through biomolecules is of high significance in the research fields of biology, nanotechnology, and molecular devices. Inspired by our previous work that showed the binding of ionic liquid (IL) facilitated charge transport in duplex DNA, in silico simulation is a useful means to understand the microscopic mechanism of the facilitation phenomenon. Here molecular dynamics simulations (MD) of duplex DNA in water and hydrated ionic liquids were employed to explore the helical parameters. Principal component analysis was further applied to capture the subtle conformational changes of helical DNA upon different environmental impacts. Sequentially, CT rates were calculated by a QM/MM simulation of the flickering resonance model based upon MD trajectories. Herein, MD simulation illustrated that the binding of ionic liquids can restrain dynamic conformation and lower the on-site energy of the DNA base. Confined movement among the adjacent base pairs was highly related to the increase of electronic coupling among base pairs, which may lead DNA to a CT facilitated state. Sequentially combining MD and QM/MM analysis, the rational correlations among the binding modes, the conformational changes, and CT rates illustrated the facilitation effects from hydrated IL on DNA CT and supported a conformational-gating mechanism.

FARSITE: Fire Area Simulator-model development and evaluation

Treesearch

Mark A. Finney

1998-01-01

A computer simulation model, FARSITE, includes existing fire behavior models for surface, crown, spotting, point-source fire acceleration, and fuel moisture. The model's components and assumptions are documented. Simulations were run for simple conditions that illustrate the effect of individual fire behavior models on two-dimensional fire growth.

Poverty Simulations: Building Relationships among Extension, Schools, and the Community

ERIC Educational Resources Information Center

Franck, Karen L.; Barnes, Shelly; Harrison, Julie

2016-01-01

Poverty simulations can be effective experiential learning tools for educating community members about the impact of poverty on families. The project described here includes survey results from three simulations with community leaders and teachers. This project illustrated how such workshops can help Extension professionals extend their reach and…

eScience for molecular-scale simulations and the eMinerals project.

PubMed

Salje, E K H; Artacho, E; Austen, K F; Bruin, R P; Calleja, M; Chappell, H F; Chiang, G-T; Dove, M T; Frame, I; Goodwin, A L; Kleese van Dam, K; Marmier, A; Parker, S C; Pruneda, J M; Todorov, I T; Trachenko, K; Tyer, R P; Walker, A M; White, T O H

2009-03-13

We review the work carried out within the eMinerals project to develop eScience solutions that facilitate a new generation of molecular-scale simulation work. Technological developments include integration of compute and data systems, developing of collaborative frameworks and new researcher-friendly tools for grid job submission, XML data representation, information delivery, metadata harvesting and metadata management. A number of diverse science applications will illustrate how these tools are being used for large parameter-sweep studies, an emerging type of study for which the integration of computing, data and collaboration is essential.

Simulation of investment returns of toll projects.

DOT National Transportation Integrated Search

2013-08-01

This research develops a methodological framework to illustrate key stages in applying the simulation of investment returns of toll projects, acting as an example process of helping agencies conduct numerical risk analysis by taking certain uncertain...

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.

Convection links biomass burning to increased tropical ozone - However, models will tend to overpredict O3

NASA Technical Reports Server (NTRS)

Chatfield, Robert B.; Delany, Anthony C.

1990-01-01

Biomass burning throughout the inhabited portions of the tropics generates precursors which lead to significant local atmospheric ozone pollution. Several simulations show how this smog could be only an easily observed, local manifestation of a much broader increase in tropospheric ozone. The basic processes are illustrated with a one-dimensional time-dependent model that is closer to true meteorological motions than commonly used eddy diffusion models. Its application to a representative region of South America gives reasonable simulations of the local pollutants measured there. Three illustrative simulations indicate the importance of dilution, principally due to vertical transport, in increasing the efficiency of ozone production, possibly enough for high ozone to be apparent on a very large, intercontinental scale.

3D highly heterogeneous thermal model of pineal gland in-vitro study for electromagnetic exposure using finite volume method

NASA Astrophysics Data System (ADS)

Cen, Wei; Hoppe, Ralph; Lu, Rongbo; Cai, Zhaoquan; Gu, Ning

2017-08-01

In this paper, the relationship between electromagnetic power absorption and temperature distributions inside highly heterogeneous biological samples was accurately determinated using finite volume method. An in-vitro study on pineal gland that is responsible for physiological activities was for the first time simulated to illustrate effectiveness of the proposed method.

Simulation of existing gas-fuelled conventional steam power plant using Cycle Tempo

NASA Astrophysics Data System (ADS)

Jamel, M. S.; Abd Rahman, A.; Shamsuddin, A. H.

2013-06-01

Simulation of a 200 MW gas-fuelled conventional steam power plant located in Basra, Iraq was carried out. The thermodynamic performance of the considered power plant is estimated by a system simulation. A flow-sheet computer program, "Cycle-Tempo" is used for the study. The plant components and piping systems were considered and described in detail. The simulation results were verified against data gathered from the log sheet obtained from the station during its operation hours and good results were obtained. Operational factors like the stack exhaust temperature and excess air percentage were studied and discussed, as were environmental factors, such as ambient air temperature and water inlet temperature. In addition, detailed exergy losses were illustrated and describe the temperature profiles for the main plant components. The results prompted many suggestions for improvement of the plant performance.

CAI--Socratic Dialogue and Laboratory Simulation in Pathology. Technical Report Number Three.

ERIC Educational Resources Information Center

Hellerstein, Earl E.; And Others

The report describes work accomplished in the development of instructional materials for second-year medical students taking a histopathology laboratory course. The objectives and methods are described and several examples of techniques are illustrated with short segments of dialogue. These segments also illustrate the branching characteristics of…

Recording Images Observed Using Ripple Tanks

ERIC Educational Resources Information Center

Auty, Geoff

2018-01-01

Diagrams and photographs (or computer simulations) should not replace effective observations of the wave properties that can be illustrated using a ripple tank, but they can provide support when discussing and revising what has been observed. This article explains and illustrates a route towards successful photography, which is much easier with…

The use of meta-analysis or research synthesis to combine driving simulation or naturalistic study results on driver distraction.

PubMed

Caird, Jeff K; Johnston, Katherine A; Willness, Chelsea R; Asbridge, Mark

2014-06-01

Three important and inter-related topics are addressed in this paper. First, the importance of meta-analysis and research synthesis methods to combine studies on traffic safety, in general, and on driver distraction, in particular, is briefly reviewed. Second, naturalistic, epidemiologic, and driving simulation studies on driver distraction are used to illustrate convergent and divergent results that have accumulated thus far in this domain of research. In particular, mobile phone conversation, passenger presence, and text messaging naturalistic studies use meta-analyses and research syntheses to illustrate important patterns of results that are in need of more in-depth study. Third, a number of driver distraction study limitations such as poorly defined dependent variables, lack of methodological detail, and omission of statistical information prevent the integration of many studies into meta-analyses. In addition, the overall quality of road safety studies suffers from these same limitations and suggestions for improvement are made to guide researchers and reviewers. Practical Applications. The use of research synthesis and meta-analysis provide comprehensive estimates of the impact of distractions on driving performance, which can be used to guide public policy and future research. Copyright © 2014 National Safety Council and Elsevier Ltd. All rights reserved.

Probabilistic simulation of uncertainties in composite uniaxial strengths

NASA Technical Reports Server (NTRS)

Chamis, C. C.; Stock, T. A.

1990-01-01

Probabilistic composite micromechanics methods are developed that simulate uncertainties in unidirectional fiber composite strengths. These methods are in the form of computational procedures using composite mechanics with Monte Carlo simulation. The variables for which uncertainties are accounted include constituent strengths and their respective scatter. A graphite/epoxy unidirectional composite (ply) is studied to illustrate the procedure and its effectiveness to formally estimate the probable scatter in the composite uniaxial strengths. The results show that ply longitudinal tensile and compressive, transverse compressive and intralaminar shear strengths are not sensitive to single fiber anomalies (breaks, intergacial disbonds, matrix microcracks); however, the ply transverse tensile strength is.

A dynamic model of the human postural control system.

NASA Technical Reports Server (NTRS)

Hill, J. C.

1971-01-01

Description of a digital simulation of the pitch axis dynamics of a stick man. The difficulties encountered in linearizing the equations of motion are discussed; the conclusion reached is that a completely linear simulation is of such restricted validity that only a nonlinear simulation is of any practical use. Typical simulation results obtained from the full nonlinear model are illustrated.

COED Transactions, Vol. X, No. 10, October 1978. Simulation of a Sampled-Data System on a Hybrid Computer.

ERIC Educational Resources Information Center

Mitchell, Eugene E., Ed.

The simulation of a sampled-data system is described that uses a full parallel hybrid computer. The sampled data system simulated illustrates the proportional-integral-derivative (PID) discrete control of a continuous second-order process representing a stirred-tank. The stirred-tank is simulated using continuous analog components, while PID…

MD Simulations of P-Type ATPases in a Lipid Bilayer System.

PubMed

Autzen, Henriette Elisabeth; Musgaard, Maria

2016-01-01

Molecular dynamics (MD) simulation is a computational method which provides insight on protein dynamics with high resolution in both space and time, in contrast to many experimental techniques. MD simulations can be used as a stand-alone method to study P-type ATPases as well as a complementary method aiding experimental studies. In particular, MD simulations have proved valuable in generating and confirming hypotheses relating to the structure and function of P-type ATPases. In the following, we describe a detailed practical procedure on how to set up and run a MD simulation of a P-type ATPase embedded in a lipid bilayer using software free of use for academics. We emphasize general considerations and problems typically encountered when setting up simulations. While full coverage of all possible procedures is beyond the scope of this chapter, we have chosen to illustrate the MD procedure with the Nanoscale Molecular Dynamics (NAMD) and the Visual Molecular Dynamics (VMD) software suites.

Aerodynamic analysis of an isolated vehicle wheel

NASA Astrophysics Data System (ADS)

Leśniewicz, P.; Kulak, M.; Karczewski, M.

2014-08-01

Increasing fuel prices force the manufacturers to look into all aspects of car aerodynamics including wheels, tyres and rims in order to minimize their drag. By diminishing the aerodynamic drag of vehicle the fuel consumption will decrease, while driving safety and comfort will improve. In order to properly illustrate the impact of a rotating wheel aerodynamics on the car body, precise analysis of an isolated wheel should be performed beforehand. In order to represent wheel rotation in contact with the ground, presented CFD simulations included Moving Wall boundary as well as Multiple Reference Frame should be performed. Sliding mesh approach is favoured but too costly at the moment. Global and local flow quantities obtained during simulations were compared to an experiment in order to assess the validity of the numerical model. Results of investigation illustrates dependency between type of simulation and coefficients (drag and lift). MRF approach proved to be a better solution giving result closer to experiment. Investigation of the model with contact area between the wheel and the ground helps to illustrate the impact of rotating wheel aerodynamics on the car body.

Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator.

PubMed

Dequidt, Alain; Devémy, Julien; Pádua, Agílio A H

2016-01-25

LAMMPS is a very customizable molecular dynamics simulation software, which can be used to simulate a large diversity of systems. We introduce a new package for simulation of polarizable systems with LAMMPS using thermalized Drude oscillators. The implemented functionalities are described and are illustrated by examples. The implementation was validated by comparing simulation results with published data and using a reference software. Computational performance is also analyzed.

Microprocessor Simulation: A Training Technique.

ERIC Educational Resources Information Center

Oscarson, David J.

1982-01-01

Describes the design and application of a microprocessor simulation using BASIC for formal training of technicians and managers and as a management tool. Illustrates the utility of the modular approach for the instruction and practice of decision-making techniques. (SK)

Applications of a Pharmacokinetic Simulation Program in Pharmacy Courses.

ERIC Educational Resources Information Center

Ingram, D.; And Others

1979-01-01

Presents a multicompartment model which illustrates aspects of drug absorption, distribution, and elimination in the human body for a course in pharmacokinetics. The course work consists of the interpretation of computer generated simulated data. (Author/CMV)

The aerospace technology laboratory (a perspective, then and now)

NASA Technical Reports Server (NTRS)

Connors, J. F.; Hoffman, R. G.

1982-01-01

The physical changes that have taken place in aerospace facilities since the Wright brothers' accomplishment 78 years ago are highlighted. For illustrative purposes some of the technical facilities and operations of the NASA Lewis Research Center are described. These simulation facilities were designed to support research and technology studies in aerospace propulsion.

Using Item Response Theory and Adaptive Testing in Online Career Assessment

ERIC Educational Resources Information Center

Betz, Nancy E.; Turner, Brandon M.

2011-01-01

The present article describes the potential utility of item response theory (IRT) and adaptive testing for scale evaluation and for web-based career assessment. The article describes the principles of both IRT and adaptive testing and then illustrates these with reference to data analyses and simulation studies of the Career Confidence Inventory…

Black holes

PubMed Central

Brügmann, B.; Ghez, A. M.; Greiner, J.

2001-01-01

Recent progress in black hole research is illustrated by three examples. We discuss the observational challenges that were met to show that a supermassive black hole exists at the center of our galaxy. Stellar-size black holes have been studied in x-ray binaries and microquasars. Finally, numerical simulations have become possible for the merger of black hole binaries. PMID:11553801

Black holes.

PubMed

Brügmann, B; Ghez, A M; Greiner, J

2001-09-11

Recent progress in black hole research is illustrated by three examples. We discuss the observational challenges that were met to show that a supermassive black hole exists at the center of our galaxy. Stellar-size black holes have been studied in x-ray binaries and microquasars. Finally, numerical simulations have become possible for the merger of black hole binaries.

Communicating the role of genetics in management

Treesearch

Mary F. Mahalovich

1997-01-01

Three current issues serve as examples to convey the role of genetics in management. (1) Consequences of silvicultural systems on the genetic resource of tree species are limited to one generation of study and isozyme (qualitative) data. Results of simulated data for diameter (quantitative data) over several generations, illustrate the pitfalls of working towards...

A Review of "Integrity[TM]"

ERIC Educational Resources Information Center

Veldkamp, Bernard P.

2008-01-01

Integrity[TM], an online application for testing both the statistical integrity of the test and the academic integrity of the examinees, was evaluated for this review. Program features and the program output are described. An overview of the statistics in Integrity[TM] is provided, and the application is illustrated with a small simulation study.…

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

NASA Technical Reports Server (NTRS)

Chao, D. F. K.

1983-01-01

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

Innovative techniques for the description of reservoir heterogeneity using tracers. Second technical annual progress report, October 1991--September 1992

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

Pope, G.A.; Sepehrnoori, K.

1992-12-31

This second annual report on innovative uses of tracers for reservoir characterization contains four sections each describing a novel use of oilfield tracers. The first section describes and illustrates the use of a new single-well tracer test to estimate wettability. This test consists of the injection of brine containing tracers followed by oil containing tracers, a shut-in period to allow some of the tracers to react, and then production of the tracers. The inclusion of the oil injection slug with tracers is unique to this test, and this is what makes the test work. We adapted our chemical simulator, UTCHEM,more » to enable us to study this tracer method and made an extensive simulation study to evaluate the effects of wettability based upon characteristic curves for relative permeability and capillary pressure for differing wetting states typical of oil reservoirs. The second section of this report describes a new method for analyzing interwell tracer data based upon a type-curve approach. Theoretical frequency response functions were used to build type curves of ``transfer function`` and ``phase spectrum`` that have dimensionless heterogeneity index as a parameter to characterize a stochastic permeability field. We illustrate this method by analyzing field tracer data. The third section of this report describes a new theory for interpreting interwell tracer data in terms of channeling and dispersive behavior for reservoirs. Once again, a stochastic approach to reservoir description is taken. The fourth section of this report describes our simulation of perfluorocarbon gas tracers. This new tracer technology developed at Brookhaven National Laboratory is being tested at the Elk Hills Naval Petroleum Reserve No. 1 in California. We report preliminary simulations made of these tracers in one of the oil reservoirs under evaluation with these tracers in this field. Our compostional simulator (UTCOMP) was used for this simulation study.« less

Simulating Terrorism: Credible Commitment, Costly Signaling, and Strategic Behavior

ERIC Educational Resources Information Center

Siegel, David A.; Young, Joseph K.

2009-01-01

We present two simulations designed to convey the strategic nature of terrorism and counterterrorism. The first is a simulated hostage crisis, designed primarily to illustrate the concepts of credible commitment and costly signaling. The second explores high-level decision making of both a terrorist group and the state, and is designed to…

Further Thoughts on "How Task Features Impact Evidence from Assessments Embedded in Simulations and Games"

ERIC Educational Resources Information Center

Oliveri, María Elena; Khan, Saad

2014-01-01

María Oliveri, and Saad Khan write that the article: "How Task Features Impact Evidence from Assessments Embedded in Simulations and Games" provided helpful illustrations regarding the implementation of evidence-centered assessment design (Mislevy & Haertel, 2006; Mislevy, Steinberg, & Almond, 1999) with games and simulations.…

Application of Biased Metropolis Algorithms: From protons to proteins

PubMed Central

Bazavov, Alexei; Berg, Bernd A.; Zhou, Huan-Xiang

2015-01-01

We show that sampling with a biased Metropolis scheme is essentially equivalent to using the heatbath algorithm. However, the biased Metropolis method can also be applied when an efficient heatbath algorithm does not exist. This is first illustrated with an example from high energy physics (lattice gauge theory simulations). We then illustrate the Rugged Metropolis method, which is based on a similar biased updating scheme, but aims at very different applications. The goal of such applications is to locate the most likely configurations in a rugged free energy landscape, which is most relevant for simulations of biomolecules. PMID:26612967

Towards improving software security by using simulation to inform requirements and conceptual design

DOE PAGES

Nutaro, James J.; Allgood, Glenn O.; Kuruganti, Teja

2015-06-17

We illustrate the use of modeling and simulation early in the system life-cycle to improve security and reduce costs. The models that we develop for this illustration are inspired by problems in reliability analysis and supervisory control, for which similar models are used to quantify failure probabilities and rates. In the context of security, we propose that models of this general type can be used to understand trades between risk and cost while writing system requirements and during conceptual design, and thereby significantly reduce the need for expensive security corrections after a system enters operation

Juggling land retirement objectives on an agricultural landscape: coordination, conflict, or compromise?

PubMed

Marshall, Elizabeth P; Homans, Frances R

2006-07-01

Strategic land retirement in agricultural settings has been used as one way to achieve a combination of social objectives, which include ameliorating water quality problems and enhancing existing systems of wildlife habitat. This study uses a simulation model operating on a virtual landscape, along with the compromise programming method, to illustrate the implications of alternative weighting schemes for the long-term performance of the landscape toward various objectives. The analysis suggests that particular spatial patterns may be related to how various objectives are weighted. The analysis also illustrates the inevitable trade-offs among objectives, although it may be tempting to present retirement strategies as "win-win."

Detecting multiple outliers in linear functional relationship model for circular variables using clustering technique

NASA Astrophysics Data System (ADS)

Mokhtar, Nurkhairany Amyra; Zubairi, Yong Zulina; Hussin, Abdul Ghapor

2017-05-01

Outlier detection has been used extensively in data analysis to detect anomalous observation in data and has important application in fraud detection and robust analysis. In this paper, we propose a method in detecting multiple outliers for circular variables in linear functional relationship model. Using the residual values of the Caires and Wyatt model, we applied the hierarchical clustering procedure. With the use of tree diagram, we illustrate the graphical approach of the detection of outlier. A simulation study is done to verify the accuracy of the proposed method. Also, an illustration to a real data set is given to show its practical applicability.

Techniques for plotting shadow patterns

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

Bainbridge, D.A.

1982-02-01

Basic approaches for plotting shadow patterns (summer or winter) are discussed, illustrated, and compared. The solar simulator technique uses floodlights or a moveable table to mimic the sun's path over a model of the building being studied. The drawback is that, for large developments, very small models would have to be built. Graphic solutions (2 types) are described in which: (1) sun angles are used to calculate shadow patterns using trigonometry and (2) drawings are made and shadows are calculated. Examples are given for a house on level ground and on sloping ground. Calculations of shade density are also illustrated.more » 8 references. (MJJ)« less

Task-based lens design with application to digital mammography

NASA Astrophysics Data System (ADS)

Chen, Liying; Barrett, Harrison H.

2005-01-01

Recent advances in model observers that predict human perceptual performance now make it possible to optimize medical imaging systems for human task performance. We illustrate the procedure by considering the design of a lens for use in an optically coupled digital mammography system. The channelized Hotelling observer is used to model human performance, and the channels chosen are differences of Gaussians. The task performed by the model observer is detection of a lesion at a random but known location in a clustered lumpy background mimicking breast tissue. The entire system is simulated with a Monte Carlo application according to physics principles, and the main system component under study is the imaging lens that couples a fluorescent screen to a CCD detector. The signal-to-noise ratio (SNR) of the channelized Hotelling observer is used to quantify this detectability of the simulated lesion (signal) on the simulated mammographic background. Plots of channelized Hotelling SNR versus signal location for various lens apertures, various working distances, and various focusing places are presented. These plots thus illustrate the trade-off between coupling efficiency and blur in a task-based manner. In this way, the channelized Hotelling SNR is used as a merit function for lens design.

Task-based lens design, with application to digital mammography

NASA Astrophysics Data System (ADS)

Chen, Liying

Recent advances in model observers that predict human perceptual performance now make it possible to optimize medical imaging systems for human task performance. We illustrate the procedure by considering the design of a lens for use in an optically coupled digital mammography system. The channelized Hotelling observer is used to model human performance, and the channels chosen are differences of Gaussians (DOGs). The task performed by the model observer is detection of a lesion at a random but known location in a clustered lumpy background mimicking breast tissue. The entire system is simulated with a Monte Carlo application according to the physics principles, and the main system component under study is the imaging lens that couples a fluorescent screen to a CCD detector. The SNR of the channelized Hotelling observer is used to quantify the detectability of the simulated lesion (signal) upon the simulated mammographic background. In this work, plots of channelized Hotelling SNR vs. signal location for various lens apertures, various working distances, and various focusing places are shown. These plots thus illustrate the trade-off between coupling efficiency and blur in a task-based manner. In this way, the channelized Hotelling SNR is used as a merit function for lens design.

The interpoint distance distribution as a descriptor of point patterns, with an application to spatial disease clustering.

PubMed

Bonetti, Marco; Pagano, Marcello

2005-03-15

The topic of this paper is the distribution of the distance between two points distributed independently in space. We illustrate the use of this interpoint distance distribution to describe the characteristics of a set of points within some fixed region. The properties of its sample version, and thus the inference about this function, are discussed both in the discrete and in the continuous setting. We illustrate its use in the detection of spatial clustering by application to a well-known leukaemia data set, and report on the results of a simulation experiment designed to study the power characteristics of the methods within that study region and in an artificial homogenous setting. Copyright (c) 2004 John Wiley & Sons, Ltd.

Resource Tracking Model Updates and Trade Studies

NASA Technical Reports Server (NTRS)

Chambliss, Joe; Stambaugh, Imelda; Moore, Michael

2016-01-01

The Resource Tracking Model has been updated to capture system manager and project manager inputs. Both the Trick/General Use Nodal Network Solver Resource Tracking Model (RTM) simulator and the RTM mass balance spreadsheet have been revised to address inputs from system managers and to refine the way mass balance is illustrated. The revisions to the RTM included the addition of a Plasma Pyrolysis Assembly (PPA) to recover hydrogen from Sabatier Reactor methane, which was vented in the prior version of the RTM. The effect of the PPA on the overall balance of resources in an exploration vehicle is illustrated in the increased recycle of vehicle oxygen. Case studies have been run to show the relative effect of performance changes on vehicle resources.

Numerical Stimulation of Multicomponent Chromatography Using Spreadsheets.

ERIC Educational Resources Information Center

Frey, Douglas D.

1990-01-01

Illustrated is the use of spreadsheet programs for implementing finite difference numerical simulations of chromatography as an instructional tool in a separations course. Discussed are differential equations, discretization and integration, spreadsheet development, computer requirements, and typical simulation results. (CW)

NASA's supercomputing experience

NASA Technical Reports Server (NTRS)

Bailey, F. Ron

1990-01-01

A brief overview of NASA's recent experience in supercomputing is presented from two perspectives: early systems development and advanced supercomputing applications. NASA's role in supercomputing systems development is illustrated by discussion of activities carried out by the Numerical Aerodynamical Simulation Program. Current capabilities in advanced technology applications are illustrated with examples in turbulence physics, aerodynamics, aerothermodynamics, chemistry, and structural mechanics. Capabilities in science applications are illustrated by examples in astrophysics and atmospheric modeling. Future directions and NASA's new High Performance Computing Program are briefly discussed.

Eutrophic overgrowth in the self-organization of tropical wetlands illustrated with a study of swine wastes in rainforest plots

Treesearch

Roberta Kent; H.T. Odum; F.N. Scatena

2000-01-01

The relationship of plant species diversity to cultural eutrophy in tropical wetlands was studied in Puerto Rico with experimental plots, a survey of 25 eutrophic sites developing from the wastes of society, and a simulation mini-model. The model is a quantitative hypothesis which contains the mechanisms to maximize empower (gross production) by reinforcing low...

Understanding price discovery in interconnected markets: Generalized Langevin process approach and simulation

NASA Astrophysics Data System (ADS)

Schenck, Natalya A.; Horvath, Philip A.; Sinha, Amit K.

2018-02-01

While the literature on price discovery process and information flow between dominant and satellite market is exhaustive, most studies have applied an approach that can be traced back to Hasbrouck (1995) or Gonzalo and Granger (1995). In this paper, however, we propose a Generalized Langevin process with asymmetric double-well potential function, with co-integrated time series and interconnected diffusion processes to model the information flow and price discovery process in two, a dominant and a satellite, interconnected markets. A simulated illustration of the model is also provided.

Advances in the computation of transonic separated flows over finite wings

NASA Technical Reports Server (NTRS)

Kaynak, Unver; Flores, Jolen

1989-01-01

Problems encountered in numerical simulations of transonic wind-tunnel experiments with low-aspect-ratio wings are surveyed and illustrated. The focus is on the zonal Euler/Navier-Stokes program developed by Holst et al. (1985) and its application to shock-induced separation. The physical basis and numerical implementation of the method are reviewed, and results are presented from studies of the effects of artificial dissipation, boundary conditions, grid refinement, the turbulence model, and geometry representation on the simulation accuracy. Extensive graphs and diagrams and typical flow visualizations are provided.

Analysis, synchronisation and circuit design of a new highly nonlinear chaotic system

NASA Astrophysics Data System (ADS)

Mobayen, Saleh; Kingni, Sifeu Takougang; Pham, Viet-Thanh; Nazarimehr, Fahimeh; Jafari, Sajad

2018-02-01

This paper investigates a three-dimensional autonomous chaotic flow without linear terms. Dynamical behaviour of the proposed system is investigated through eigenvalue structures, phase portraits, bifurcation diagram, Lyapunov exponents and basin of attraction. For a suitable choice of the parameters, the proposed system can exhibit anti-monotonicity, periodic oscillations and double-scroll chaotic attractor. Basin of attraction of the proposed system shows that the chaotic attractor is self-excited. Furthermore, feasibility of double-scroll chaotic attractor in the real word is investigated by using the OrCAD-PSpice software via an electronic implementation of the proposed system. A good qualitative agreement is illustrated between the numerical simulations and the OrCAD-PSpice results. Finally, a finite-time control method based on dynamic sliding surface for the synchronisation of master and slave chaotic systems in the presence of external disturbances is performed. Using the suggested control technique, the superior master-slave synchronisation is attained. Illustrative simulation results on the studied chaotic system are presented to indicate the effectiveness of the suggested scheme.

Bias correction of bounded location errors in presence-only data

USGS Publications Warehouse

Hefley, Trevor J.; Brost, Brian M.; Hooten, Mevin B.

2017-01-01

Location error occurs when the true location is different than the reported location. Because habitat characteristics at the true location may be different than those at the reported location, ignoring location error may lead to unreliable inference concerning species–habitat relationships.We explain how a transformation known in the spatial statistics literature as a change of support (COS) can be used to correct for location errors when the true locations are points with unknown coordinates contained within arbitrary shaped polygons.We illustrate the flexibility of the COS by modelling the resource selection of Whooping Cranes (Grus americana) using citizen contributed records with locations that were reported with error. We also illustrate the COS with a simulation experiment.In our analysis of Whooping Crane resource selection, we found that location error can result in up to a five-fold change in coefficient estimates. Our simulation study shows that location error can result in coefficient estimates that have the wrong sign, but a COS can efficiently correct for the bias.

Lipopolysaccharide Membrane Building and Simulation

PubMed Central

Jo, Sunhwan; Wu, Emilia L.; Stuhlsatz, Danielle; Klauda, Jeffery B.; Widmalm, Göran; Im, Wonpil

2015-01-01

Summary While membrane simulations are widely employed to study the structure and dynamics of various lipid bilayers and membrane proteins in the bilayers, simulations of lipopolysaccharides (LPS) in membrane environments have been limited due to its structural complexity, difficulties in building LPS-membrane systems, and lack of appropriate molecular force field. In this work, as a first step to extend CHARMM-GUI Membrane Builder to incorporate LPS molecules and to explore their structures and dynamics in membrane environments using molecular dynamics simulations, we describe step-by-step procedures to build LPS bilayer systems using CHARMM and the recently developed CHARMM carbohydrate and lipid force fields. Such procedures are illustrated by building various bilayers of Escherichia coli O6 LPS and their preliminary simulation results are given in terms of per-LPS area and density distributions of various components along the membrane normal. PMID:25753722

Digital test assembly of truck parts with the IMMA-tool--an illustrative case.

PubMed

Hanson, L; Högberg, D; Söderholm, M

2012-01-01

Several digital human modelling (DHM) tools have been developed for simulation and visualisation of human postures and motions. In 2010 the DHM tool IMMA (Intelligently Moving Manikins) was introduced as a DHM tool that uses advanced path planning techniques to generate collision free and biomechanically acceptable motions for digital human models (as well as parts) in complex assembly situations. The aim of the paper is to illustrate how the IPS/IMMA tool is used at Scania CV AB in a digital test assembly process, and to compare the tool with other DHM tools on the market. The illustrated case of using the IMMA tool, here combined with the path planner tool IPS, indicates that the tool is promising. The major strengths of the tool are its user friendly interface, the motion generation algorithms, the batch simulation of manikins and the ergonomics assessment methods that consider time.

Drag and drop simulation: from pictures to full three-dimensional simulations

NASA Astrophysics Data System (ADS)

Bergmann, Michel; Iollo, Angelo

2014-11-01

We present a suite of methods to achieve ``drag and drop'' simulation, i.e., to fully automatize the process to perform thee-dimensional flow simulations around a bodies defined by actual images of moving objects. The overall approach requires a skeleton graph generation to get level set function from pictures, optimal transportation to get body velocity on the surface and then flow simulation thanks to a cartesian method based on penalization. We illustrate this paradigm simulating the swimming of a mackerel fish.

What Juno will see at Jupiter South Pole Simulation

NASA Image and Video Library

2011-08-03

This simulated view of the south pole of Jupiter illustrates the unique perspective of NASA Juno mission. Juno polar orbit will allow its camera, called JunoCam, to image Jupiter clouds from a vantage point never accessed by other spacecraft.

Prototyping distributed simulation networks

NASA Technical Reports Server (NTRS)

Doubleday, Dennis L.

1990-01-01

Durra is a declarative language designed to support application-level programming. The use of Durra is illustrated to describe a simple distributed application: a simulation of a collection of networked vehicle simulators. It is shown how the language is used to describe the application, its components and structure, and how the runtime executive provides for the execution of the application.

The Living Heart Project: A robust and integrative simulator for human heart function.

PubMed

Baillargeon, Brian; Rebelo, Nuno; Fox, David D; Taylor, Robert L; Kuhl, Ellen

2014-11-01

The heart is not only our most vital, but also our most complex organ: Precisely controlled by the interplay of electrical and mechanical fields, it consists of four chambers and four valves, which act in concert to regulate its filling, ejection, and overall pump function. While numerous computational models exist to study either the electrical or the mechanical response of its individual chambers, the integrative electro-mechanical response of the whole heart remains poorly understood. Here we present a proof-of-concept simulator for a four-chamber human heart model created from computer topography and magnetic resonance images. We illustrate the governing equations of excitation-contraction coupling and discretize them using a single, unified finite element environment. To illustrate the basic features of our model, we visualize the electrical potential and the mechanical deformation across the human heart throughout its cardiac cycle. To compare our simulation against common metrics of cardiac function, we extract the pressure-volume relationship and show that it agrees well with clinical observations. Our prototype model allows us to explore and understand the key features, physics, and technologies to create an integrative, predictive model of the living human heart. Ultimately, our simulator will open opportunities to probe landscapes of clinical parameters, and guide device design and treatment planning in cardiac diseases such as stenosis, regurgitation, or prolapse of the aortic, pulmonary, tricuspid, or mitral valve.

An Extension of the Partial Credit Model with an Application to the Measurement of Change.

ERIC Educational Resources Information Center

Fischer, Gerhard H.; Ponocny, Ivo

1994-01-01

An extension to the partial credit model, the linear partial credit model, is considered under the assumption of a certain linear decomposition of the item x category parameters into basic parameters. A conditional maximum likelihood algorithm for estimating basic parameters is presented and illustrated with simulation and an empirical study. (SLD)

Recent Contributions of Information Sciences Research at RAND to Modeling- and Simulation-Based Policy Analysis.

ERIC Educational Resources Information Center

Donohue, G. L.; And Others

This report presents examples of Rand's current research in the information sciences and illustrates the application of information science tools to specific policy studies. The projects discussed depict Rand's success with using corporate seed money to bridge the gap between the research and development of new information science tools and…

Implementing the DC Mode in Cosmological Simulations with Supercomoving Variables

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

Gnedin, Nickolay Y; Kravtsov, Andrey V; Rudd, Douglas H

2011-06-02

As emphasized by previous studies, proper treatment of the density fluctuation on the fundamental scale of a cosmological simulation volume - the 'DC mode' - is critical for accurate modeling of spatial correlations on scales ~> 10% of simulation box size. We provide further illustration of the effects of the DC mode on the abundance of halos in small boxes and show that it is straightforward to incorporate this mode in cosmological codes that use the 'supercomoving' variables. The equations governing evolution of dark matter and baryons recast with these variables are particularly simple and include the expansion factor, andmore » hence the effect of the DC mode, explicitly only in the Poisson equation.« less

Molecular Dynamics Studies of Thermal Induced Chemistry in Tatb

NASA Astrophysics Data System (ADS)

Quenneville, J.; Germann, T. C.; Thompson, A. P.; Kober, E. M.

2007-12-01

A reactive force field (ReaxFF) is used with molecular dynamics to probe the chemistry induced by intense heating (`accelerated cook-off') of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). Large-system simulations are desired for TATB because of the high degree of carbon clustering expected in this material. Using small, 32-molecule simulations, we calculate the reaction rate as a function of temperature and compare the Arrhenius-predicted activation energy with experiment. Decomposition product evolution (mainly N2, H2O, CO2 and graphitic carbon clusters) is followed using a 576-molecule larger simulation, which also illustrates the effect of system size on both carbon clustering and reaction rate.

Time-accurate simulations of a shear layer forced at a single frequency

NASA Technical Reports Server (NTRS)

Claus, R. W.; Huang, P. G.; Macinnes, J. M.

1988-01-01

Calculations are presented for the forced shear layer studied experimentally by Oster and Wygnanski, and Weisbrot. Two different computational approaches are examined: Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES). The DNS approach solves the full three dimensional Navier-Stokes equations for a temporally evolving mixing layer, while the LES approach solves the two dimensional Navier-Stokes equations with a subgrid scale turbulence model. While the comparison between these calculations and experimental data was hampered by a lack of information on the inflow boundary conditions, the calculations are shown to qualitatively agree with several aspects of the experiment. The sensitivity of these calculations to factors such as mesh refinement and Reynolds number is illustrated.

A simulation exercise of a cavity-type solar receiver using the HEAP program

NASA Technical Reports Server (NTRS)

Lansing, F. L.

1979-01-01

A computer program has been developed at JPL to support the advanced studies of solar receivers in high concentration solar-thermal-electric power plants. This work presents briefly the program methodology, input data required, expected output results, capabilities and limitations. The program was used to simulate an existing 5 kwt experimental receiver of a cavity type. The receiver is located at the focus of a paraboloid dish and is connected to a Stirling engine. Both steady state and transient performance simulation were given. Details about the receiver modeling were also presented to illustrate the procedure followed. Simulated temperature patterns were found in good agreement with test data obtained by high temperature thermocouples. The simulated receiver performance was extrapolated to various operating conditions not attained experimentally. The results of the parameterization study were fitted to a general performance expression to determine the receiver characteristic constraints. The latter were used to optimize the receiver operating conditions to obtain the highest overall conversion efficiency.

Update 0.2 to "pysimm: A python package for simulation of molecular systems"

NASA Astrophysics Data System (ADS)

Demidov, Alexander G.; Fortunato, Michael E.; Colina, Coray M.

2018-01-01

An update to the pysimm Python molecular simulation API is presented. A major part of the update is the implementation of a new interface with CASSANDRA - a modern, versatile Monte Carlo molecular simulation program. Several significant improvements in the LAMMPS communication module that allow better and more versatile simulation setup are reported as well. An example of an application implementing iterative CASSANDRA-LAMMPS interaction is illustrated.

Interactive visualization of numerical simulation results: A tool for mission planning and data analysis

NASA Technical Reports Server (NTRS)

Berchem, J.; Raeder, J.; Walker, R. J.; Ashour-Abdalla, M.

1995-01-01

We report on the development of an interactive system for visualizing and analyzing numerical simulation results. This system is based on visualization modules which use the Application Visualization System (AVS) and the NCAR graphics packages. Examples from recent simulations are presented to illustrate how these modules can be used for displaying and manipulating simulation results to facilitate their comparison with phenomenological model results and observations.

SimZones: An Organizational Innovation for Simulation Programs and Centers.

PubMed

Roussin, Christopher J; Weinstock, Peter

2017-08-01

The complexity and volume of simulation-based learning programs have increased dramatically over the last decade, presenting several major challenges for those who lead and manage simulation programs and centers. The authors present five major issues affecting the organization of simulation programs: (1) supporting both single- and double-loop learning experiences; (2) managing the training of simulation teaching faculty; (3) optimizing the participant mix, including individuals, professional groups, teams, and other role-players, to ensure learning; (4) balancing in situ, node-based, and center-based simulation delivery; and (5) organizing simulation research and measuring value. They then introduce the SimZones innovation, a system of organization for simulation-based learning, and explain how it can alleviate the problems associated with these five issues.Simulations are divided into four zones (Zones 0-3). Zone 0 simulations include autofeedback exercises typically practiced by solitary learners, often using virtual simulation technology. Zone 1 simulations include hands-on instruction of foundational clinical skills. Zone 2 simulations include acute situational instruction, such as clinical mock codes. Zone 3 simulations involve authentic, native teams of participants and facilitate team and system development.The authors also discuss the translation of debriefing methods from Zone 3 simulations to real patient care settings (Zone 4), and they illustrate how the SimZones approach can enable the development of longitudinal learning systems in both teaching and nonteaching hospitals. The SimZones approach was initially developed in the context of the Boston Children's Hospital Simulator Program, which the authors use to illustrate this innovation in action.

Materials by numbers: Computations as tools of discovery

PubMed Central

Landman, Uzi

2005-01-01

Current issues pertaining to theoretical simulations of materials, with a focus on systems of nanometer-scale dimensions, are discussed. The use of atomistic simulations as high-resolution numerical experiments, enabling and guiding formulation and testing of analytic theoretical descriptions, is demonstrated through studies of the generation and breakup of nanojets, which have led to the derivation of a stochastic hydrodynamic description. Subsequently, I illustrate the use of computations and simulations as tools of discovery, with examples that include the self-organized formation of nanowires, the surprising nanocatalytic activity of small aggregates of gold that, in the bulk form, is notorious for being chemically inert, and the emergence of rotating electron molecules in two-dimensional quantum dots. I conclude with a brief discussion of some key challenges in nanomaterials simulations. PMID:15870210

THYROSIM App for Education and Research Predicts Potential Health Risks of Over-the-Counter Thyroid Supplements.

PubMed

Han, Simon X; Eisenberg, Marisa; Larsen, P Reed; DiStefano, Joseph

2016-04-01

Computer simulation tools for education and research are making increasingly effective use of the Internet and personal devices. To facilitate these activities in endocrinology and metabolism, a mechanistically based simulator of human thyroid hormone and thyrotropin (TSH) regulation dynamics was developed and further validated, and it was implemented as a facile and freely accessible web-based and personal device application: the THYROSIM app. This study elucidates and demonstrates its utility in a research context by exploring key physiological effects of over-the-counter thyroid supplements. THYROSIM has a simple and intuitive user interface for teaching and conducting simulated "what-if" experiments. User-selectable "experimental" test-input dosages (oral, intravenous pulses, intravenous infusions) are represented by animated graphical icons integrated with a cartoon of the hypothalamic-pituitary-thyroid axis. Simulations of familiar triiodothyronine (T3), thyroxine (T4), and TSH temporal dynamic responses to these exogenous stimuli are reported graphically, along with normal ranges on the same single interface page; and multiple sets of simulated experimental results are superimposable to facilitate comparative analyses. This study shows that THYROSIM accurately reproduces a wide range of published clinical study data reporting hormonal kinetic responses to large and small oral hormone challenges. Simulation examples of partial thyroidectomies and malabsorption illustrate typical usage by optionally changing thyroid gland secretion and/or gut absorption rates--expressed as percentages of normal--as well as additions of oral hormone dosing, all directly on the interface, and visualizing the kinetic responses to these challenges. Classroom and patient education usage--with public health implications--is illustrated by predictive simulated responses to nonprescription thyroid health supplements analyzed previously for T3 and T4 content. Notably, it was found that T3 in supplements has potentially more serious pathophysiological effects than does T4--concomitant with low-normal TSH levels. Some preparations contain enough T3 to generate thyrotoxic conditions, with supernormal serum T3-spiking and subnormal serum T4 and TSH levels and, in some cases, with normal or low-normal range TSH levels due to thyroidal axis negative feedback. These results suggest that appropriate regulation of these products is needed.

Simulation Insights Using "R"

ERIC Educational Resources Information Center

Kostadinov, Boyan

2013-01-01

This article attempts to introduce the reader to computational thinking and solving problems involving randomness. The main technique being employed is the Monte Carlo method, using the freely available software "R for Statistical Computing." The author illustrates the computer simulation approach by focusing on several problems of…

How runoff begins (and ends): characterizing hydrologic response at the catchment scale

USGS Publications Warehouse

Mirus, Benjamin B.; Loague, Keith

2013-01-01

Improved understanding of the complex dynamics associated with spatially and temporally variable runoff response is needed to better understand the hydrology component of interdisciplinary problems. The objective of this study was to quantitatively characterize the environmental controls on runoff generation for the range of different streamflow-generation mechanisms illustrated in the classic Dunne diagram. The comprehensive physics-based model of coupled surface-subsurface flow, InHM, is employed in a heuristic mode. InHM has been employed previously to successfully simulate the observed hydrologic response at four diverse, well-characterized catchments, which provides the foundation for this study. The C3 and CB catchments are located within steep, forested terrain; the TW and R5 catchments are located in gently sloping rangeland. The InHM boundary-value problems for these four catchments provide the corner-stones for alternative simulation scenarios designed to address the question of how runoff begins (and ends). Simulated rainfall-runoff events are used to systematically explore the impact of soil-hydraulic properties and rainfall characteristics. This approach facilitates quantitative analysis of both integrated and distributed hydrologic responses at high-spatial and temporal resolution over the wide range of environmental conditions represented by the four catchments. The results from 140 unique simulation scenarios illustrate how rainfall intensity/depth, subsurface permeability contrasts, characteristic curve shapes, and topography provide important controls on the hydrologic-response dynamics. The processes by which runoff begins (and ends) are shown, in large part, to be defined by the relative rates of rainfall, infiltration, lateral flow convergence, and storage dynamics within the variably saturated soil layers.

Demonstration of UV LED versatility when paired with molded UV transmitting glass optics to produce unique irradiance patterns

NASA Astrophysics Data System (ADS)

Jasenak, Brian

2017-02-01

Ultraviolet light-emitting diode (UV LED) adoption is accelerating; they are being used in new applications such as UV curing, germicidal irradiation, nondestructive testing, and forensic analysis. In many of these applications, it is critically important to produce a uniform light distribution and consistent surface irradiance. Flat panes of fused quartz, silica, or glass are commonly used to cover and protect UV LED arrays. However, they don't offer the advantages of an optical lens design. An investigation was conducted to determine the effect of a secondary glass optic on the uniformity of the light distribution and irradiance. Glass optics capable of transmitting UV-A, UV-B, and UV-C wavelengths can improve light distribution, uniformity, and intensity. In this work, two simulation studies were created to illustrate distinct irradiance patterns desirable for potential real world applications. The first study investigates the use of a multi-UV LED array and optic to create a uniform irradiance pattern on the flat two dimensional (2D) target surface. The uniformity was improved by designing both the LED array and molded optic to produce a homogenous pattern. The second study investigated the use of an LED light source and molded optic to improve the light uniformity on the inside of a canister. The case study illustrates the requirements for careful selection of LED based on light distribution and subsequent design of optics. The optic utilizes total internal reflection to create optimized light distribution. The combination of the LED and molded optic showed significant improvement in uniformity on the inner surface of the canister. The simulations illustrate how the application of optics can significantly improve UV light distribution which can be critical in applications such as UV curing and sterilization.

FITPOP, a heuristic simulation model of population dynamics and genetics with special reference to fisheries

USGS Publications Warehouse

McKenna, James E.

2000-01-01

Although, perceiving genetic differences and their effects on fish population dynamics is difficult, simulation models offer a means to explore and illustrate these effects. I partitioned the intrinsic rate of increase parameter of a simple logistic-competition model into three components, allowing specification of effects of relative differences in fitness and mortality, as well as finite rate of increase. This model was placed into an interactive, stochastic environment to allow easy manipulation of model parameters (FITPOP). Simulation results illustrated the effects of subtle differences in genetic and population parameters on total population size, overall fitness, and sensitivity of the system to variability. Several consequences of mixing genetically distinct populations were illustrated. For example, behaviors such as depression of population size after initial introgression and extirpation of native stocks due to continuous stocking of genetically inferior fish were reproduced. It also was shown that carrying capacity relative to the amount of stocking had an important influence on population dynamics. Uncertainty associated with parameter estimates reduced confidence in model projections. The FITPOP model provided a simple tool to explore population dynamics, which may assist in formulating management strategies and identifying research needs.

Flocking and self-defense: experiments and simulations of avian mobbing

NASA Astrophysics Data System (ADS)

Kane, Suzanne Amador

2011-03-01

We have performed motion capture studies in the field of avian mobbing, in which flocks of prey birds harass predatory birds. Our empirical studies cover both field observations of mobbing occurring in mid-air, where both predator and prey are in flight, and an experimental system using actual prey birds and simulated predator ``perch and wait'' strategies. To model our results and establish the effectiveness of mobbing flight paths at minimizing risk of capture while optimizing predator harassment, we have performed computer simulations using the actual measured trajectories of mobbing prey birds combined with model predator trajectories. To accurately simulate predator motion, we also measured raptor acceleration and flight dynamics, well as prey-pursuit strategies. These experiments and theoretical studies were all performed with undergraduate research assistants in a liberal arts college setting. This work illustrates how biological physics provides undergraduate research projects well-suited to the abilities of physics majors with interdisciplinary science interests and diverse backgrounds.

Computer simulations of transport through membranes: passive diffusion, pores, channels and transporters.

PubMed

Tieleman, D Peter

2006-10-01

A key function of biological membranes is to provide mechanisms for the controlled transport of ions, nutrients, metabolites, peptides and proteins between a cell and its environment. We are using computer simulations to study several processes involved in transport. In model membranes, the distribution of small molecules can be accurately calculated; we are making progress towards understanding the factors that determine the partitioning behaviour in the inhomogeneous lipid environment, with implications for drug distribution, membrane protein folding and the energetics of voltage gating. Lipid bilayers can be simulated at a scale that is sufficiently large to study significant defects, such as those caused by electroporation. Computer simulations of complex membrane proteins, such as potassium channels and ATP-binding cassette (ABC) transporters, can give detailed information about the atomistic dynamics that form the basis of ion transport, selectivity, conformational change and the molecular mechanism of ATP-driven transport. This is illustrated in the present review with recent simulation studies of the voltage-gated potassium channel KvAP and the ABC transporter BtuCD.

Molecular dynamics simulations of acoustic absorption by a carbon nanotube

NASA Astrophysics Data System (ADS)

Ayub, M.; Zander, A. C.; Huang, D. M.; Howard, C. Q.; Cazzolato, B. S.

2018-06-01

Acoustic absorption by a carbon nanotube (CNT) was studied using molecular dynamics (MD) simulations in a molecular domain containing a monatomic gas driven by a time-varying periodic force to simulate acoustic wave propagation. Attenuation of the sound wave and the characteristics of the sound field due to interactions with the CNT were studied by evaluating the behavior of various acoustic parameters and comparing the behavior with that of the domain without the CNT present. A standing wave model was developed for the CNT-containing system to predict sound attenuation by the CNT and the results were verified against estimates of attenuation using the thermodynamic concept of exergy. This study demonstrates acoustic absorption effects of a CNT in a thermostatted MD simulation, quantifies the acoustic losses induced by the CNT, and illustrates their effects on the CNT. Overall, a platform was developed for MD simulations that can model acoustic damping induced by nanostructured materials such as CNTs, which can be used for further understanding of nanoscale acoustic loss mechanisms associated with molecular interactions between acoustic waves and nanomaterials.

Simulation and curriculum design: a global survey in dental education.

PubMed

Perry, S; Burrow, M F; Leung, W K; Bridges, S M

2017-12-01

Curriculum reforms are being driven by globalization and international standardization. Although new information technologies such as dental haptic virtual reality (VR) simulation systems have provided potential new possibilities for clinical learning in dental curricula, infusion into curricula requires careful planning. This study aimed to identify current patterns in the role and integration of simulation in dental degree curricula internationally. An original internet survey was distributed by invitation to clinical curriculum leaders in dental schools in Asia, Europe, North America, and Oceania (Australia and New Zealand). The results (N = 62) showed Asia, Europe and Oceania tended towards integrated curriculum designs with North America having a higher proportion of traditional curricula. North America had limited implementation of haptic VR simulation technology but reported the highest number of scheduled simulation hours. Australia and New Zealand were the most likely regions to incorporate haptic VR simulation technology. This survey indicated considerable variation in curriculum structure with regionally-specific preferences being evident in terms of curriculum structure, teaching philosophies and motivation for incorporation of VR haptic simulation into curricula. This study illustrates the need for an improved evidence base on dental simulations to inform curriculum designs and psychomotor skill learning in dentistry. © 2017 Australian Dental Association.

Performance evaluation using SYSTID time domain simulation. [computer-aid design and analysis for communication systems

NASA Technical Reports Server (NTRS)

Tranter, W. H.; Ziemer, R. E.; Fashano, M. J.

1975-01-01

This paper reviews the SYSTID technique for performance evaluation of communication systems using time-domain computer simulation. An example program illustrates the language. The inclusion of both Gaussian and impulse noise models make accurate simulation possible in a wide variety of environments. A very flexible postprocessor makes possible accurate and efficient performance evaluation.

Use of Computer Simulation in Designing and Evaluating a Proposed Rough Mill for Furniture Interior Parts

Treesearch

Philip A. Araman

1977-01-01

The design of a rough mill for the production of interior furniture parts is used to illustrate a simulation technique for analyzing and evaluating established and proposed sequential production systems. Distributions representing the real-world random characteristics of lumber, equipment feed speeds and delay times are programmed into the simulation. An example is...

Delay Tolerant Networking - Bundle Protocol Simulation

NASA Technical Reports Server (NTRS)

SeGui, John; Jenning, Esther

2006-01-01

In this paper, we report on the addition of MACHETE models needed to support DTN, namely: the Bundle Protocol (BP) model. To illustrate the useof MACHETE with the additional DTN model, we provide an example simulation to benchmark its performance. We demonstrate the use of the DTN protocol and discuss statistics gathered concerning the total time needed to simulate numerous bundle transmissions.

A users evaluation of SAMIS. [Solar Array Manufacturing Industry Simulation

NASA Technical Reports Server (NTRS)

Grenon, L. A.; Coleman, M. G.

1981-01-01

SAMIS, the Solar Array Manufacturing Industry Simulation computer program was developed by Jet Propulsion Laboratories (JPL) to provide a method whereby manufacturers or potential manufacturers of photovoltaics could simulate a solar industry using their own particular approach. This paper analyzes the usefulness of SAMIS to a growing photovoltaic industry and clearly illustrates its limitations as viewed by an industrial user.

Mathematical modeling of high-pH chemical flooding

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

Bhuyan, D.; Lake, L.W.; Pope, G.A.

1990-05-01

This paper describes a generalized compositional reservoir simulator for high-pH chemical flooding processes. This simulator combines the reaction chemistry associated with these processes with the extensive physical- and flow-property modeling schemes of an existing micellar/polymer flood simulator, UTCHEM. Application of the model is illustrated for cases from a simple alkaline preflush to surfactant-enhanced alkaline-polymer flooding.

Multiple Exposure of Rendezvous Docking Simulator - Gemini Program

NASA Image and Video Library

1964-02-07

Multiple exposure of Rendezvous Docking Simulator. Francis B. Smith, described the simulator as follows: The rendezvous and docking operation of the Gemini spacecraft with the Agena and of the Apollo Command Module with the Lunar Excursion Module have been the subject of simulator studies for several years. This figure illustrates the Gemini-Agena rendezvous docking simulator at Langley. The Gemini spacecraft was supported in a gimbal system by an overhead crane and gantry arrangement which provided 6 degrees of freedom - roll, pitch, yaw, and translation in any direction - all controllable by the astronaut in the spacecraft. Here again the controls fed into a computer which in turn provided an input to the servos driving the spacecraft so that it responded to control motions in a manner which accurately simulated the Gemini spacecraft. -- Published in Barton C. Hacker and James M. Grimwood, On the Shoulders of Titans: A History of Project Gemini, NASA SP-4203 Francis B. Smith, Simulators for Manned Space Research, Paper presented at the 1966 IEEE International convention, March 21-25, 1966.

Simulated Family Therapy: A Classroom Demonstration

ERIC Educational Resources Information Center

Banyard, Victoria L.; Fernald, Peter S.

2002-01-01

In this article, we describe a demonstration and discussion of an initial family therapy interview simulated by 4 student volunteers. Several concepts and principles fundamental to family therapy are illustrated: interview stages, one-person definition of a problem, systemic perspective, clear generation line, unified executive team, disengaged…

Thresholds of Extinction: Simulation Strategies in Environmental Values Education.

ERIC Educational Resources Information Center

Glew, Frank

1990-01-01

Describes a simulation exercise for campers and an accompanying curriculum unit--"Thresholds of Extinction"--that addresses the issues of endangered species. Uses this context to illustrate steps in the process of values development: awareness, gathering data, resolution (decision making), responsibility (acting on values), and…

Reducing model uncertainty effects in flexible manipulators through the addition of passive damping

NASA Technical Reports Server (NTRS)

Alberts, T. E.

1987-01-01

An important issue in the control of practical systems is the effect of model uncertainty on closed loop performance. This is of particular concern when flexible structures are to be controlled, due to the fact that states associated with higher frequency vibration modes are truncated in order to make the control problem tractable. Digital simulations of a single-link manipulator system are employed to demonstrate that passive damping added to the flexible member reduces adverse effects associated with model uncertainty. A controller was designed based on a model including only one flexible mode. This controller was applied to larger order systems to evaluate the effects of modal truncation. Simulations using a Linear Quadratic Regulator (LQR) design assuming full state feedback illustrate the effect of control spillover. Simulations of a system using output feedback illustrate the destabilizing effect of observation spillover. The simulations reveal that the system with passive damping is less susceptible to these effects than the untreated case.

An experimental study of nonlinear dynamic system identification

NASA Technical Reports Server (NTRS)

Stry, Greselda I.; Mook, D. Joseph

1990-01-01

A technique for robust identification of nonlinear dynamic systems is developed and illustrated using both simulations and analog experiments. The technique is based on the Minimum Model Error optimal estimation approach. A detailed literature review is included in which fundamental differences between the current approach and previous work is described. The most significant feature of the current work is the ability to identify nonlinear dynamic systems without prior assumptions regarding the form of the nonlinearities, in constrast to existing nonlinear identification approaches which usually require detailed assumptions of the nonlinearities. The example illustrations indicate that the method is robust with respect to prior ignorance of the model, and with respect to measurement noise, measurement frequency, and measurement record length.

A Tutorial on RxODE: Simulating Differential Equation Pharmacometric Models in R.

PubMed

Wang, W; Hallow, K M; James, D A

2016-01-01

This tutorial presents the application of an R package, RxODE, that facilitates quick, efficient simulations of ordinary differential equation models completely within R. Its application is illustrated through simulation of design decision effects on an adaptive dosing regimen. The package provides an efficient, versatile way to specify dosing scenarios and to perform simulation with variability with minimal custom coding. Models can be directly translated to Rshiny applications to facilitate interactive, real-time evaluation/iteration on simulation scenarios.

Multiscale Modeling and Simulation of Material Processing

DTIC Science & Technology

2006-07-01

As a re- GIMP simulations . Fig. 2 illustrates the contact algo- suit, MPM using a single mesh tends to induce early con- rithm for the contact pair ...21-07-2006 Final Performance Report 05-01-2003 - 04-30-2006 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Multiscale Modeling and Simulation of Material...development of scaling laws for multiscale simulations from atomistic to continuum using material testing techniques, such as tension and indentation

Simulation of transient flow in a shock tunnel and a high Mach number nozzle

NASA Technical Reports Server (NTRS)

Jacobs, P. A.

1991-01-01

A finite volume Navier-Stokes code was used to simulate the shock reflection and nozzle starting processes in an axisymmetric shock tube and a high Mach number nozzle. The simulated nozzle starting processes were found to match the classical quasi-1-D theory and some features of the experimental measurements. The shock reflection simulation illustrated a new mechanism for the driver gas contamination of the stagnated test gas.

Large-eddy simulations of a Salt Lake Valley cold-air pool

NASA Astrophysics Data System (ADS)

Crosman, Erik T.; Horel, John D.

2017-09-01

Persistent cold-air pools are often poorly forecast by mesoscale numerical weather prediction models, in part due to inadequate parameterization of planetary boundary-layer physics in stable atmospheric conditions, and also because of errors in the initialization and treatment of the model surface state. In this study, an improved numerical simulation of the 27-30 January 2011 cold-air pool in Utah's Great Salt Lake Basin is obtained using a large-eddy simulation with more realistic surface state characterization. Compared to a Weather Research and Forecasting model configuration run as a mesoscale model with a planetary boundary-layer scheme where turbulence is highly parameterized, the large-eddy simulation more accurately captured turbulent interactions between the stable boundary-layer and flow aloft. The simulations were also found to be sensitive to variations in the Great Salt Lake temperature and Salt Lake Valley snow cover, illustrating the importance of land surface state in modelling cold-air pools.

Reliability analysis using an exponential power model with bathtub-shaped failure rate function: a Bayes study.

PubMed

Shehla, Romana; Khan, Athar Ali

2016-01-01

Models with bathtub-shaped hazard function have been widely accepted in the field of reliability and medicine and are particularly useful in reliability related decision making and cost analysis. In this paper, the exponential power model capable of assuming increasing as well as bathtub-shape, is studied. This article makes a Bayesian study of the same model and simultaneously shows how posterior simulations based on Markov chain Monte Carlo algorithms can be straightforward and routine in R. The study is carried out for complete as well as censored data, under the assumption of weakly-informative priors for the parameters. In addition to this, inference interest focuses on the posterior distribution of non-linear functions of the parameters. Also, the model has been extended to include continuous explanatory variables and R-codes are well illustrated. Two real data sets are considered for illustrative purposes.

Correspondence model-based 4D VMAT dose simulation for analysis of local metastasis recurrence after extracranial SBRT

NASA Astrophysics Data System (ADS)

Sothmann, T.; Gauer, T.; Wilms, M.; Werner, R.

2017-12-01

The purpose of this study is to introduce a novel approach to incorporate patient-specific breathing variability information into 4D dose simulation of volumetric arc therapy (VMAT)-based stereotactic body radiotherapy (SBRT) of extracranial metastases. Feasibility of the approach is illustrated by application to treatment planning and motion data of lung and liver metastasis patients. The novel 4D dose simulation approach makes use of a regression-based correspondence model that allows representing patient motion variability by breathing signal-steered interpolation and extrapolation of deformable image registration motion fields. To predict the internal patient motion during treatment with only external breathing signal measurements being available, the patients’ internal motion information and external breathing signals acquired during 4D CT imaging were correlated. Combining the correspondence model, patient-specific breathing signal measurements during treatment and time-resolved information about dose delivery, reconstruction of a motion variability-affected dose becomes possible. As a proof of concept, the proposed approach is illustrated by a retrospective 4D simulation of VMAT-based SBRT treatment of ten patients with 15 treated lung and liver metastases and known clinical endpoints for the individual metastases (local metastasis recurrence yes/no). Resulting 4D-simulated dose distributions were compared to motion-affected dose distributions estimated by standard 4D CT-only dose accumulation and the originally (i.e. statically) planned dose distributions by means of GTV D98 indices (dose to 98% of the GTV volume). A potential linkage of metastasis-specific endpoints to differences between GTV D98 indices of planned and 4D-simulated dose distributions was analyzed.

Divide and conquer approach to quantum Hamiltonian simulation

NASA Astrophysics Data System (ADS)

Hadfield, Stuart; Papageorgiou, Anargyros

2018-04-01

We show a divide and conquer approach for simulating quantum mechanical systems on quantum computers. We can obtain fast simulation algorithms using Hamiltonian structure. Considering a sum of Hamiltonians we split them into groups, simulate each group separately, and combine the partial results. Simulation is customized to take advantage of the properties of each group, and hence yield refined bounds to the overall simulation cost. We illustrate our results using the electronic structure problem of quantum chemistry, where we obtain significantly improved cost estimates under very mild assumptions.

A Physical Model for Shallow Groundwater Studies and the Simulation of Land Drain Performance.

ERIC Educational Resources Information Center

Parkinson, Robert; Reid, Ian

1987-01-01

Describes a two-dimensional sand-tank model that illustrates the influence of ground slope on tile drain discharge and the movement of groundwater in general. The model can be used to demonstrate the effect of topography on sub-surface water movement in agricultural catchments, thus it is a useful hydrological teaching aid. (Author/BSR)

Incorporating approximation error in surrogate based Bayesian inversion

NASA Astrophysics Data System (ADS)

Zhang, J.; Zeng, L.; Li, W.; Wu, L.

2015-12-01

There are increasing interests in applying surrogates for inverse Bayesian modeling to reduce repetitive evaluations of original model. In this way, the computational cost is expected to be saved. However, the approximation error of surrogate model is usually overlooked. This is partly because that it is difficult to evaluate the approximation error for many surrogates. Previous studies have shown that, the direct combination of surrogates and Bayesian methods (e.g., Markov Chain Monte Carlo, MCMC) may lead to biased estimations when the surrogate cannot emulate the highly nonlinear original system. This problem can be alleviated by implementing MCMC in a two-stage manner. However, the computational cost is still high since a relatively large number of original model simulations are required. In this study, we illustrate the importance of incorporating approximation error in inverse Bayesian modeling. Gaussian process (GP) is chosen to construct the surrogate for its convenience in approximation error evaluation. Numerical cases of Bayesian experimental design and parameter estimation for contaminant source identification are used to illustrate this idea. It is shown that, once the surrogate approximation error is well incorporated into Bayesian framework, promising results can be obtained even when the surrogate is directly used, and no further original model simulations are required.

Cross-Shear Implementation in Sliding-Distance-Coupled Finite Element Analysis of Wear in Metal-on-Polyethylene Total Joint Arthroplasty: Intervertebral Total Disc Replacement as an Illustrative Application

PubMed Central

Goreham-Voss, Curtis M.; Hyde, Philip J.; Hall, Richard M.; Fisher, John; Brown, Thomas D.

2010-01-01

Computational simulations of wear of orthopaedic total joint replacement implants have proven to valuably complement laboratory physical simulators, for pre-clinical estimation of abrasive/adhesive wear propensity. This class of numerical formulations has primarily involved implementation of the Archard/Lancaster relationship, with local wear computed as the product of (finite element) contact stress, sliding speed, and a bearing-couple-dependent wear factor. The present study introduces an augmentation, whereby the influence of interface cross-shearing motion transverse to the prevailing molecular orientation of the polyethylene articular surface is taken into account in assigning the instantaneous local wear factor. The formulation augment is implemented within a widely-utilized commercial finite element software environment (ABAQUS). Using a contemporary metal-on-polyethylene total disc replacement (ProDisc-L) as an illustrative implant, physically validated computational results are presented to document the role of cross-shearing effects in alternative laboratory consensus testing protocols. Going forward, this formulation permits systematically accounting for cross-shear effects in parametric computational wear studies of metal-on-polyethylene joint replacements, heretofore a substantial limitation of such analyses. PMID:20399432

Dancing with Black Holes

NASA Astrophysics Data System (ADS)

Aarseth, S. J.

2008-05-01

We describe efforts over the last six years to implement regularization methods suitable for studying one or more interacting black holes by direct N-body simulations. Three different methods have been adapted to large-N systems: (i) Time-Transformed Leapfrog, (ii) Wheel-Spoke, and (iii) Algorithmic Regularization. These methods have been tried out with some success on GRAPE-type computers. Special emphasis has also been devoted to including post-Newtonian terms, with application to moderately massive black holes in stellar clusters. Some examples of simulations leading to coalescence by gravitational radiation will be presented to illustrate the practical usefulness of such methods.

So You Want to Become a Supreme Court Justice?

ERIC Educational Resources Information Center

Nicholanco, Edward

1989-01-01

Using a simulation of the constitutional procedures on appointment of U.S. Supreme Court justices, illustrates how the separation of powers established by the Constitution affects all three branches of government. Provides an outline of the simulation procedure, a lesson plan, and a brief bibliography. (LS)

Use of Data to Improve Seasonal-to-Interannual Forecasts Simulated by Intermediate Coupled Models

NASA Technical Reports Server (NTRS)

Perigaud, C.; Cassou, C.; Dewitte, B.; Fu, L-L.; Neelin, J.

1999-01-01

This paper provides a detailed illustration that it can be much more beneficial for ENSO forecasting to use data to improve the model parameterizations rather than to modify the initial conditions to gain in consistency with the simulated coupled system.

Remote Sensing Simulation Activities for Earthlings

ERIC Educational Resources Information Center

Krockover, Gerald H.; Odden, Thomas D.

1977-01-01

Suggested are activities using a Polaroid camera to illustrate the capabilities of remote sensing. Reading materials from the National Aeronautics and Space Administration (NASA) are suggested. Methods for (1) finding a camera's focal length, (2) calculating ground dimension photograph simulation, and (3) limiting size using film resolution are…

Dynamic Evaluation of Long-Term Air Quality Model Simulations Over the Northeastern U.S.

EPA Science Inventory

Dynamic model evaluation assesses a modeling system's ability to reproduce changes in air quality induced by changes in meteorology and/or emissions. In this paper, we illustrate various approaches to dynamic mode evaluation utilizing 18 years of air quality simulations perform...

Purpose and applications [Chapter 1

Treesearch

Nicholas L. Crookston

2003-01-01

The Fire and Fuels Extension (FFE) to the Forest Vegetation Simulator (FVS) simulates fuel dynamics and potential fire behavior over time, in the context of stand development and management. This chapter provides an introduction to the model by illustrating its purpose and chronicling some of the applications it has supported.

Random function representation of stationary stochastic vector processes for probability density evolution analysis of wind-induced structures

NASA Astrophysics Data System (ADS)

Liu, Zhangjun; Liu, Zenghui

2018-06-01

This paper develops a hybrid approach of spectral representation and random function for simulating stationary stochastic vector processes. In the proposed approach, the high-dimensional random variables, included in the original spectral representation (OSR) formula, could be effectively reduced to only two elementary random variables by introducing the random functions that serve as random constraints. Based on this, a satisfactory simulation accuracy can be guaranteed by selecting a small representative point set of the elementary random variables. The probability information of the stochastic excitations can be fully emerged through just several hundred of sample functions generated by the proposed approach. Therefore, combined with the probability density evolution method (PDEM), it could be able to implement dynamic response analysis and reliability assessment of engineering structures. For illustrative purposes, a stochastic turbulence wind velocity field acting on a frame-shear-wall structure is simulated by constructing three types of random functions to demonstrate the accuracy and efficiency of the proposed approach. Careful and in-depth studies concerning the probability density evolution analysis of the wind-induced structure have been conducted so as to better illustrate the application prospects of the proposed approach. Numerical examples also show that the proposed approach possesses a good robustness.

[Lack of correlation between performances in a simulator and in reality].

PubMed

Konge, Lars; Bitsch, Mikael

2010-12-13

Simulation-based training provides obvious benefits for patients and doctors in education. Frequently, virtual reality simulators are expensive and evidence for their efficacy is poor, particularly as a result of studies with poor methodology and few test participants. In medical simulated training- and evaluation programmes it is always a question of transfer to the real clinical world. To illustrate this problem a study comparing the test performance of persons on a bowling simulator with their performance in a real bowling alley was conducted. Twenty-five test subjects played two rounds of bowling on a Nintendo Wii and 25 days later on a real bowling alley. Correlations of the scores in the first and second round (test-retest-reliability) and of the scores on the simulator and in reality (criterion validation) were studied and there was tested for any difference between female and male performance. The intraclass correlation coefficient equalled 0.76, i.e. the simulator fairly accurately measured participant performance. In contrast to this there was absolutely no correlation between participants' real bowling abilities and their scores on the simulator (Pearson's r = 0.06). There was no significant difference between female and male abilities. Simulation-based testing and training must be based on evidence. More studies are needed to include an adequate number of subjects. Bowling competence should not be based on Nintendo Wii measurements. Simulated training- and evaluation programmes should be validated before introduction, to ensure consistency with the real world.

Introducing GEOPHIRES v2.0: Updated Geothermal Techno-Economic Simulation Tool: Preprint

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

Beckers, Koenraad J; McCabe, Kevin

This paper presents an updated version of the geothermal techno-economic simulation tool GEOPHIRES (GEOthermal Energy for Production of Heat and electricity (IR) Economically Simulated). GEOPHIRES combines reservoir, wellbore, surface plant and economic models to estimate the capital, and operation and maintenance costs, lifetime energy production, and overall levelized cost of energy of a geothermal plant. The available end-use options are electricity, direct-use heat and cogeneration. The main updates in the new version include conversion of the source code from FORTRAN to Python, the option to couple to an external reservoir simulator, updated cost correlations, and more flexibility in selecting themore » time step and number of injection and production wells. An overview of all the updates and two case-studies to illustrate the tool's new capabilities are provided in this paper.« less

A study on directional resistivity logging-while-drilling based on self-adaptive hp-FEM

NASA Astrophysics Data System (ADS)

Liu, Dejun; Li, Hui; Zhang, Yingying; Zhu, Gengxue; Ai, Qinghui

2014-12-01

Numerical simulation of resistivity logging-while-drilling (LWD) tool response provides guidance for designing novel logging instruments and interpreting real-time logging data. In this paper, based on self-adaptive hp-finite element method (hp-FEM) algorithm, we analyze LWD tool response against model parameters and briefly illustrate geosteering capabilities of directional resistivity LWD. Numerical simulation results indicate that the change of source spacing is of obvious influence on the investigation depth and detecting precision of resistivity LWD tool; the change of frequency can improve the resolution of low-resistivity formation and high-resistivity formation. The simulation results also indicate that the self-adaptive hp-FEM algorithm has good convergence speed and calculation accuracy to guide the geologic steering drilling and it is suitable to simulate the response of resistivity LWD tools.

eLoom and Flatland: specification, simulation and visualization engines for the study of arbitrary hierarchical neural architectures.

PubMed

Caudell, Thomas P; Xiao, Yunhai; Healy, Michael J

2003-01-01

eLoom is an open source graph simulation software tool, developed at the University of New Mexico (UNM), that enables users to specify and simulate neural network models. Its specification language and libraries enables users to construct and simulate arbitrary, potentially hierarchical network structures on serial and parallel processing systems. In addition, eLoom is integrated with UNM's Flatland, an open source virtual environments development tool to provide real-time visualizations of the network structure and activity. Visualization is a useful method for understanding both learning and computation in artificial neural networks. Through 3D animated pictorially representations of the state and flow of information in the network, a better understanding of network functionality is achieved. ART-1, LAPART-II, MLP, and SOM neural networks are presented to illustrate eLoom and Flatland's capabilities.

GTKDynamo: a PyMOL plug-in for QC/MM hybrid potential simulations

PubMed Central

Bachega, José Fernando R.; Timmers, Luís Fernando S.M.; Assirati, Lucas; Bachega, Leonardo R.; Field, Martin J.; Wymore, Troy

2014-01-01

Hybrid quantum chemical (QC)/molecular mechanical (MM) potentials are very powerful tools for molecular simulation. They are especially useful for studying processes in condensed phase systems, such as chemical reactions, that involve a relatively localized change in electronic structure and where the surrounding environment contributes to these changes but can be represented with more computationally efficient functional forms. Despite their utility, however, these potentials are not always straightforward to apply since the extent of significant electronic structure changes occurring in the condensed phase process may not be intuitively obvious. To facilitate their use we have developed an open-source graphical plug-in, GTKDynamo, that links the PyMOL visualization program and the pDynamo QC/MM simulation library. This article describes the implementation of GTKDynamo and its capabilities and illustrates its application to QC/MM simulations. PMID:24137667

The discovery of the causes of leprosy: A computational analysis

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

Corruble, V.; Ganascia, J.G.

1996-12-31

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

Adding an Intelligent Tutoring System to an Existing Training Simulation

DTIC Science & Technology

2006-01-01

to apply information in a job should be the goal of training. Also, conventional IMI is not able to meaningfully incorporate use of free - play simulators...incorporating desktop free - play simulators into computer-based training since the software can stand in for a human tutor in all the roles. Existing IMI...2. ITS can integrate free - play simulators and IMI BC2010 ITS DESCRIPTION Overview Figure 3 illustrates the interaction between BC2010, ITS

Simulation and control of a 20 kHz spacecraft power system

NASA Technical Reports Server (NTRS)

Wasynczuk, O.; Krause, P. C.

1988-01-01

A detailed computer representation of four Mapham inverters connected in a series, parallel arrangement has been implemented. System performance is illustrated by computer traces for the four Mapham inverters connected to a Litz cable with parallel resistance and dc receiver loads at the receiving end of the transmission cable. Methods of voltage control and load sharing between the inverters are demonstrated. Also, the detailed computer representation is used to design and to demonstrate the advantages of a feed-forward voltage control strategy. It is illustrated that with a computer simulation of this type, the performance and control of spacecraft power systems may be investigated with relative ease and facility.

Nonisothermal Analysis of Solution Kinetics by Spreadsheet Simulation

ERIC Educational Resources Information Center

de Levie, Robert

2012-01-01

A fast and generally applicable alternative solution to the problem of determining the useful shelf life of medicinal solutions is described. It illustrates the power and convenience of the combination of numerical simulation and nonlinear least squares with a practical pharmaceutical application of chemical kinetics and thermodynamics, validated…

The "Collisions Cube" Molecular Dynamics Simulator.

ERIC Educational Resources Information Center

Nash, John J.; Smith, Paul E.

1995-01-01

Describes a molecular dynamics simulator that employs ping-pong balls as the atoms or molecules and is suitable for either large lecture halls or small classrooms. Discusses its use in illustrating many of the fundamental concepts related to molecular motion and dynamics and providing a three-dimensional perspective of molecular motion. (JRH)

The SIMs Meet ESL Incorporating Authentic Computer Simulation Games into the Language Classroom

ERIC Educational Resources Information Center

Miller, Megan; Hegelheimer, Volker

2006-01-01

Despite their motivational appeal to learners, innovative and technologically advanced computer simulation games targeting native English speakers frequently remain beyond the competence of ESL learners as independent didactic tools. Guided by Chapelle's (2001) criteria for determining CALL task appropriateness, this paper illustrates how the…

Utilizing a Simulation Exercise to Illustrate Critical Inventory Management Concepts

ERIC Educational Resources Information Center

Umble, Elisabeth; Umble, Michael

2013-01-01

Most undergraduate business students simply do not appreciate the elegant mathematical beauty of inventory models. So how does an instructor capture students' interest and keep them engaged in the learning process when teaching inventory management concepts? This paper describes a competitive and energizing in-class simulation game that introduces…

Designing and Introducing Ethical Dilemmas into Computer-Based Business Simulations

ERIC Educational Resources Information Center

Schumann, Paul L.; Scott, Timothy W.; Anderson, Philip H.

2006-01-01

This article makes two contributions to the teaching of business ethics literature. First, it describes the steps involved in developing effective ethical dilemmas to incorporate into a computer-based business simulation. Second, it illustrates these steps by presenting two ethical dilemmas that an instructor can incorporate into any business…

Planning for Student Assessment: Participant's Handbook. Bilingual Evaluation Technical Assistance, Workshop III.

ERIC Educational Resources Information Center

California Univ., Los Angeles. Center for the Study of Evaluation.

This participant's handbook is designed to be used in conjunction with a workshop for planning bilingual student assessment. The following materials are included: (1) simulation materials, including descriptions of simulated programs, tests, test manuals, and printouts; (2) checklists, diagrams, and charts illustrating important points of the…

Using Simulation to Teach Distributions

ERIC Educational Resources Information Center

Doane, David P.

2004-01-01

Many students doubt that statistical distributions are of practical value. Simulation makes it possible for students to tackle challenging, understandable projects that illustrate how distributions can be used to answer "what-if" questions of the type often posed by analysts. Course materials that have been developed over two years of classroom…

The free jet as a simulator of forward velocity effects on jet noise

NASA Technical Reports Server (NTRS)

Ahuja, K. K.; Tester, B. J.; Tanna, H. K.

1978-01-01

A thorough theoretical and experimental study of the effects of the free-jet shear layer on the transmission of sound from a model jet placed within the free jet to the far-field receiver located outside the free-jet flow was conducted. The validity and accuracy of the free-jet flight simulation technique for forward velocity effects on jet noise was evaluated. Transformation charts and a systematic computational procedure for converting measurements from a free-jet simulation to the corresponding results from a wind-tunnel simulation, and, finally, to the flight case were provided. The effects of simulated forward flight on jet mixing noise, internal noise and shock-associated noise from model-scale unheated and heated jets were established experimentally in a free-jet facility. It was illustrated that the existing anomalies between full-scale flight data and model-scale flight simulation data projected to the flight case, could well be due to the contamination of flight data by engine internal noise.

A Microsoft® Excel Simulation Illustrating the Central Limit Theorem's Appropriateness for Comparing the Difference between the Means of Any Two Populations

ERIC Educational Resources Information Center

Moen, David H.; Powell, John E.

2008-01-01

Using Microsoft® Excel, several interactive, computerized learning modules are developed to illustrate the Central Limit Theorem's appropriateness for comparing the difference between the means of any two populations. These modules are used in the classroom to enhance the comprehension of this theorem as well as the concepts that provide the…

Knowledge Assisted Integrated Design of a Component and Its Manufacturing Process

NASA Astrophysics Data System (ADS)

Gautham, B. P.; Kulkarni, Nagesh; Khan, Danish; Zagade, Pramod; Reddy, Sreedhar; Uppaluri, Rohith

Integrated design of a product and its manufacturing processes would significantly reduce the total cost of the products as well as the cost of its development. However this would only be possible if we have a platform that allows us to link together simulations tools used for product design, performance evaluation and its manufacturing processes in a closed loop. In addition to that having a comprehensive knowledgebase that provides systematic knowledge guided assistance to product or process designers who may not possess in-depth design knowledge or in-depth knowledge of the simulation tools, would significantly speed up the end-to-end design process. In this paper, we propose a process and illustrate a case for achieving an integrated product and manufacturing process design assisted by knowledge support for the user to make decisions at various stages. We take transmission component design as an example. The example illustrates the design of a gear for its geometry, material selection and its manufacturing processes, particularly, carburizing-quenching and tempering, and feeding the material properties predicted during heat treatment into performance estimation in a closed loop. It also identifies and illustrates various decision stages in the integrated life cycle and discusses the use of knowledge engineering tools such as rule-based guidance, to assist the designer make informed decisions. Simulation tools developed on various commercial, open-source platforms as well as in-house tools along with knowledge engineering tools are linked to build a framework with appropriate navigation through user-friendly interfaces. This is illustrated through examples in this paper.

The effects of changing land cover on streamflow simulation in Puerto Rico

USGS Publications Warehouse

Van Beusekom, Ashley E.; Hay, Lauren E.; Viger, Roland; Gould, William A.; Collazo, Jaime; Henareh Khalyani, Azad

2014-01-01

This study quantitatively explores whether land cover changes have a substantive impact on simulated streamflow within the tropical island setting of Puerto Rico. The Precipitation Runoff Modeling System (PRMS) was used to compare streamflow simulations based on five static parameterizations of land cover with those based on dynamically varying parameters derived from four land cover scenes for the period 1953-2012. The PRMS simulations based on static land cover illustrated consistent differences in simulated streamflow across the island. It was determined that the scale of the analysis makes a difference: large regions with localized areas that have undergone dramatic land cover change may show negligible difference in total streamflow, but streamflow simulations using dynamic land cover parameters for a highly altered subwatershed clearly demonstrate the effects of changing land cover on simulated streamflow. Incorporating dynamic parameterization in these highly altered watersheds can reduce the predictive uncertainty in simulations of streamflow using PRMS. Hydrologic models that do not consider the projected changes in land cover may be inadequate for water resource management planning for future conditions.

Rumor spreading model with the different attitudes towards rumors

NASA Astrophysics Data System (ADS)

Hu, Yuhan; Pan, Qiuhui; Hou, Wenbing; He, Mingfeng

2018-07-01

Rumor spreading has a profound influence on people's well-being and social stability. There are many factors influencing rumor spreading. In this paper, we recommended an assumption that among the common mass there are three attitudes towards rumors: to like rumor spreading, to dislike rumor spreading, and to be hesitant (or neutral) to rumor spreading. Based on such an assumption, a Susceptible-Hesitating-Affected-Resistant(SHAR) model is established, which considered individuals' different attitudes towards rumor spreading. We also analyzed the local and global stability of rumor-free equilibrium and rumor-existence equilibrium, calculated the basic reproduction number of our model. With numerical simulations, we illustrated the effect of parameter changes on rumor spreading, analyzing the parameter sensitivity of the model. The results of the theoretical analysis and numerical simulations illustrated the conclusions of this study. People having different attitudes towards rumors may play different roles in the process of rumor spreading. It was surprising to find, in our research, that people who hesitate to spread rumors have a positive effect on the spread of rumors.

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

Sotomayor, Marcos

Hair cell mechanotransduction happens in tens of microseconds, involves forces of a few picoNewtons, and is mediated by nanometer-scale molecular conformational changes. As proteins involved in this process become identified and their high resolution structures become available, multiple tools are being used to explore their “single-molecule responses” to force. Optical tweezers and atomic force microscopy offer exquisite force and extension resolution, but cannot reach the high loading rates expected for high frequency auditory stimuli. Molecular dynamics (MD) simulations can reach these fast time scales, and also provide a unique view of the molecular events underlying protein mechanics, but its predictionsmore » must be experimentally verified. Thus a combination of simulations and experiments might be appropriate to study the molecular mechanics of hearing. Here I review the basics of MD simulations and the different methods used to apply force and study protein mechanics in silico. Simulations of tip link proteins are used to illustrate the advantages and limitations of this method.« less

A Software Toolkit to Study Systematic Uncertainties of the Physics Models of the Geant4 Simulation Package

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

Genser, Krzysztof; Hatcher, Robert; Perdue, Gabriel

2016-11-10

The Geant4 toolkit is used to model interactions between particles and matter. Geant4 employs a set of validated physics models that span a wide range of interaction energies. These models are tuned to cover a large variety of possible applications. This raises the critical question of what uncertainties are associated with the Geant4 physics model, or group of models, involved in a simulation project. To address the challenge, we have designed and implemented a comprehen- sive, modular, user-friendly software toolkit that allows the variation of one or more parameters of one or more Geant4 physics models involved in simulation studies.more » It also enables analysis of multiple variants of the resulting physics observables of interest in order to estimate the uncertain- ties associated with the simulation model choices. Key functionalities of the toolkit are presented in this paper and are illustrated with selected results.« less

Biological materials by design.

PubMed

Qin, Zhao; Dimas, Leon; Adler, David; Bratzel, Graham; Buehler, Markus J

2014-02-19

In this topical review we discuss recent advances in the use of physical insight into the way biological materials function, to design novel engineered materials 'from scratch', or from the level of fundamental building blocks upwards and by using computational multiscale methods that link chemistry to material function. We present studies that connect advances in multiscale hierarchical material structuring with material synthesis and testing, review case studies of wood and other biological materials, and illustrate how engineered fiber composites and bulk materials are designed, modeled, and then synthesized and tested experimentally. The integration of experiment and simulation in multiscale design opens new avenues to explore the physics of materials from a fundamental perspective, and using complementary strengths from models and empirical techniques. Recent developments in this field illustrate a new paradigm by which complex material functionality is achieved through hierarchical structuring in spite of simple material constituents.

Concurrent heterogeneous neural model simulation on real-time neuromimetic hardware.

PubMed

Rast, Alexander; Galluppi, Francesco; Davies, Sergio; Plana, Luis; Patterson, Cameron; Sharp, Thomas; Lester, David; Furber, Steve

2011-11-01

Dedicated hardware is becoming increasingly essential to simulate emerging very-large-scale neural models. Equally, however, it needs to be able to support multiple models of the neural dynamics, possibly operating simultaneously within the same system. This may be necessary either to simulate large models with heterogeneous neural types, or to simplify simulation and analysis of detailed, complex models in a large simulation by isolating the new model to a small subpopulation of a larger overall network. The SpiNNaker neuromimetic chip is a dedicated neural processor able to support such heterogeneous simulations. Implementing these models on-chip uses an integrated library-based tool chain incorporating the emerging PyNN interface that allows a modeller to input a high-level description and use an automated process to generate an on-chip simulation. Simulations using both LIF and Izhikevich models demonstrate the ability of the SpiNNaker system to generate and simulate heterogeneous networks on-chip, while illustrating, through the network-scale effects of wavefront synchronisation and burst gating, methods that can provide effective behavioural abstractions for large-scale hardware modelling. SpiNNaker's asynchronous virtual architecture permits greater scope for model exploration, with scalable levels of functional and temporal abstraction, than conventional (or neuromorphic) computing platforms. The complete system illustrates a potential path to understanding the neural model of computation, by building (and breaking) neural models at various scales, connecting the blocks, then comparing them against the biology: computational cognitive neuroscience. Copyright © 2011 Elsevier Ltd. All rights reserved.

Software sensors for bioprocesses.

PubMed

Bogaerts, Ph; Vande Wouwer, A

2003-10-01

State estimation is a significant problem in biotechnological processes, due to the general lack of hardware sensor measurements of the variables describing the process dynamics. The objective of this paper is to review a number of software sensor design methods, including extended Kalman filters, receding-horizon observers, asymptotic observers, and hybrid observers, which can be efficiently applied to bioprocesses. These several methods are illustrated with simulation and real-life case studies.

Turbine Engine Loads Simulator (TELS) Radiographic Systems Requirements Study

DTIC Science & Technology

1977-06-01

cell and viewed from the rear. Locations of the rotor case pinch points are illustrated in Figures C-4 through C-! 9. Table C-Ill represents the test...radiation is also attentuated by air, therefore we can write: pb2 03 EXP(~a b) ( El4 ) W = [ K---~-T X1 ] Let U = T = 1, P = 0.01 rads, #a = 3 x 10 -5 cm

9-D polarized proton transport in the MEIC figure 8 collider ring - first steps

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

Meot, F.; Morozov, V. S.

2015-05-03

Spin tracking studies in the MEIC figure-8 collider ion ring are presented, based on a very preliminary design of the lattice. They provide numerical illustrations of some of the aspects of the figure-8 concept, including spin-rotator based spin control, and lay out the path towards a complete spin tracking simulation of a figure-8 ring.

9-D polarized proton transport in the MEIC figure-8 collider ring: first steps

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

Meot, F.; Thomas Jefferson National Accelerator Facility; Morozov, V. S.

2014-10-24

Spin tracking studies in the MEIC figure-8 collider ion ring are presented, based on a very preliminary design of the lattice. They provide numerical illustrations of some of the aspects of the figure-8 concept, including spin-rotator based spin control, and lay out the path towards a complete spin tracking simulation of a figure-8 ring.

Synoptic-scale and mesoscale environments conducive to forest fires during the October 2003 extreme fire event in Southern California

Treesearch

Chenjie Huang; Y.L. Lin; M.L. Kaplan; Joseph J.J. Charney

2009-01-01

This study has employed both observational data and numerical simulation results to diagnose the synoptic-scale and mesoscale environments conducive to forest fires during the October 2003 extreme fire event in southern California. A three-stage process is proposed to illustrate the coupling of the synoptic-scale forcing that is evident from the observations,...

Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics Simulations.

PubMed

Hertig, Samuel; Latorraca, Naomi R; Dror, Ron O

2016-06-01

Molecular dynamics (MD) simulations have become a powerful and popular method for the study of protein allostery, the widespread phenomenon in which a stimulus at one site on a protein influences the properties of another site on the protein. By capturing the motions of a protein's constituent atoms, simulations can enable the discovery of allosteric binding sites and the determination of the mechanistic basis for allostery. These results can provide a foundation for applications including rational drug design and protein engineering. Here, we provide an introduction to the investigation of protein allostery using molecular dynamics simulation. We emphasize the importance of designing simulations that include appropriate perturbations to the molecular system, such as the addition or removal of ligands or the application of mechanical force. We also demonstrate how the bidirectional nature of allostery-the fact that the two sites involved influence one another in a symmetrical manner-can facilitate such investigations. Through a series of case studies, we illustrate how these concepts have been used to reveal the structural basis for allostery in several proteins and protein complexes of biological and pharmaceutical interest.

Fuzzy simulation in concurrent engineering

NASA Technical Reports Server (NTRS)

Kraslawski, A.; Nystrom, L.

1992-01-01

Concurrent engineering is becoming a very important practice in manufacturing. A problem in concurrent engineering is the uncertainty associated with the values of the input variables and operating conditions. The problem discussed in this paper concerns the simulation of processes where the raw materials and the operational parameters possess fuzzy characteristics. The processing of fuzzy input information is performed by the vertex method and the commercial simulation packages POLYMATH and GEMS. The examples are presented to illustrate the usefulness of the method in the simulation of chemical engineering processes.

[Simulated used of the "grasping tie" as in esophago-jejunostomy after total gastrectomy].

PubMed

Picardi, Nicola

2003-01-01

Simulated test of effectiveness of the original tool grasping tie--technically already illustrated in a former paper listed in bibliography--for fixing a spongy rubber tube simulating an oesophagus on a circular stapler head axis, by tightening over it a nylon ribbon slip-knot (the tie). After connecting the head to the stapler anvil through an other spongy rubber tube simulating a jejunal loop, and the firing of the stapler, it is demonstrated the correct circular anastomosis achievable.

Simulation Applications at NASA Ames Research Center

NASA Technical Reports Server (NTRS)

Inouye, M.

1984-01-01

Aeronautical applications of simulation technology at Ames Research Center are described. The largest wind tunnel in the world is used to determine the flow field and aerodynamic characteristics of various aircraft, helicopter, and missile configurations. Large computers are used to obtain similar results through numerical solutions of the governing equations. Capabilities are illustrated by computer simulations of turbulence, aileron buzz, and an exhaust jet. Flight simulators are used to assess the handling qualities of advanced aircraft, particularly during takeoff and landing.

Mathematical Analysis of an Epidemic System in the Presence of Optimal Control and Population Dispersal

NASA Astrophysics Data System (ADS)

Nandi, Swapan Kumar; Jana, Soovoojeet; Mandal, Manotosh; Kar, T. K.

In this paper, we proposed and analyzed a susceptible-infected-recovered (SIR) type epidemic model to investigate the effect of transport-related infectious diseases namely tuberculosis, measles, rubella, influenza, sexually transmitted diseases, etc. The existence and stability criteria of both the diseases include free equilibrium point and endemic equilibrium point which are established and the threshold parametric condition for which the system passes through a transcritical bifurcation is also obtained. Optimal control strategy for control parameters is formulated and solved both theoretically and numerically. Lastly, we not only illustrate our theoretical results through graphical illustrations but also computer simulation is used to show that our model would be a good model to study the SARS epidemic in 2003.

Arrhythmic risk biomarkers for the assessment of drug cardiotoxicity: from experiments to computer simulations

PubMed Central

Corrias, A.; Jie, X.; Romero, L.; Bishop, M. J.; Bernabeu, M.; Pueyo, E.; Rodriguez, B.

2010-01-01

In this paper, we illustrate how advanced computational modelling and simulation can be used to investigate drug-induced effects on cardiac electrophysiology and on specific biomarkers of pro-arrhythmic risk. To do so, we first perform a thorough literature review of proposed arrhythmic risk biomarkers from the ionic to the electrocardiogram levels. The review highlights the variety of proposed biomarkers, the complexity of the mechanisms of drug-induced pro-arrhythmia and the existence of significant animal species differences in drug-induced effects on cardiac electrophysiology. Predicting drug-induced pro-arrhythmic risk solely using experiments is challenging both preclinically and clinically, as attested by the rise in the cost of releasing new compounds to the market. Computational modelling and simulation has significantly contributed to the understanding of cardiac electrophysiology and arrhythmias over the last 40 years. In the second part of this paper, we illustrate how state-of-the-art open source computational modelling and simulation tools can be used to simulate multi-scale effects of drug-induced ion channel block in ventricular electrophysiology at the cellular, tissue and whole ventricular levels for different animal species. We believe that the use of computational modelling and simulation in combination with experimental techniques could be a powerful tool for the assessment of drug safety pharmacology. PMID:20478918

Agent-based modeling of physical activity behavior and environmental correlations: an introduction and illustration.

PubMed

Zhu, Weimo; Nedovic-Budic, Zorica; Olshansky, Robert B; Marti, Jed; Gao, Yong; Park, Youngsik; McAuley, Edward; Chodzko-Zajko, Wojciech

2013-03-01

To introduce Agent-Based Model (ABM) to physical activity (PA) research and, using data from a study of neighborhood walkability and walking behavior, to illustrate parameters for an ABM of walking behavior. The concept, brief history, mechanism, major components, key steps, advantages, and limitations of ABM were first introduced. For illustration, 10 participants (age in years: mean = 68, SD = 8) were recruited from a walkable and a nonwalkable neighborhood. They wore AMP 331 triaxial accelerometers and GeoLogger GPA tracking devices for 21 days. Data were analyzed using conventional statistics and highresolution geographic image analysis, which focused on a) path length, b) path duration, c) number of GPS reporting points, and d) interaction between distances and time. Average steps by subjects ranged from 1810-10,453 steps per day (mean = 6899, SD = 3823). No statistical difference in walking behavior was found between neighborhoods (Walkable = 6710 ± 2781, Nonwalkable = 7096 ± 4674). Three environment parameters (ie, sidewalk, crosswalk, and path) were identified for future ABM simulation. ABM should provide a better understanding of PA behavior's interaction with the environment, as illustrated using a real-life example. PA field should take advantage of ABM in future research.

A Bayesian approach to multivariate measurement system assessment

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

Hamada, Michael Scott

This article considers system assessment for multivariate measurements and presents a Bayesian approach to analyzing gauge R&R study data. The evaluation of variances for univariate measurement becomes the evaluation of covariance matrices for multivariate measurements. The Bayesian approach ensures positive definite estimates of the covariance matrices and easily provides their uncertainty. Furthermore, various measurement system assessment criteria are easily evaluated. The approach is illustrated with data from a real gauge R&R study as well as simulated data.

Full-wave Characterization of Rough Terrain Surface Effects for Forward-looking Radar Applications: A Scattering and Imaging Study from the Electromagnetic Perspective

DTIC Science & Technology

2011-09-01

and Imaging Framework First, the parallelized 3-D FDTD algorithm is applied to simulate composite scattering from targets in a rough ground...solver as pertinent to forward-looking radar sensing , the effects of surface clutter on multistatic target imaging are illustrated with large-scale...Full-wave Characterization of Rough Terrain Surface Effects for Forward-looking Radar Applications: A Scattering and Imaging Study from the

A Bayesian approach to multivariate measurement system assessment

DOE PAGES

Hamada, Michael Scott

2016-07-01

This article considers system assessment for multivariate measurements and presents a Bayesian approach to analyzing gauge R&R study data. The evaluation of variances for univariate measurement becomes the evaluation of covariance matrices for multivariate measurements. The Bayesian approach ensures positive definite estimates of the covariance matrices and easily provides their uncertainty. Furthermore, various measurement system assessment criteria are easily evaluated. The approach is illustrated with data from a real gauge R&R study as well as simulated data.

System reliability of randomly vibrating structures: Computational modeling and laboratory testing

NASA Astrophysics Data System (ADS)

Sundar, V. S.; Ammanagi, S.; Manohar, C. S.

2015-09-01

The problem of determination of system reliability of randomly vibrating structures arises in many application areas of engineering. We discuss in this paper approaches based on Monte Carlo simulations and laboratory testing to tackle problems of time variant system reliability estimation. The strategy we adopt is based on the application of Girsanov's transformation to the governing stochastic differential equations which enables estimation of probability of failure with significantly reduced number of samples than what is needed in a direct simulation study. Notably, we show that the ideas from Girsanov's transformation based Monte Carlo simulations can be extended to conduct laboratory testing to assess system reliability of engineering structures with reduced number of samples and hence with reduced testing times. Illustrative examples include computational studies on a 10-degree of freedom nonlinear system model and laboratory/computational investigations on road load response of an automotive system tested on a four-post test rig.

Airflow Hazard Visualization for Helicopter Pilots: Flight Simulation Study Results

NASA Technical Reports Server (NTRS)

Aragon, Cecilia R.; Long, Kurtis R.

2005-01-01

Airflow hazards such as vortices or low level wind shear have been identified as a primary contributing factor in many helicopter accidents. US Navy ships generate airwakes over their decks, creating potentially hazardous conditions for shipboard rotorcraft launch and recovery. Recent sensor developments may enable the delivery of airwake data to the cockpit, where visualizing the hazard data may improve safety and possibly extend ship/helicopter operational envelopes. A prototype flight-deck airflow hazard visualization system was implemented on a high-fidelity rotorcraft flight dynamics simulator. Experienced helicopter pilots, including pilots from all five branches of the military, participated in a usability study of the system. Data was collected both objectively from the simulator and subjectively from post-test questionnaires. Results of the data analysis are presented, demonstrating a reduction in crash rate and other trends that illustrate the potential of airflow hazard visualization to improve flight safety.

Computer software tool REALM for sustainable water allocation and management.

PubMed

Perera, B J C; James, B; Kularathna, M D U

2005-12-01

REALM (REsource ALlocation Model) is a generalised computer simulation package that models harvesting and bulk distribution of water resources within a water supply system. It is a modeling tool, which can be applied to develop specific water allocation models. Like other water resource simulation software tools, REALM uses mass-balance accounting at nodes, while the movement of water within carriers is subject to capacity constraints. It uses a fast network linear programming algorithm to optimise the water allocation within the network during each simulation time step, in accordance with user-defined operating rules. This paper describes the main features of REALM and provides potential users with an appreciation of its capabilities. In particular, it describes two case studies covering major urban and rural water supply systems. These case studies illustrate REALM's capabilities in the use of stochastically generated data in water supply planning and management, modelling of environmental flows, and assessing security of supply issues.

Keno-21: Fundamental Issues in the Design of Geophysical Simulation Experiments and Resource Allocation in Climate Modelling

NASA Astrophysics Data System (ADS)

Smith, L. A.

2001-05-01

Many sources of uncertainty come into play when modelling geophysical systems by simulation. These include uncertainty in the initial condition, uncertainty in model parameter values (and the parameterisations themselves) and error in the model class from which the model(s) was selected. In recent decades, climate simulations have focused resources on reducing the last of these by including more and more details into the model. One can question when this ``kitchen sink'' approach should be complimented with realistic estimates of the impact from other uncertainties noted above. Indeed while the impact of model error can never be fully quantified, as all simulation experiments are interpreted a the rosy scenario which assumes a priori that nothing crucial is missing, the impact of other uncertainties can be quantified at only the cost of computational power; as illustrated, for example, in ensemble climate modelling experiments like Casino-21. This talk illustrates the interplay uncertainties in the context of a trivial nonlinear system and an ensemble of models. The simple systems considered in this small scale experiment, Keno-21, are meant to illustrate issues of experimental design; they are not intended to provide true climate simulations. The use of simulation models with huge numbers of parameters given limited data is usually justified by an appeal to the Laws of Physics: the number of free degrees-of-freedom are many fewer than the number of variables; both variables, parameterisations, and parameter values are constrained by ``the physics" and the resulting simulation yields a realistic reproduction of the entire planet's climate system to within reasonable bounds. But what bounds? exactly? In a single model run under transient forcing scenario, there are good statistical grounds for considering only large space and time averages; most of these reasons vanish if an ensemble of runs are made. Ensemble runs can quantify the (in)ability of a model to provide insight on regional changes: if a model cannot capture regional variations in the data on which the model was constructed (that is, in-sample) claims that out-of-sample predictions of those same regional averages should be used in policy making are vacuous. While motivated by climate modelling and illustrated on a trivial nonlinear system, these issues have implications across the range of geophysical modelling. These include implications for appropriate resource allocation, on the making of science policy, and on the public understanding of science and the role of uncertainty in decision making.

Chem Lab Simulation #3 and #4.

ERIC Educational Resources Information Center

Pipeline, 1983

1983-01-01

Two copy-protected chemistry simulations (for Apple II) are described. The first demonstrates Hess' law of heat reaction. The second illustrates how heat of vaporization can be used to determine an unknown liquid and shows how to find thermodynamic parameters in an equilibrium reaction. Both are self-instructing and use high-resolution graphics.…

Theoretical Grounds for the Propagation of Uncertainties in Monte Carlo Particle Transport

NASA Astrophysics Data System (ADS)

Saracco, Paolo; Pia, Maria Grazia; Batic, Matej

2014-04-01

We introduce a theoretical framework for the calculation of uncertainties affecting observables produced by Monte Carlo particle transport, which derive from uncertainties in physical parameters input into simulation. The theoretical developments are complemented by a heuristic application, which illustrates the method of calculation in a streamlined simulation environment.

Battery Lifetime Analysis and Simulation Tool Suite | Transportation

Science.gov Websites

comparisons of different battery-use strategies to predict long-term performance in electric vehicle (EV) and economic and greenhouse gas impacts of different EV scenarios. An illustrated graphic showing thermal . Users can enter their own battery duty cycles for direct simulation to evaluate the impacts of different

Possibilities of Particle Finite Element Methods in Industrial Forming Processes

NASA Astrophysics Data System (ADS)

Oliver, J.; Cante, J. C.; Weyler, R.; Hernandez, J.

2007-04-01

The work investigates the possibilities offered by the particle finite element method (PFEM) in the simulation of forming problems involving large deformations, multiple contacts, and new boundaries generation. The description of the most distinguishing aspects of the PFEM, and its application to simulation of representative forming processes, illustrate the proposed methodology.

Evaluation of Visual Computer Simulator for Computer Architecture Education

ERIC Educational Resources Information Center

Imai, Yoshiro; Imai, Masatoshi; Moritoh, Yoshio

2013-01-01

This paper presents trial evaluation of a visual computer simulator in 2009-2011, which has been developed to play some roles of both instruction facility and learning tool simultaneously. And it illustrates an example of Computer Architecture education for University students and usage of e-Learning tool for Assembly Programming in order to…

Validity of using photographs to simulate visible qualities of forest recreation environments

Treesearch

Robin E. Hoffman; James F. Palmer

1995-01-01

Forest recreation managers and researchers interested in conserving and improving the visual quality and recreation opportunities available in forest environments must often resort to simulations as a means of illustrating alternatives for potential users to evaluate. This paper reviews the results of prior research evaluating the validity of using photographic...

Developing Interactive Educational Engineering Software for the World Wide Web with Java.

ERIC Educational Resources Information Center

Reed, John A.; Afjeh, Abdollah A.

1998-01-01

Illustrates the design and implementation of a Java applet for use in educational propulsion engineering curricula. The Java Gas Turbine Simulator applet provides an interactive graphical environment which allows the rapid, efficient construction and analysis of arbitrary gas turbine systems. The simulator can be easily accessed from the World…

Entropy and Galilean Invariance of Lattice Boltzmann Theories

NASA Astrophysics Data System (ADS)

Chikatamarla, Shyam S.; Karlin, Iliya V.

2006-11-01

A theory of lattice Boltzmann (LB) models for hydrodynamic simulation is developed upon a novel relation between entropy construction and roots of Hermite polynomials. A systematic procedure is described for constructing numerically stable and complete Galilean invariant LB models. The stability of the new LB models is illustrated with a shock tube simulation.

PopGen Fishbowl: A Free Online Simulation Model of Microevolutionary Processes

ERIC Educational Resources Information Center

Jones, Thomas C.; Laughlin, Thomas F.

2010-01-01

Natural selection and other components of evolutionary theory are known to be particularly challenging concepts for students to understand. To help illustrate these concepts, we developed a simulation model of microevolutionary processes. The model features all the components of Hardy-Weinberg theory, with population size, selection, gene flow,…

A Special Education Systems Simulation Model: Teacher Training Emphasis.

ERIC Educational Resources Information Center

Jones, Wayne; And Others

The authors illustrate the application of a systems approach for educational decision-makers through utilization of a special education systems simulation model with emphasis on teacher training. It is noted that the model provides a procedure to answer "what if" type questions before actually implementing a proposed program. Discussed are the…

Intricacies of modern supercomputing illustrated with recent advances in simulations of strongly correlated electron systems

NASA Astrophysics Data System (ADS)

Schulthess, Thomas C.

2013-03-01

The continued thousand-fold improvement in sustained application performance per decade on modern supercomputers keeps opening new opportunities for scientific simulations. But supercomputers have become very complex machines, built with thousands or tens of thousands of complex nodes consisting of multiple CPU cores or, most recently, a combination of CPU and GPU processors. Efficient simulations on such high-end computing systems require tailored algorithms that optimally map numerical methods to particular architectures. These intricacies will be illustrated with simulations of strongly correlated electron systems, where the development of quantum cluster methods, Monte Carlo techniques, as well as their optimal implementation by means of algorithms with improved data locality and high arithmetic density have gone hand in hand with evolving computer architectures. The present work would not have been possible without continued access to computing resources at the National Center for Computational Science of Oak Ridge National Laboratory, which is funded by the Facilities Division of the Office of Advanced Scientific Computing Research, and the Swiss National Supercomputing Center (CSCS) that is funded by ETH Zurich.

A Study of Longitudinal Control Problems at Low and Negative Damping and Stability with Emphasis on Effects of Motion Cues

NASA Technical Reports Server (NTRS)

Sadoff, Melvin; McFadden, Norman M.; Heinle, Donovan R.

1961-01-01

As part of a general investigation to determine the effects of simulator motions on pilot opinion and task performance over a wide range of vehicle longitudinal dynamics, a cooperative NASA-AMAL program was conducted on the centrifuge at Johnsville, Pennsylvania. The test parameters and measurements for this program duplicated those of earlier studies made at Ames Research Center with a variable-stability airplane and with a pitch-roll chair flight simulator. Particular emphasis was placed on the minimum basic damping and stability the pilots would accept and on the minimum dynamics they considered controllable in the event of stability-augmentation system failure. Results of the centrifuge-simulator program indicated that small positive damping was required by the pilots over most of the frequency range covered for configurations rated acceptable for emergency conditions only (e.g., failure of a pitch damper). It was shown that the pilot's tolerance for unstable dynamics was dependent primarily on the value of damping. For configurations rated acceptable for emergency operation only, the allowable instability and damping corresponded to a divergence time to double amplitude of about 1 second. Comparisons were made of centrifuge, pitch-chair and fixed-cockpit simulator tests with flight tests. Pilot ratings indicated that the effects of incomplete or spurious motion cues provided by these three modes of simulation were important only for high-frequency, lightly damped dynamics or unstable, moderately damped dynamics. The pitch- chair simulation, which provided accurate angular-acceleration cues to the pilot, compared most favorably with flight. For the centrifuge simulation, which furnished accurate normal accelerations but spurious pitching and longitudinal accelerations, there was a deterioration of pilots' opinion relative to flight results. Results of simulator studies with an analog pilot replacing the human pilot illustrated the adaptive capability of human pilots in coping with the wide range of vehicle dynamics and the control problems covered in this study. It was shown that pilot-response characteristics, deduced by the analog-pilot method, could be related to pilot opinion. Possible application of these results for predicting flight-control problems was illustrated by means of an example control-problem analysis. The results of a brief evaluation of a pencil-type side-arm controller in the centrifuge showed a considerable improvement in the pilots' ability to cope with high-frequency, low-damping dynamics, compared to results obtained with the center stick. This improvement with the pencil controller was attributed primarily to a marked reduction in the adverse effects of large and exaggerated pitching and longitudinal accelerations on pilot control precision.

A Software Toolkit to Study Systematic Uncertainties of the Physics Models of the Geant4 Simulation Package

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

Genser, Krzysztof; Hatcher, Robert; Kelsey, Michael

The Geant4 simulation toolkit is used to model interactions between particles and matter. Geant4 employs a set of validated physics models that span a wide range of interaction energies. These models rely on measured cross-sections and phenomenological models with the physically motivated parameters that are tuned to cover many application domains. To study what uncertainties are associated with the Geant4 physics models we have designed and implemented a comprehensive, modular, user-friendly software toolkit that allows the variation of one or more parameters of one or more Geant4 physics models involved in simulation studies. It also enables analysis of multiple variantsmore » of the resulting physics observables of interest in order to estimate the uncertainties associated with the simulation model choices. Based on modern event-processing infrastructure software, the toolkit offers a variety of attractive features, e.g. exible run-time con gurable work ow, comprehensive bookkeeping, easy to expand collection of analytical components. Design, implementation technology, and key functionalities of the toolkit are presented in this paper and illustrated with selected results.« less

Propagation of uncertainty in nasal spray in vitro performance models using Monte Carlo simulation: Part II. Error propagation during product performance modeling.

PubMed

Guo, Changning; Doub, William H; Kauffman, John F

2010-08-01

Monte Carlo simulations were applied to investigate the propagation of uncertainty in both input variables and response measurements on model prediction for nasal spray product performance design of experiment (DOE) models in the first part of this study, with an initial assumption that the models perfectly represent the relationship between input variables and the measured responses. In this article, we discard the initial assumption, and extended the Monte Carlo simulation study to examine the influence of both input variable variation and product performance measurement variation on the uncertainty in DOE model coefficients. The Monte Carlo simulations presented in this article illustrate the importance of careful error propagation during product performance modeling. Our results show that the error estimates based on Monte Carlo simulation result in smaller model coefficient standard deviations than those from regression methods. This suggests that the estimated standard deviations from regression may overestimate the uncertainties in the model coefficients. Monte Carlo simulations provide a simple software solution to understand the propagation of uncertainty in complex DOE models so that design space can be specified with statistically meaningful confidence levels. (c) 2010 Wiley-Liss, Inc. and the American Pharmacists Association

In vivo versus simulation training: an interactional analysis of range and type of training exemplars.

PubMed Central

Neef, N A; Lensbower, J; Hockersmith, I; DePalma, V; Gray, K

1990-01-01

We analyzed the role of the range of variation in training exemplars as a contextual variable influencing the effects of in vivo versus simulation training in producing generalized responding. Four mentally retarded adults received single case instruction, followed by general case instruction, on washing machine and dryer use; one task was taught using actual appliances (in vivo) and the other using simulation. In vivo and simulation training were counterbalanced across the two tasks for the 2 subject pairs, using a within-subjects Latin square design. With both paradigms, more errors were made after single case than after general case instruction during probe sessions with untrained washing machines and dryers. These results suggest that generalization errors were affected by the range of training exemplars and not by the use of simulated versus natural training stimuli. Although both general case simulation and general case in vivo training facilitated generalized performance of laundry skills, an analysis of training time and costs indicated that the former approach was more efficient. The study illustrates a methodology for studying complex interactions and guiding decisions on the optimal use of instructional alternatives. PMID:2074236

The simulation approach to lipid-protein interactions.

PubMed

Paramo, Teresa; Garzón, Diana; Holdbrook, Daniel A; Khalid, Syma; Bond, Peter J

2013-01-01

The interactions between lipids and proteins are crucial for a range of biological processes, from the folding and stability of membrane proteins to signaling and metabolism facilitated by lipid-binding proteins. However, high-resolution structural details concerning functional lipid/protein interactions are scarce due to barriers in both experimental isolation of native lipid-bound complexes and subsequent biophysical characterization. The molecular dynamics (MD) simulation approach provides a means to complement available structural data, yielding dynamic, structural, and thermodynamic data for a protein embedded within a physiologically realistic, modelled lipid environment. In this chapter, we provide a guide to current methods for setting up and running simulations of membrane proteins and soluble, lipid-binding proteins, using standard atomistically detailed representations, as well as simplified, coarse-grained models. In addition, we outline recent studies that illustrate the power of the simulation approach in the context of biologically relevant lipid/protein interactions.

Introducing GEOPHIRES v2.0: Updated Geothermal Techno-Economic Simulation Tool

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

Beckers, Koenraad J; McCabe, Kevin

This paper presents an updated version of the geothermal techno-economic simulation tool GEOPHIRES (GEOthermal energy for Production of Heat and electricity ('IR') Economically Simulated). GEOPHIRES combines engineering models of the reservoir, wellbores, and surface plant facilities of a geothermal plant with an economic model to estimate the capital and operation and maintenance costs, lifetime energy production, and overall levelized cost of energy. The available end-use options are electricity, direct-use heat, and cogeneration. The main updates in the new version include conversion of the source code from FORTRAN to Python, the option to import temperature data (e.g., measured or from stand-alonemore » reservoir simulator), updated cost correlations, and more flexibility in selecting the time step and number of injection and production wells. In this paper, we provide an overview of all the updates and two case studies to illustrate the tool's new capabilities.« less

Neurophysiological model of the normal and abnormal human pupil

NASA Technical Reports Server (NTRS)

Krenz, W.; Robin, M.; Barez, S.; Stark, L.

1985-01-01

Anatomical, experimental, and computer simulation studies were used to determine the structure of the neurophysiological model of the pupil size control system. The computer simulation of this model demonstrates the role played by each of the elements in the neurological pathways influencing the size of the pupil. Simulations of the effect of drugs and common abnormalities in the system help to illustrate the workings of the pathways and processes involved. The simulation program allows the user to select pupil condition (normal or an abnormality), specific site along the neurological pathway (retina, hypothalamus, etc.) drug class input (barbiturate, narcotic, etc.), stimulus/response mode, display mode, stimulus type and input waveform, stimulus or background intensity and frequency, the input and output conditions, and the response at the neuroanatomical site. The model can be used as a teaching aid or as a tool for testing hypotheses regarding the system.

The new program OPAL for molecular dynamics simulations and energy refinements of biological macromolecules.

PubMed

Luginbühl, P; Güntert, P; Billeter, M; Wüthrich, K

1996-09-01

A new program for molecular dynamics (MD) simulation and energy refinement of biological macromolecules, OPAL, is introduced. Combined with the supporting program TRAJEC for the analysis of MD trajectories, OPAL affords high efficiency and flexibility for work with different force fields, and offers a user-friendly interface and extensive trajectory analysis capabilities. Salient features are computational speeds of up to 1.5 GFlops on vector supercomputers such as the NEC SX-3, ellipsoidal boundaries to reduce the system size for studies in explicit solvents, and natural treatment of the hydrostatic pressure. Practical applications of OPAL are illustrated with MD simulations of pure water, energy minimization of the NMR structure of the mixed disulfide of a mutant E. coli glutaredoxin with glutathione in different solvent models, and MD simulations of a small protein, pheromone Er-2, using either instantaneous or time-averaged NMR restraints, or no restraints.

Modeling a maintenance simulation of the geosynchronous platform

NASA Technical Reports Server (NTRS)

Kleiner, A. F., Jr.

1980-01-01

A modeling technique used to conduct a simulation study comparing various maintenance routines for a space platform is dicussed. A system model is described and illustrated, the basic concepts of a simulation pass are detailed, and sections on failures and maintenance are included. The operation of the system across time is best modeled by a discrete event approach with two basic events - failure and maintenance of the system. Each overall simulation run consists of introducing a particular model of the physical system, together with a maintenance policy, demand function, and mission lifetime. The system is then run through many passes, each pass corresponding to one mission and the model is re-initialized before each pass. Statistics are compiled at the end of each pass and after the last pass a report is printed. Items of interest typically include the time to first maintenance, total number of maintenance trips for each pass, average capability of the system, etc.

Soil Organic Matter (SOM): Molecular Simulations

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

Andersen, Amity

Molecular simulation is a powerful tool used to gain an atomistic, molecular, and nanoscale level understanding of the structure, dynamics, and interactions from adsorption on minerals and assembly in aggregates of soil organic matter (SOM). Given the importance of SOM fate and persistence in soils and the current knowledge gaps, applications of atomistic scale simulations to study the complex compounds in SOM and their interactions in self-assembled aggregates composed of different organic matter compounds and with mineral surfaces of different types common in soils are few and far between. Here, we describe various molecular simulation methods that are currently inmore » use in various areas and applicable to SOM research, followed by a brief survey of specific applications to SOM research and an illustration with our own recent efforts in this area. We conclude with an outlook and the challenges for future research in this area.« less

Can physical joint simulators be used to anticipate clinical wear problems of new joint replacement implants prior to market release?

PubMed

Medley, John B

2016-05-01

One of the most important mandates of physical joint simulators is to provide test results that allow the implant manufacturer to anticipate and perhaps avoid clinical wear problems with their new products. This is best done before market release. This study gives four steps to follow in conducting such wear simulator testing. Two major examples involving hip wear simulators are discussed in which attempts had been made to predict clinical wear performance prior to market release. The second one, involving the DePuy ASR implant systems, is chosen for more extensive treatment by making it an illustrative example to explore whether wear simulator testing can anticipate clinical wear problems. It is concluded that hip wear simulator testing did provide data in the academic literature that indicated some risk of clinical wear problems prior to market release of the ASR implant systems. This supports the idea that physical joint simulators have an important role in the pre-market testing of new joint replacement implants. © IMechE 2016.

Effects of geometry on blast-induced loadings

NASA Astrophysics Data System (ADS)

Moore, Christopher Dyer

Simulations of blasts in an urban environment were performed using Loci/BLAST, a full-featured fluid dynamics simulation code, and analyzed. A two-structure urban environment blast case was used to perform a mesh refinement study. Results show that mesh spacing on and around the structure must be 12.5 cm or less to resolve fluid dynamic features sufficiently to yield accurate results. The effects of confinement were illustrated by analyzing a blast initiated from the same location with and without the presence of a neighboring structure. Analysis of extreme pressures and impulses on structures showed that confinement can increase blast loading by more than 200 percent.

Shuttle/TDRSS modelling and link simulation study

NASA Technical Reports Server (NTRS)

Braun, W. R.; Mckenzie, T. M.; Biederman, L.; Lindsey, W. C.

1979-01-01

A Shuttle/TDRSS S-band and Ku-band link simulation package called LinCsim was developed for the evaluation of link performance for specific Shuttle signal designs. The link models were described in detail and the transmitter distortion parameters or user constraints were carefully defined. The overall link degradation (excluding hardware degradations) relative to an ideal BPSK channel were given for various sets of user constraint values. The performance sensitivity to each individual user constraint was then illustrated. The effect of excessive Spacelab clock jitter on the return link BER performance was also investigated as was the problem of subcarrier recovery for the K-band Shuttle return link signal.

Optical designs for MWIR and four quadrant detectors by using beam steering methods in missile applications

NASA Astrophysics Data System (ADS)

Sakarya, Doǧan Uǧur

2017-10-01

Beam steering optical arrangement needs less volume envelope for same field of regard than other gimbal approaches. Both for imaging and four quadrant missile applications, volume is critical parameter limiting system performance. Therefore, a conceptual design of beam steering method has been focused on both imaging and four quadrant missiles. In this study; four different optical designs have been made by using both beam steering and regular method for mid-wave infra-red imaging and four quadrant systems. Optical designs performances have been illustrated in simulation results. By using manufactured Risley prisms, some experimental results are conducted to compare simulations results.

An almost-parameter-free harmony search algorithm for groundwater pollution source identification.

PubMed

Jiang, Simin; Zhang, Yali; Wang, Pei; Zheng, Maohui

2013-01-01

The spatiotemporal characterization of unknown sources of groundwater pollution is frequently encountered in environmental problems. This study adopts a simulation-optimization approach that combines a contaminant transport simulation model with a heuristic harmony search algorithm to identify unknown pollution sources. In the proposed methodology, an almost-parameter-free harmony search algorithm is developed. The performance of this methodology is evaluated on an illustrative groundwater pollution source identification problem, and the identified results indicate that the proposed almost-parameter-free harmony search algorithm-based optimization model can give satisfactory estimations, even when the irregular geometry, erroneous monitoring data, and prior information shortage of potential locations are considered.

Evaluating operational vacuum for landfill biogas extraction.

PubMed

Fabbricino, Massimiliano

2007-01-01

This manuscript proposes a practical methodology for estimating the operational vacuum for landfill biogas extraction from municipal landfills. The procedure is based on two sub-models which simulate landfill gas production from organic waste decomposition and distribution of gas pressure and gas movement induced by suction at a blower station. The two models are coupled in a single mass balance equation, obtaining a relationship between the operational vacuum and the amount of landfill gas that can be extracted from an assigned system of vertical wells. To better illustrate the procedure, it is applied to a case study, where a good agreement between simulated and measured data, within +/- 30%, is obtained.

Agents with left and right dominant hemispheres and quantum statistics

NASA Astrophysics Data System (ADS)

Ezhov, Alexandr A.; Khrennikov, Andrei Yu.

2005-01-01

We present a multiagent model illustrating the emergence of two different quantum statistics, Bose-Einstein and Fermi-Dirac, in a friendly population of individuals with the right-brain dominance and in a competitive population of individuals with the left-brain hemisphere dominance, correspondingly. Doing so, we adduce the arguments that Lefebvre’s “algebra of conscience” can be used in a natural way to describe decision-making strategies of agents simulating people with different brain dominance. One can suggest that the emergence of the two principal statistical distributions is able to illustrate different types of society organization and also to be used in order to simulate market phenomena and psychic disorders, when a switching of hemisphere dominance is involved.

A stochastic agent-based model of pathogen propagation in dynamic multi-relational social networks

PubMed Central

Khan, Bilal; Dombrowski, Kirk; Saad, Mohamed

2015-01-01

We describe a general framework for modeling and stochastic simulation of epidemics in realistic dynamic social networks, which incorporates heterogeneity in the types of individuals, types of interconnecting risk-bearing relationships, and types of pathogens transmitted across them. Dynamism is supported through arrival and departure processes, continuous restructuring of risk relationships, and changes to pathogen infectiousness, as mandated by natural history; dynamism is regulated through constraints on the local agency of individual nodes and their risk behaviors, while simulation trajectories are validated using system-wide metrics. To illustrate its utility, we present a case study that applies the proposed framework towards a simulation of HIV in artificial networks of intravenous drug users (IDUs) modeled using data collected in the Social Factors for HIV Risk survey. PMID:25859056

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

3D numerical simulation of transient processes in hydraulic turbines

NASA Astrophysics Data System (ADS)

Cherny, S.; Chirkov, D.; Bannikov, D.; Lapin, V.; Skorospelov, V.; Eshkunova, I.; Avdushenko, A.

2010-08-01

An approach for numerical simulation of 3D hydraulic turbine flows in transient operating regimes is presented. The method is based on a coupled solution of incompressible RANS equations, runner rotation equation, and water hammer equations. The issue of setting appropriate boundary conditions is considered in detail. As an illustration, the simulation results for runaway process are presented. The evolution of vortex structure and its effect on computed runaway traces are analyzed.

Development of cost-effective surfactant flooding technology. Quarterly report, January 1, 1994--March 31, 1994

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

Pope, G.A.; Sepehrnoori, K.

1994-09-01

The objective of this research is to develop cost-effective surfactant flooding technology by using surfactant simulation studies to evaluate and optimize alternative design strategies taking into account reservoir characteristics, process chemistry, and process design options such as horizontal wells. Task 1 is the development of an improved numerical method for our simulator that will enable us to solve a wider class of these difficult simulation problems accurately and affordably. Task 2 is the application of this simulator to the optimization of surfactant flooding to reduce its risk and cost. The goal of Task 2 is to understand and generalize themore » impact of both process and reservoir characteristics on the optimal design of surfactant flooding. We have studied the effect of process parameters such as salinity gradient, surfactant adsorption, surfactant concentration, surfactant slug size, pH, polymer concentration and well constraints on surfactant floods. In this report, we show three dimensional field scale simulation results to illustrate the impact of one important design parameter, the salinity gradient. Although the use of a salinity gradient to improve the efficiency and robustness of surfactant flooding has been studied and applied for many years, this is the first time that we have evaluated it using stochastic simulations rather than simulations using the traditional layered reservoir description. The surfactant flooding simulations were performed using The University of Texas chemical flooding simulator called UTCHEM.« less

Protocols for Molecular Dynamics Simulations of RNA Nanostructures.

PubMed

Kim, Taejin; Kasprzak, Wojciech K; Shapiro, Bruce A

2017-01-01

Molecular dynamics (MD) simulations have been used as one of the main research tools to study a wide range of biological systems and bridge the gap between X-ray crystallography or NMR structures and biological mechanism. In the field of RNA nanostructures, MD simulations have been used to fix steric clashes in computationally designed RNA nanostructures, characterize the dynamics, and investigate the interaction between RNA and other biomolecules such as delivery agents and membranes.In this chapter we present examples of computational protocols for molecular dynamics simulations in explicit and implicit solvent using the Amber Molecular Dynamics Package. We also show examples of post-simulation analysis steps and briefly mention selected tools beyond the Amber package. Limitations of the methods, tools, and protocols are also discussed. Most of the examples are illustrated for a small RNA duplex (helix), but the protocols are applicable to any nucleic acid structure, subject only to the computational speed and memory limitations of the hardware available to the user.

Is an intuitive convergence definition of molecular dynamics simulations solely based on the root mean square deviation possible?

PubMed

Knapp, B; Frantal, S; Cibena, M; Schreiner, W; Bauer, P

2011-08-01

Molecular dynamics is a commonly used technique in computational biology. One key issue of each molecular dynamics simulation is: When does this simulation reach equilibrium state? A widely used way to determine this is the visual and intuitive inspection of root mean square deviation (RMSD) plots of the simulation. Although this technique has been criticized several times, it is still often used. Therefore, we present a study proving that this method is not reliable at all. We conducted a survey with participants from the field in which we illustrated different RMSD plots to scientists in the field of molecular dynamics. These plots were randomized and repeated, using a statistical model and different variants of the plots. We show that there is no mutual consent about the point of equilibrium. The decisions are severely biased by different parameters. Therefore, we conclude that scientists should not discuss the equilibration of a molecular dynamics simulation on the basis of a RMSD plot.

Combining Experiments and Simulation of Gas Absorption for Teaching Mass Transfer Fundamentals: Removing CO2 from Air Using Water and NaOH

ERIC Educational Resources Information Center

Clark, William M.; Jackson, Yaminah Z.; Morin, Michael T.; Ferraro, Giacomo P.

2011-01-01

Laboratory experiments and computer models for studying the mass transfer process of removing CO2 from air using water or dilute NaOH solution as absorbent are presented. Models tie experiment to theory and give a visual representation of concentration profiles and also illustrate the two-film theory and the relative importance of various…

The envelope of ballistic trajectories and elliptic orbits

NASA Astrophysics Data System (ADS)

Butikov, Eugene I.

2015-11-01

Simple geometric derivations are given for the shape of the "safety domain" boundary for the family of Keplerian orbits of equal energy in a central gravitational field and for projectile trajectories in a uniform field. Examples of practical uses of the envelope of the family of orbits are discussed and illustrated by computer simulations. This material is appropriate for physics teachers and undergraduate students studying classical mechanics and orbital motions.

Global change and terrestrial hydrology - A review

NASA Technical Reports Server (NTRS)

Dickinson, Robert E.

1991-01-01

This paper reviews the role of terrestrial hydrology in determining the coupling between the surface and atmosphere. Present experience with interactive numerical simulation is discussed and approaches to the inclusion of land hydrology in global climate models ae considered. At present, a wide range of answers as to expected changes in surface hydrology is given by nominally similar models. Studies of the effects of tropical deforestation and global warming illustrate this point.

Simulating riparian vegetation and aquatic habitat dynamics in response to natural and anthropogenic disturbance regimes in the upper Grande Ronde River, Oregon, USA.

Treesearch

S.M. Wondzell; M.A. Hemstrom; P.A. Bisson

2007-01-01

This study explored the use of state and transition models (STMs) to evaluate the effects of natural disturbances and land-use practices on aquatic and riparian habitats. The probability of stand-replacing wildfires, underburns, grazing, floods, and debris flows were used to define historical and current disturbance regimes. Model runs illustrated dramatic changes in...

A Computer-Based Undergraduate Exercise Using Internet-Accessible Simulation Software for the Study of Retention Behavior and Optimization of Separation Conditions in Ion Chromatography

ERIC Educational Resources Information Center

Haddad, Paul R.; Shaw, Matthew J.; Madden, John E.; Dicinoski, Greg W.

2004-01-01

The ability to scan retention data over a wide range of eluent composition opens up the possibility of a computerized selection of the optimal separation conditions. The major characteristics of retention behavior, peak-shape effects and pH effects evident in ion chromatography (IC) using common stationary phases and eluents are illustrated.

Vertical motion simulator familiarization guide

NASA Technical Reports Server (NTRS)

Danek, George L.

1993-01-01

The Vertical Motion Simulator Familiarization Guide provides a synoptic description of the Vertical Motion Simulator (VMS) and descriptions of the various simulation components and systems. The intended audience is the community of scientists and engineers who employ the VMS for research and development. The concept of a research simulator system is introduced and the building block nature of the VMS is emphasized. Individual sections describe all the hardware elements in terms of general properties and capabilities. Also included are an example of a typical VMS simulation which graphically illustrates the composition of the system and shows the signal flow among the elements and a glossary of specialized terms, abbreviations, and acronyms.

A computer simulator for development of engineering system design methodologies

NASA Technical Reports Server (NTRS)

Padula, S. L.; Sobieszczanski-Sobieski, J.

1987-01-01

A computer program designed to simulate and improve engineering system design methodology is described. The simulator mimics the qualitative behavior and data couplings occurring among the subsystems of a complex engineering system. It eliminates the engineering analyses in the subsystems by replacing them with judiciously chosen analytical functions. With the cost of analysis eliminated, the simulator is used for experimentation with a large variety of candidate algorithms for multilevel design optimization to choose the best ones for the actual application. Thus, the simulator serves as a development tool for multilevel design optimization strategy. The simulator concept, implementation, and status are described and illustrated with examples.

The Milky Way, the Galactic Halo, and the Halos of Galaxies

NASA Astrophysics Data System (ADS)

Gerhard, Ortwin

2016-08-01

The Milky Way, ``our'' Galaxy, is currently the subject of intense study with many ground-based surveys, in anticipation of upcoming results from the Gaia mission. From this work we have been learning about the full three-dimensional structure of the Galactic box/peanut bulge, the distribution of stars in the bar and disk, and the many streams and substructures in the Galactic halo. The data indicate that a large fraction of the Galactic halo has been accreted from outside. Similarly, in many external galaxy halos there is now evidence for tidal streams and accretion of satellites. To study these features requires exquisite, deep photometry and spectroscopy. These observations illustrate how galaxy halos are still growing, and sometimes can be used to ``time'' the accretion events. In comparison with cosmological simulations, the structure of galaxy halos gives us a vivid illustration of the hierarchical nature of our Universe.

A study on aircraft map display location and orientation

NASA Technical Reports Server (NTRS)

Baty, D. L.; Wempe, T.; Huff, E.

1973-01-01

Six airline pilots participated in a fixed-based simulator study to determine the effects of two horizontal situation display (HSD/map) panel locations relative to the vertical situation display (VSD), and of three map orientations on manual piloting performance. Pilot comments and opinions were formally obtained. Significant performance differences were found between wind conditions and among pilots but not between map locations and orientations. The results also illustrate the potential tracking accuracy of such a display. Recommendations concerning display location and map orientation are made.

A study on aircraft map display location and orientation

NASA Technical Reports Server (NTRS)

Baty, D. L.; Wempe, T. E.; Huff, E. M.

1974-01-01

Six airline pilots participated in a fixed-base simulator study to determine the effects of two horizontal situation display (HSD/map) panel locations relative to the vertical situation display (VSD), and of three map orientations on manual piloting performance. Pilot comments and opinions were formally obtained. Significant performance differences were found between wind conditions and among pilots, but not between map locations and orientations. The results also illustrate the potential tracking accuracy of such a display. Recommendations concerning display location and map orientation are made.

Implementation of the EM Algorithm in the Estimation of Item Parameters: The BILOG Computer Program.

ERIC Educational Resources Information Center

Mislevy, Robert J.; Bock, R. Darrell

This paper reviews the basic elements of the EM approach to estimating item parameters and illustrates its use with one simulated and one real data set. In order to illustrate the use of the BILOG computer program, runs for 1-, 2-, and 3-parameter models are presented for the two sets of data. First is a set of responses from 1,000 persons to five…

Dilution of Precision as a Geometry Metric for Swarm Relative Localization

DTIC Science & Technology

2017-11-01

algorithm 2.2 Intuitive DOP Illustration Before proceeding with a quantitative definition of DOP, an intuitive example will be given to illustrate the...in Fig. 11 4.2.2 Constant DOP Example Compare the results of the previous simulation to those shown in Figs. 13 and 14. Instead of only scaling...ARL-TR-8200 ● NOV 2017 US Army Research Laboratory Dilution of Precision as a Geometry Metric for Swarm Relative Localization

Developing Novel Frameworks for Many-Body Ensembles

DTIC Science & Technology

2016-03-17

RETURN YOUR FORM TO THE ABOVE ADDRESS. Massachusetts Institute of Technology (MIT) 77 Massachusetts Ave. NE18-901 Cambridge , MA 02139 -4307 15-Jul-2015...of-equilibrium dynamics and to estimate prob- Page 4 of 9 Figure 2: Illustration of the dendro- gram representation. The rectangle on the left shows...isolation as illustrated in Figure 4. Starting from random initial conditions, an ensemble of particle pairs was simulated to establish the long-time

A Graphical Simulation of Vapor-Liquid Equilibrium for Use as an Undergraduate Laboratory Experiment and to Demonstrate the Concept of Mathematical Modeling.

ERIC Educational Resources Information Center

Whitman, David L.; Terry, Ronald E.

1985-01-01

Demonstrating petroleum engineering concepts in undergraduate laboratories often requires expensive and time-consuming experiments. To eliminate these problems, a graphical simulation technique was developed for junior-level laboratories which illustrate vapor-liquid equilibrium and the use of mathematical modeling. A description of this…

Creating Realistic Data Sets with Specified Properties via Simulation

ERIC Educational Resources Information Center

Goldman, Robert N.; McKenzie, John D. Jr.

2009-01-01

We explain how to simulate both univariate and bivariate raw data sets having specified values for common summary statistics. The first example illustrates how to "construct" a data set having prescribed values for the mean and the standard deviation--for a one-sample t test with a specified outcome. The second shows how to create a bivariate data…

Teaching Simulation and Computer-Aided Separation Optimization in Liquid Chromatography by Means of Illustrative Microsoft Excel Spreadsheets

ERIC Educational Resources Information Center

Fasoula, S.; Nikitas, P.; Pappa-Louisi, A.

2017-01-01

A series of Microsoft Excel spreadsheets were developed to simulate the process of separation optimization under isocratic and simple gradient conditions. The optimization procedure is performed in a stepwise fashion using simple macros for an automatic application of this approach. The proposed optimization approach involves modeling of the peak…

Pedagogical Approach to the Modeling and Simulation of Oscillating Chemical Systems with Modern Software: The Brusselator Model

ERIC Educational Resources Information Center

Lozano-Parada, Jaime H.; Burnham, Helen; Martinez, Fiderman Machuca

2018-01-01

A classical nonlinear system, the "Brusselator", was used to illustrate the modeling and simulation of oscillating chemical systems using stability analysis techniques with modern software tools such as Comsol Multiphysics, Matlab, and Excel. A systematic approach is proposed in order to establish a regime of parametric conditions that…

Supply Chain Simulator: A Scenario-Based Educational Tool to Enhance Student Learning

ERIC Educational Resources Information Center

Siddiqui, Atiq; Khan, Mehmood; Akhtar, Sohail

2008-01-01

Simulation-based educational products are excellent set of illustrative tools that proffer features like visualization of the dynamic behavior of a real system, etc. Such products have great efficacy in education and are known to be one of the first-rate student centered learning methodologies. These products allow students to practice skills such…

Pedagogical Simulation of Sampling Distributions and the Central Limit Theorem

ERIC Educational Resources Information Center

Hagtvedt, Reidar; Jones, Gregory Todd; Jones, Kari

2007-01-01

Students often find the fact that a sample statistic is a random variable very hard to grasp. Even more mysterious is why a sample mean should become ever more Normal as the sample size increases. This simulation tool is meant to illustrate the process, thereby giving students some intuitive grasp of the relationship between a parent population…

A Computer Simulation Comparing the Incentive Structures of Dictatorships and Democracies

ERIC Educational Resources Information Center

Nishikawa, Katsuo A.; Jaeger, Joseph

2011-01-01

The draw of simulations is that by replicating a simplified version of reality they can illustrate the repercussions that individual choices create. Students can play the role of a judge, an ambassador, or a parliamentarian and can experience first hand how their decisions play out. As a discipline, we assume that such practices are an improvement…

Dealing with Environmental Issues: The Use of Simulation. Environmental Education Occasional Paper No. 5.

ERIC Educational Resources Information Center

Patton, William E.; Wilen, William W.

The paper provides a rationale for using a decision-making model in teaching environmental issues, outlines specific steps in creating a simulation, and illustrates its use in the classroom. The objectives of environmental education are to provide learning opportunities for students to know, think, choose, and act regarding pervasive social issues…

Advancing Virtual Patient Simulations through Design Research and Inter"PLAY": Part II--Integration and Field Test

ERIC Educational Resources Information Center

Hirumi, Atsusi; Johnson, Teresa; Reyes, Ramsamooj Javier; Lok, Benjamin; Johnsen, Kyle; Rivera-Gutierrez, Diego J.; Bogert, Kenneth; Kubovec, Stacey; Eakins, Michael; Kleinsmith, Andrea; Bellew, Michael; Cendan, Juan

2016-01-01

In Part I of this two-part series, we examined the design and development of NERVE: A virtual patient simulation created to give medical students standardized experiences in interviewing, examining, and diagnosing virtual patients with cranial nerve disorders. We illustrated key design features and discussed how design-based research studies…

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.

Managing simulation-based training: A framework for optimizing learning, cost, and time

NASA Astrophysics Data System (ADS)

Richmond, Noah Joseph

This study provides a management framework for optimizing training programs for learning, cost, and time when using simulation based training (SBT) and reality based training (RBT) as resources. Simulation is shown to be an effective means for implementing activity substitution as a way to reduce risk. The risk profile of 22 US Air Force vehicles are calculated, and the potential risk reduction is calculated under the assumption of perfect substitutability of RBT and SBT. Methods are subsequently developed to relax the assumption of perfect substitutability. The transfer effectiveness ratio (TER) concept is defined and modeled as a function of the quality of the simulator used, and the requirements of the activity trained. The Navy F/A-18 is then analyzed in a case study illustrating how learning can be maximized subject to constraints in cost and time, and also subject to the decision maker's preferences for the proportional and absolute use of simulation. Solution methods for optimizing multiple activities across shared resources are next provided. Finally, a simulation strategy including an operations planning program (OPP), an implementation program (IP), an acquisition program (AP), and a pedagogical research program (PRP) is detailed. The study provides the theoretical tools to understand how to leverage SBT, a case study demonstrating these tools' efficacy, and a set of policy recommendations to enable the US military to better utilize SBT in the future.

Accelerating functional verification of an integrated circuit

DOEpatents

Deindl, Michael; Ruedinger, Jeffrey Joseph; Zoellin, Christian G.

2015-10-27

Illustrative embodiments include a method, system, and computer program product for accelerating functional verification in simulation testing of an integrated circuit (IC). Using a processor and a memory, a serial operation is replaced with a direct register access operation, wherein the serial operation is configured to perform bit shifting operation using a register in a simulation of the IC. The serial operation is blocked from manipulating the register in the simulation of the IC. Using the register in the simulation of the IC, the direct register access operation is performed in place of the serial operation.

Paper simulation techniques in user requirements analysis for interactive computer systems

NASA Technical Reports Server (NTRS)

Ramsey, H. R.; Atwood, M. E.; Willoughby, J. K.

1979-01-01

This paper describes the use of a technique called 'paper simulation' in the analysis of user requirements for interactive computer systems. In a paper simulation, the user solves problems with the aid of a 'computer', as in normal man-in-the-loop simulation. In this procedure, though, the computer does not exist, but is simulated by the experimenters. This allows simulated problem solving early in the design effort, and allows the properties and degree of structure of the system and its dialogue to be varied. The technique, and a method of analyzing the results, are illustrated with examples from a recent paper simulation exercise involving a Space Shuttle flight design task

GM(1,N) method for the prediction of anaerobic digestion system and sensitivity analysis of influential factors.

PubMed

Ren, Jingzheng

2018-01-01

Anaerobic digestion process has been recognized as a promising way for waste treatment and energy recovery in a sustainable way. Modelling of anaerobic digestion system is significantly important for effectively and accurately controlling, adjusting, and predicting the system for higher methane yield. The GM(1,N) approach which does not need the mechanism or a large number of samples was employed to model the anaerobic digestion system to predict methane yield. In order to illustrate the proposed model, an illustrative case about anaerobic digestion of municipal solid waste for methane yield was studied, and the results demonstrate that GM(1,N) model can effectively simulate anaerobic digestion system at the cases of poor information with less computational expense. Copyright © 2017 Elsevier Ltd. All rights reserved.

Stochastic hybrid systems for studying biochemical processes.

PubMed

Singh, Abhyudai; Hespanha, João P

2010-11-13

Many protein and mRNA species occur at low molecular counts within cells, and hence are subject to large stochastic fluctuations in copy numbers over time. Development of computationally tractable frameworks for modelling stochastic fluctuations in population counts is essential to understand how noise at the cellular level affects biological function and phenotype. We show that stochastic hybrid systems (SHSs) provide a convenient framework for modelling the time evolution of population counts of different chemical species involved in a set of biochemical reactions. We illustrate recently developed techniques that allow fast computations of the statistical moments of the population count, without having to run computationally expensive Monte Carlo simulations of the biochemical reactions. Finally, we review different examples from the literature that illustrate the benefits of using SHSs for modelling biochemical processes.

Kinetic control of the coverage of oil droplets by DNA-functionalized colloids

PubMed Central

Joshi, Darshana; Bargteil, Dylan; Caciagli, Alessio; Burelbach, Jerome; Xing, Zhongyang; Nunes, André S.; Pinto, Diogo E. P.; Araújo, Nuno A. M.; Brujic, Jasna; Eiser, Erika

2016-01-01

We report a study of reversible adsorption of DNA-coated colloids on complementary functionalized oil droplets. We show that it is possible to control the surface coverage of oil droplets using colloidal particles by exploiting the fact that, during slow adsorption, compositional arrest takes place well before structural arrest occurs. As a consequence, we can prepare colloid-coated oil droplets with a “frozen” degree of loading but with fully ergodic colloidal dynamics on the droplets. We illustrate the equilibrium nature of the adsorbed colloidal phase by exploring the quasi–two-dimensional phase behavior of the adsorbed colloids under the influence of depletion interactions and present simulations of a simple model that illustrates the nature of the compositional arrest and the structural ergodicity. PMID:27532053

Explicit polarization (X-Pol) potential using ab initio molecular orbital theory and density functional theory.

PubMed

Song, Lingchun; Han, Jaebeom; Lin, Yen-lin; Xie, Wangshen; Gao, Jiali

2009-10-29

The explicit polarization (X-Pol) method has been examined using ab initio molecular orbital theory and density functional theory. The X-Pol potential was designed to provide a novel theoretical framework for developing next-generation force fields for biomolecular simulations. Importantly, the X-Pol potential is a general method, which can be employed with any level of electronic structure theory. The present study illustrates the implementation of the X-Pol method using ab initio Hartree-Fock theory and hybrid density functional theory. The computational results are illustrated by considering a set of bimolecular complexes of small organic molecules and ions with water. The computed interaction energies and hydrogen bond geometries are in good accord with CCSD(T) calculations and B3LYP/aug-cc-pVDZ optimizations.

Insight Center | Computational Science | NREL

Science.gov Websites

effectively convey information and illustrate research findings to stakeholders and visitors. The -turbine array simulations. Observational data span from the nanostructures of biomass pretreatments to the

Model-based functional neuroimaging using dynamic neural fields: An integrative cognitive neuroscience approach

PubMed Central

Wijeakumar, Sobanawartiny; Ambrose, Joseph P.; Spencer, John P.; Curtu, Rodica

2017-01-01

A fundamental challenge in cognitive neuroscience is to develop theoretical frameworks that effectively span the gap between brain and behavior, between neuroscience and psychology. Here, we attempt to bridge this divide by formalizing an integrative cognitive neuroscience approach using dynamic field theory (DFT). We begin by providing an overview of how DFT seeks to understand the neural population dynamics that underlie cognitive processes through previous applications and comparisons to other modeling approaches. We then use previously published behavioral and neural data from a response selection Go/Nogo task as a case study for model simulations. Results from this study served as the ‘standard’ for comparisons with a model-based fMRI approach using dynamic neural fields (DNF). The tutorial explains the rationale and hypotheses involved in the process of creating the DNF architecture and fitting model parameters. Two DNF models, with similar structure and parameter sets, are then compared. Both models effectively simulated reaction times from the task as we varied the number of stimulus-response mappings and the proportion of Go trials. Next, we directly simulated hemodynamic predictions from the neural activation patterns from each model. These predictions were tested using general linear models (GLMs). Results showed that the DNF model that was created by tuning parameters to capture simultaneously trends in neural activation and behavioral data quantitatively outperformed a Standard GLM analysis of the same dataset. Further, by using the GLM results to assign functional roles to particular clusters in the brain, we illustrate how DNF models shed new light on the neural populations’ dynamics within particular brain regions. Thus, the present study illustrates how an interactive cognitive neuroscience model can be used in practice to bridge the gap between brain and behavior. PMID:29118459

Stochastic search in structural optimization - Genetic algorithms and simulated annealing

NASA Technical Reports Server (NTRS)

Hajela, Prabhat

1993-01-01

An account is given of illustrative applications of genetic algorithms and simulated annealing methods in structural optimization. The advantages of such stochastic search methods over traditional mathematical programming strategies are emphasized; it is noted that these methods offer a significantly higher probability of locating the global optimum in a multimodal design space. Both genetic-search and simulated annealing can be effectively used in problems with a mix of continuous, discrete, and integer design variables.

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).

Gemini Rendezvous Docking Simulator

NASA Image and Video Library

1964-05-11

Gemini Rendezvous Docking Simulator suspended from the roof of the Langley Research Center s aircraft hangar. Francis B. Smith wrote: The rendezvous and docking operation of the Gemini spacecraft with the Agena and of the Apollo Command Module with the Lunar Excursion Module have been the subject of simulator studies for several years. This figure illustrates the Gemini-Agena rendezvous docking simulator at Langley. The Gemini spacecraft was supported in a gimbal system by an overhead crane and gantry arrangement which provided 6 degrees of freedom - roll, pitch, yaw, and translation in any direction - all controllable by the astronaut in the spacecraft. Here again the controls fed into a computer which in turn provided an input to the servos driving the spacecraft so that it responded to control motions in a manner which accurately simulated the Gemini spacecraft. -- Published in Barton C. Hacker and James M. Grimwood, On the Shoulders of Titans: A History of Project Gemini, NASA SP-4203 Francis B. Smith, Simulators for Manned Space Research, Paper presented at the 1966 IEEE International convention, March 21-25, 1966.

User interfaces for computational science: A domain specific language for OOMMF embedded in Python

NASA Astrophysics Data System (ADS)

Beg, Marijan; Pepper, Ryan A.; Fangohr, Hans

2017-05-01

Computer simulations are used widely across the engineering and science disciplines, including in the research and development of magnetic devices using computational micromagnetics. In this work, we identify and review different approaches to configuring simulation runs: (i) the re-compilation of source code, (ii) the use of configuration files, (iii) the graphical user interface, and (iv) embedding the simulation specification in an existing programming language to express the computational problem. We identify the advantages and disadvantages of different approaches and discuss their implications on effectiveness and reproducibility of computational studies and results. Following on from this, we design and describe a domain specific language for micromagnetics that is embedded in the Python language, and allows users to define the micromagnetic simulations they want to carry out in a flexible way. We have implemented this micromagnetic simulation description language together with a computational backend that executes the simulation task using the Object Oriented MicroMagnetic Framework (OOMMF). We illustrate the use of this Python interface for OOMMF by solving the micromagnetic standard problem 4. All the code is publicly available and is open source.

A SOFTWARE TOOL TO COMPARE MEASURED AND SIMULATED BUILDING ENERGY PERFORMANCE DATA

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

Maile, Tobias; Bazjanac, Vladimir; O'Donnell, James

2011-11-01

Building energy performance is often inadequate when compared to design goals. To link design goals to actual operation one can compare measured with simulated energy performance data. Our previously developed comparison approach is the Energy Performance Comparison Methodology (EPCM), which enables the identification of performance problems based on a comparison of measured and simulated performance data. In context of this method, we developed a software tool that provides graphing and data processing capabilities of the two performance data sets. The software tool called SEE IT (Stanford Energy Efficiency Information Tool) eliminates the need for manual generation of data plots andmore » data reformatting. SEE IT makes the generation of time series, scatter and carpet plots independent of the source of data (measured or simulated) and provides a valuable tool for comparing measurements with simulation results. SEE IT also allows assigning data points on a predefined building object hierarchy and supports different versions of simulated performance data. This paper briefly introduces the EPCM, describes the SEE IT tool and illustrates its use in the context of a building case study.« less

The Dynamical Behaviors for a Class of Immunogenic Tumor Model with Delay

PubMed Central

Muthoni, Mutei Damaris; Pang, Jianhua

2017-01-01

This paper aims at studying the model proposed by Kuznetsov and Taylor in 1994. Inspired by Mayer et al., time delay is introduced in the general model. The dynamic behaviors of this model are studied, which include the existence and stability of the equilibria and Hopf bifurcation of the model with discrete delays. The properties of the bifurcated periodic solutions are studied by using the normal form on the center manifold. Numerical examples and simulations are given to illustrate the bifurcation analysis and the obtained results. PMID:29312457

Summarizing Simulation Results using Causally-relevant States

PubMed Central

Parikh, Nidhi; Marathe, Madhav; Swarup, Samarth

2016-01-01

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

The (human) science of medical virtual learning environments.

PubMed

Stone, Robert J

2011-01-27

The uptake of virtual simulation technologies in both military and civilian surgical contexts has been both slow and patchy. The failure of the virtual reality community in the 1990s and early 2000s to deliver affordable and accessible training systems stems not only from an obsessive quest to develop the 'ultimate' in so-called 'immersive' hardware solutions, from head-mounted displays to large-scale projection theatres, but also from a comprehensive lack of attention to the needs of the end users. While many still perceive the science of simulation to be defined by technological advances, such as computing power, specialized graphics hardware, advanced interactive controllers, displays and so on, the true science underpinning simulation--the science that helps to guarantee the transfer of skills from the simulated to the real--is that of human factors, a well-established discipline that focuses on the abilities and limitations of the end user when designing interactive systems, as opposed to the more commercially explicit components of technology. Based on three surgical simulation case studies, the importance of a human factors approach to the design of appropriate simulation content and interactive hardware for medical simulation is illustrated. The studies demonstrate that it is unnecessary to pursue real-world fidelity in all instances in order to achieve psychological fidelity--the degree to which the simulated tasks reproduce and foster knowledge, skills and behaviours that can be reliably transferred to real-world training applications.

Illustrating the practice of statistics

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

Hamada, Christina A; Hamada, Michael S

2009-01-01

The practice of statistics involves analyzing data and planning data collection schemes to answer scientific questions. Issues often arise with the data that must be dealt with and can lead to new procedures. In analyzing data, these issues can sometimes be addressed through the statistical models that are developed. Simulation can also be helpful in evaluating a new procedure. Moreover, simulation coupled with optimization can be used to plan a data collection scheme. The practice of statistics as just described is much more than just using a statistical package. In analyzing the data, it involves understanding the scientific problem andmore » incorporating the scientist's knowledge. In modeling the data, it involves understanding how the data were collected and accounting for limitations of the data where possible. Moreover, the modeling is likely to be iterative by considering a series of models and evaluating the fit of these models. Designing a data collection scheme involves understanding the scientist's goal and staying within hislher budget in terms of time and the available resources. Consequently, a practicing statistician is faced with such tasks and requires skills and tools to do them quickly. We have written this article for students to provide a glimpse of the practice of statistics. To illustrate the practice of statistics, we consider a problem motivated by some precipitation data that our relative, Masaru Hamada, collected some years ago. We describe his rain gauge observational study in Section 2. We describe modeling and an initial analysis of the precipitation data in Section 3. In Section 4, we consider alternative analyses that address potential issues with the precipitation data. In Section 5, we consider the impact of incorporating additional infonnation. We design a data collection scheme to illustrate the use of simulation and optimization in Section 6. We conclude this article in Section 7 with a discussion.« less

Chemical Frustration in the Protein Folding Landscape: Grand Canonical Ensemble Simulations of Cytochrome c

PubMed Central

Weinkam, Patrick; Romesberg, Floyd E.; Wolynes, Peter G.

2010-01-01

A grand canonical formalism is developed to combine discrete simulations for chemically distinct species in equilibrium. Each simulation is based on a perturbed funneled landscape. The formalism is illustrated using the alkaline-induced transitions of cytochrome c as observed by FTIR spectroscopy and with various other experimental approaches. The grand canonical simulation method accounts for the acid/base chemistry of deprotonation, the inorganic chemistry of heme ligation and misligation, and the minimally frustrated folding energy landscape, thus elucidating the physics of protein folding involved with an acid/base titration of a protein. The formalism combines simulations for each of the relevant chemical species, varying by protonation and ligation states. In contrast to models based on perfectly funneled energy landscapes that contain only contacts found in the native structure, the current study introduces “chemical frustration” from deprotonation and misligation that gives rise to many intermediates at alkaline pH. While the nature of these intermediates cannot be easily inferred from available experimental data, the current study provides specific structural details of these intermediates thus extending our understanding of how cytochrome c changes with increasing pH. The results demonstrate the importance of chemical frustration for understanding biomolecular energy landscapes. PMID:19199810

Coarse-grained molecular dynamics simulations of polymerization with forward and backward reactions.

PubMed

Krajniak, Jakub; Zhang, Zidan; Pandiyan, Sudharsan; Nies, Eric; Samaey, Giovanni

2018-06-11

We develop novel parallel algorithms that allow molecular dynamics simulations in which byproduct molecules are created and removed because of the chemical reactions during the molecular dynamics simulation. To prevent large increases in the potential energy, we introduce the byproduct molecules smoothly by changing the non-bonded interactions gradually. To simulate complete equilibrium reactions, we allow the byproduct molecules attack and destroy created bonds. Modeling of such reactions are, for instance, important to study the pore formation due to the presence of e.g. water molecules or development of polymer morphology during the process of splitting off byproduct molecules. Another concept that could be studied is the degradation of polymeric materials, a very important topic in a recycling of polymer waste. We illustrate the method by simulating the polymerization of polyethylene terephthalate (PET) at the coarse-grained level as an example of a polycondensation reaction with water as a byproduct. The algorithms are implemented in a publicly available software package and are easily accessible using a domain-specific language that describes chemical reactions in an input configuration file. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

The effects of self-interstitial clusters on cascade defect evolution beyond the primary damage state

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

Heinisch, H.L.

1997-04-01

The intracascade evolution of the defect distributions of cascades in copper is investigated using stochastic annealing simulations applied to cascades generated with molecular dynamics (MD). The temperature and energy dependencies of annihilation, clustering and free defect production are determined for individual cascades. The annealing simulation results illustrate the strong influence on intracascade evolution of the defect configuration existing in the primary damage state. Another factor significantly affecting the evolution of the defect distribution is the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades. This phenomenon introduces a cascade energy dependence of defect evolution that is apparentmore » only beyond the primary damage state, amplifying the need for further study of the annealing phase of cascade evolution and for performing many more MD cascade simulations at higher energies.« less

Molecular Dynamics Studies of Thermal Induced Chemistry in TATB

NASA Astrophysics Data System (ADS)

Quenneville, Jason; Germann, Timothy

2007-06-01

A reactive force field (ReaxFF^2) is used with molecular dynamics to probe the chemistry induced by intense heating (accelerated `cook-off') of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). Large-system simulations are desired for TATB because of the high degree of carbon clustering expected in this material. Using small, 800-atom, simulations, we will show the reaction rate as a function of temperature and density as well as the time evolution of reaction products. A larger simulation (with 14,000 atoms) will illustrate the effect of system size on both carbon clustering and reaction rate. Insight into the mechanisms of product formation will be given, as well as the chemical structure (graphitic or diamond-like) of the carbon clusters obtained. ^2 A. C. T. Van Duin, et al, J. Phys. Chem. A, 1005, 9396 (2001).

Evaporation of tiny water aggregation on solid surfaces with different wetting properties.

PubMed

Wang, Shen; Tu, Yusong; Wan, Rongzheng; Fang, Haiping

2012-11-29

The evaporation of a tiny amount of water on the solid surface with different wettabilities has been studied by molecular dynamics simulations. From nonequilibrium MD simulations, we found that, as the surface changed from hydrophobic to hydrophilic, the evaporation speed did not show a monotonic decrease as intuitively expected, but increased first, and then decreased after it reached a maximum value. The analysis of the simulation trajectory and calculation of the surface water interaction illustrate that the competition between the number of water molecules on the water-gas surface from where the water molecules can evaporate and the potential barrier to prevent those water molecules from evaporating results in the unexpected behavior of the evaporation. This finding is helpful in understanding the evaporation on biological surfaces, designing artificial surfaces of ultrafast water evaporating, or preserving water in soil.

Evaluation of automated decisionmaking methodologies and development of an integrated robotic system simulation. Appendix A: ROBSIM user's guide

NASA Technical Reports Server (NTRS)

Haley, D. C.; Almand, B. J.; Thomas, M. M.; Krauze, L. D.; Gremban, K. D.; Sanborn, J. C.; Kelley, J. H.; Depkovich, T. M.; Wolfe, W. J.; Nguyen, T.

1986-01-01

The purpose of the Robotics Simulation Program is to provide a broad range of computer capabilities to assist in the design, verification, simulation, and study of robotics systems. ROBSIM is program in FORTRAN 77 for use on a VAX 11/750 computer under the VMS operating system. This user's guide describes the capabilities of the ROBSIM programs, including the system definition function, the analysis tools function and the postprocessor function. The options a user may encounter with each of these executables are explained in detail and the different program prompts appearing to the user are included. Some useful suggestions concerning the appropriate answers to be given by the user are provided. An example user interactive run in enclosed for each of the main program services, and some of the capabilities are illustrated.

Clocked Magnetostriction-Assisted Spintronic Device Design and Simulation

NASA Astrophysics Data System (ADS)

Mousavi Iraei, Rouhollah; Kani, Nickvash; Dutta, Sourav; Nikonov, Dmitri E.; Manipatruni, Sasikanth; Young, Ian A.; Heron, John T.; Naeemi, Azad

2018-05-01

We propose a heterostructure device comprised of magnets and piezoelectrics that significantly improves the delay and the energy dissipation of an all-spin logic (ASL) device. This paper studies and models the physics of the device, illustrates its operation, and benchmarks its performance using SPICE simulations. We show that the proposed device maintains low voltage operation, non-reciprocity, non-volatility, cascadability, and thermal reliability of the original ASL device. Moreover, by utilizing the deterministic switching of a magnet from the saddle point of the energy profile, the device is more efficient in terms of energy and delay and is robust to thermal fluctuations. The results of simulations show that compared to ASL devices, the proposed device achieves 21x shorter delay and 27x lower energy dissipation per bit for a 32-bit arithmetic-logic unit (ALU).

Influence of microscale heterogeneity and microstructure on the tensile behavior of crystalline rocks

NASA Astrophysics Data System (ADS)

Mahabadi, O. K.; Tatone, B. S. A.; Grasselli, G.

2014-07-01

This study investigates the influence of microscale heterogeneity and microcracks on the failure behavior and mechanical response of a crystalline rock. The thin section analysis for obtaining the microcrack density is presented. Using micro X-ray computed tomography (μCT) scanning of failed laboratory specimens, the influence of heterogeneity and, in particular, biotite grains on the brittle fracture of the specimens is discussed and various failure patterns are characterized. Three groups of numerical simulations are presented, which demonstrate the role of microcracks and the influence of μCT-based and stochastically generated phase distributions. The mechanical response, stress distribution, and fracturing process obtained by the numerical simulations are also discussed. The simulation results illustrate that heterogeneity and microcracks should be considered to accurately predict the tensile strength and failure behavior of the sample.

Statistical approaches to account for false-positive errors in environmental DNA samples.

PubMed

Lahoz-Monfort, José J; Guillera-Arroita, Gurutzeta; Tingley, Reid

2016-05-01

Environmental DNA (eDNA) sampling is prone to both false-positive and false-negative errors. We review statistical methods to account for such errors in the analysis of eDNA data and use simulations to compare the performance of different modelling approaches. Our simulations illustrate that even low false-positive rates can produce biased estimates of occupancy and detectability. We further show that removing or classifying single PCR detections in an ad hoc manner under the suspicion that such records represent false positives, as sometimes advocated in the eDNA literature, also results in biased estimation of occupancy, detectability and false-positive rates. We advocate alternative approaches to account for false-positive errors that rely on prior information, or the collection of ancillary detection data at a subset of sites using a sampling method that is not prone to false-positive errors. We illustrate the advantages of these approaches over ad hoc classifications of detections and provide practical advice and code for fitting these models in maximum likelihood and Bayesian frameworks. Given the severe bias induced by false-negative and false-positive errors, the methods presented here should be more routinely adopted in eDNA studies. © 2015 John Wiley & Sons Ltd.

Theoretical Prediction of the Forming Limit Band

NASA Astrophysics Data System (ADS)

Banabic, D.; Vos, M.; Paraianu, L.; Jurco, P.

2007-04-01

Forming Limit Band (FLB) is a very useful tool to improve the sheet metal forming simulation robustness. Until now, the study of the FLB was only experimental. This paper presents the first attempt to model the FLB. The authors have established an original method for predicting the two margins of the limit band. The method was illustrated on the AA6111-T43 aluminum alloy. A good agreement with the experiments has been obtained.

MioLab, a rat cardiac contractile force simulator: Applications to teaching cardiac cell physiology and biophysics.

PubMed

da Silva, Robson Rodrigues; Bissaco, Marcia Aparecida Silva; Goroso, Daniel Gustavo

2015-12-01

Understanding the basic concepts of physiology and biophysics of cardiac cells can be improved by virtual experiments that illustrate the complex excitation-contraction coupling process in cardiac cells. The aim of this study is to propose a rat cardiac myocyte simulator, with which calcium dynamics in excitation-contraction coupling of an isolated cell can be observed. This model has been used in the course "Mathematical Modeling and Simulation of Biological Systems". In this paper we present the didactic utility of the simulator MioLab(®). The simulator enables virtual experiments that can help studying inhibitors and activators in the sarcoplasmic reticulum sodium-calcium exchanger, thus corroborating a better understanding of the effects of medications, which are used to treat arrhythmias, on these compartments. The graphical interfaces were developed not only to facilitate the use of the simulator, but also to promote a constructive learning on the subject, since there are animations and videos for each stage of the simulation. The effectiveness of the simulator was tested by a group of graduate students. Some examples of simulations were presented in order to describe the overall structure of the simulator. Part of these virtual experiments became an activity for Biomedical Engineering graduate students, who evaluated the simulator based on its didactic quality. As a result, students answered a questionnaire on the usability and functionality of the simulator as a teaching tool. All students performed the proposed activities and classified the simulator as an optimal or good learning tool. In their written questions, students indicated as negative characteristics some problems with visualizing graphs; as positive characteristics, they indicated the simulator's didactic function, especially tutorials and videos on the topic of this study. The results show that the simulator complements the study of the physiology and biophysics of the cardiac cell. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

User's manual for a computer program for simulating intensively managed allowable cut.

Treesearch

Robert W. Sassaman; Ed Holt; Karl Bergsvik

1972-01-01

Detailed operating instructions are described for SIMAC, a computerized forest simulation model which calculates the allowable cut assuming volume regulation for forests with intensively managed stands. A sample problem illustrates the required inputs and expected output. SIMAC is written in FORTRAN IV and runs on a CDC 6400 computer with a SCOPE 3.3 operating system....

Bayesian model reduction and empirical Bayes for group (DCM) studies

PubMed Central

Friston, Karl J.; Litvak, Vladimir; Oswal, Ashwini; Razi, Adeel; Stephan, Klaas E.; van Wijk, Bernadette C.M.; Ziegler, Gabriel; Zeidman, Peter

2016-01-01

This technical note describes some Bayesian procedures for the analysis of group studies that use nonlinear models at the first (within-subject) level – e.g., dynamic causal models – and linear models at subsequent (between-subject) levels. Its focus is on using Bayesian model reduction to finesse the inversion of multiple models of a single dataset or a single (hierarchical or empirical Bayes) model of multiple datasets. These applications of Bayesian model reduction allow one to consider parametric random effects and make inferences about group effects very efficiently (in a few seconds). We provide the relatively straightforward theoretical background to these procedures and illustrate their application using a worked example. This example uses a simulated mismatch negativity study of schizophrenia. We illustrate the robustness of Bayesian model reduction to violations of the (commonly used) Laplace assumption in dynamic causal modelling and show how its recursive application can facilitate both classical and Bayesian inference about group differences. Finally, we consider the application of these empirical Bayesian procedures to classification and prediction. PMID:26569570

Action understanding and active inference

PubMed Central

Mattout, Jérémie; Kilner, James

2012-01-01

We have suggested that the mirror-neuron system might be usefully understood as implementing Bayes-optimal perception of actions emitted by oneself or others. To substantiate this claim, we present neuronal simulations that show the same representations can prescribe motor behavior and encode motor intentions during action–observation. These simulations are based on the free-energy formulation of active inference, which is formally related to predictive coding. In this scheme, (generalised) states of the world are represented as trajectories. When these states include motor trajectories they implicitly entail intentions (future motor states). Optimizing the representation of these intentions enables predictive coding in a prospective sense. Crucially, the same generative models used to make predictions can be deployed to predict the actions of self or others by simply changing the bias or precision (i.e. attention) afforded to proprioceptive signals. We illustrate these points using simulations of handwriting to illustrate neuronally plausible generation and recognition of itinerant (wandering) motor trajectories. We then use the same simulations to produce synthetic electrophysiological responses to violations of intentional expectations. Our results affirm that a Bayes-optimal approach provides a principled framework, which accommodates current thinking about the mirror-neuron system. Furthermore, it endorses the general formulation of action as active inference. PMID:21327826

Computational effects of inlet representation on powered hypersonic, airbreathing models

NASA Technical Reports Server (NTRS)

Huebner, Lawrence D.; Tatum, Kenneth E.

1993-01-01

Computational results are presented to illustrate the powered aftbody effects of representing the scramjet inlet on a generic hypersonic vehicle with a fairing, to divert the external flow, as compared to an operating flow-through scramjet inlet. This study is pertinent to the ground testing of hypersonic, airbreathing models employing scramjet exhaust flow simulation in typical small-scale hypersonic wind tunnels. The comparison of aftbody effects due to inlet representation is well-suited for computational study, since small model size typically precludes the ability to ingest flow into the inlet and perform exhaust simulation at the same time. Two-dimensional analysis indicates that, although flowfield differences exist for the two types of inlet representations, little, if any, difference in surface aftbody characteristics is caused by fairing over the inlet.

Case studies in configuration control for redundant robots

NASA Technical Reports Server (NTRS)

Seraji, H.; Lee, T.; Colbaugh, R.; Glass, K.

1989-01-01

A simple approach to configuration control of redundant robots is presented. The redundancy is utilized to control the robot configuration directly in task space, where the task will be performed. A number of task-related kinematic functions are defined and combined with the end-effector coordinates to form a set of configuration variables. An adaptive control scheme is then utilized to ensure that the configuration variables track the desired reference trajectories as closely as possible. Simulation results are presented to illustrate the control scheme. The scheme has also been implemented for direct online control of a PUMA industrial robot, and experimental results are presented. The simulation and experimental results validate the configuration control scheme for performing various realistic tasks.

Data Mining and Complex Problems: Case Study in Composite Materials

NASA Technical Reports Server (NTRS)

Rabelo, Luis; Marin, Mario

2009-01-01

Data mining is defined as the discovery of useful, possibly unexpected, patterns and relationships in data using statistical and non-statistical techniques in order to develop schemes for decision and policy making. Data mining can be used to discover the sources and causes of problems in complex systems. In addition, data mining can support simulation strategies by finding the different constants and parameters to be used in the development of simulation models. This paper introduces a framework for data mining and its application to complex problems. To further explain some of the concepts outlined in this paper, the potential application to the NASA Shuttle Reinforced Carbon-Carbon structures and genetic programming is used as an illustration.

A Monte Carlo (N,V,T) study of the stability of charged interfaces: A simulation on a hypersphere

NASA Astrophysics Data System (ADS)

Delville, A.; Pellenq, R. J.-M.; Caillol, J. M.

1997-05-01

We have used an exact expression of the Coulombic interactions derived on a hypersphere of an Euclidian space of dimension four to determine the swelling behavior of two infinite charged plates neutralized by exchangeable counterions. Monte Carlo simulations in the (N,V,T) ensemble allows for a derivation of short-ranged hard core repulsions and long-ranged electrostatic forces, which are the two components of the interionic forces in the context of the primitive model. Comparison with numerical results obtained by a classical Euclidian method illustrates the efficiency of the hyperspherical approach, especially at strong coupling between the charged particles, i.e., for divalent counterions and small plate separation.

Three-dimensional modelling of trace species in the Arctic lower stratosphere

NASA Technical Reports Server (NTRS)

Chipperfield, Martyn; Cariolle, Daniel; Simon, Pascal; Ramaroson, Richard

1994-01-01

A three-dimensional radiative-dynamical-chemical model has been developed and used to study some aspects of modeling the polar lower stratosphere. The model includes a comprehensive gas-phase chemistry scheme as well as a treatment of heterogeneous reactions occurring on the surface of polar stratospheric clouds. Tracer transport is treated by an accurate, nondispersive scheme with little diffusion suited to the representation of strong gradients. Results from a model simulation of early February 1990 are presented and used to illustrate the importance of the model transport scheme. The model simulation is also used to examine the potential for Arctic ozone destruction and the relative contributions of the chemical cycles responsible.

Data Processing for Atmospheric Phase Interferometers

NASA Technical Reports Server (NTRS)

Acosta, Roberto J.; Nessel, James A.; Morabito, David D.

2009-01-01

This paper presents a detailed discussion of calibration procedures used to analyze data recorded from a two-element atmospheric phase interferometer (API) deployed at Goldstone, California. In addition, we describe the data products derived from those measurements that can be used for site intercomparison and atmospheric modeling. Simulated data is used to demonstrate the effectiveness of the proposed algorithm and as a means for validating our procedure. A study of the effect of block size filtering is presented to justify our process for isolating atmospheric fluctuation phenomena from other system-induced effects (e.g., satellite motion, thermal drift). A simulated 24 hr interferometer phase data time series is analyzed to illustrate the step-by-step calibration procedure and desired data products.

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.

Reconstructing gravitational wave source parameters via direct comparisons to numerical relativity II: Applications

NASA Astrophysics Data System (ADS)

O'Shaughnessy, Richard; Lange, Jacob; Healy, James; Carlos, Lousto; Shoemaker, Deirdre; Lovelace, Geoffrey; Scheel, Mark

2016-03-01

In this talk, we apply a procedure to reconstruct the parameters of sufficiently massive coalescing compact binaries via direct comparison with numerical relativity simulations. We illustrate how to use only comparisons between synthetic data and these simulations to reconstruct properties of a synthetic candidate source. We demonstrate using selected examples that we can reconstruct posterior distributions obtained by other Bayesian methods with our sparse grid. We describe how followup simulations can corroborate and improve our understanding of a candidate signal.

Bayesian non-parametric inference for stochastic epidemic models using Gaussian Processes.

PubMed

Xu, Xiaoguang; Kypraios, Theodore; O'Neill, Philip D

2016-10-01

This paper considers novel Bayesian non-parametric methods for stochastic epidemic models. Many standard modeling and data analysis methods use underlying assumptions (e.g. concerning the rate at which new cases of disease will occur) which are rarely challenged or tested in practice. To relax these assumptions, we develop a Bayesian non-parametric approach using Gaussian Processes, specifically to estimate the infection process. The methods are illustrated with both simulated and real data sets, the former illustrating that the methods can recover the true infection process quite well in practice, and the latter illustrating that the methods can be successfully applied in different settings. © The Author 2016. Published by Oxford University Press.

Simulating complex intracellular processes using object-oriented computational modelling.

PubMed

Johnson, Colin G; Goldman, Jacki P; Gullick, William J

2004-11-01

The aim of this paper is to give an overview of computer modelling and simulation in cellular biology, in particular as applied to complex biochemical processes within the cell. This is illustrated by the use of the techniques of object-oriented modelling, where the computer is used to construct abstractions of objects in the domain being modelled, and these objects then interact within the computer to simulate the system and allow emergent properties to be observed. The paper also discusses the role of computer simulation in understanding complexity in biological systems, and the kinds of information which can be obtained about biology via simulation.

On simulation of local fluxes in molecular junctions

NASA Astrophysics Data System (ADS)

Cabra, Gabriel; Jensen, Anders; Galperin, Michael

2018-05-01

We present a pedagogical review of the current density simulation in molecular junction models indicating its advantages and deficiencies in analysis of local junction transport characteristics. In particular, we argue that current density is a universal tool which provides more information than traditionally simulated bond currents, especially when discussing inelastic processes. However, current density simulations are sensitive to the choice of basis and electronic structure method. We note that while discussing the local current conservation in junctions, one has to account for the source term caused by the open character of the system and intra-molecular interactions. Our considerations are illustrated with numerical simulations of a benzenedithiol molecular junction.

Conceptual Model Scenarios for the Vapor Intrusion Pathway

EPA Pesticide Factsheets

This report provides simplified simulation examples to illustrate graphically how subsurface conditions and building-specific characteristics determine the distribution chemical distribution and indoor air concentration relative to a source concentration.

Generation of Complex Karstic Conduit Networks with a Hydro-chemical Model

NASA Astrophysics Data System (ADS)

De Rooij, R.; Graham, W. D.

2016-12-01

The discrete-continuum approach is very well suited to simulate flow and solute transport within karst aquifers. Using this approach, discrete one-dimensional conduits are embedded within a three-dimensional continuum representative of the porous limestone matrix. Typically, however, little is known about the geometry of the karstic conduit network. As such the discrete-continuum approach is rarely used for practical applications. It may be argued, however, that the uncertainty associated with the geometry of the network could be handled by modeling an ensemble of possible karst conduit networks within a stochastic framework. We propose to generate stochastically realistic karst conduit networks by simulating the widening of conduits as caused by the dissolution of limestone over geological relevant timescales. We illustrate that advanced numerical techniques permit to solve the non-linear and coupled hydro-chemical processes efficiently, such that relatively large and complex networks can be generated in acceptable time frames. Instead of specifying flow boundary conditions on conduit cells to recharge the network as is typically done in classical speleogenesis models, we specify an effective rainfall rate over the land surface and let model physics determine the amount of water entering the network. This is advantageous since the amount of water entering the network is extremely difficult to reconstruct, whereas the effective rainfall rate may be quantified using paleoclimatic data. Furthermore, we show that poorly known flow conditions may be constrained by requiring a realistic flow field. Using our speleogenesis model we have investigated factors that influence the geometry of simulated conduit networks. We illustrate that our model generates typical branchwork, network and anastomotic conduit systems. Flow, solute transport and water ages in karst aquifers are simulated using a few illustrative networks.

MACHETE: Environment for Space Networking Evaluation

NASA Technical Reports Server (NTRS)

Jennings, Esther H.; Segui, John S.; Woo, Simon

2010-01-01

Space Exploration missions requires the design and implementation of space networking that differs from terrestrial networks. In a space networking architecture, interplanetary communication protocols need to be designed, validated and evaluated carefully to support different mission requirements. As actual systems are expensive to build, it is essential to have a low cost method to validate and verify mission/system designs and operations. This can be accomplished through simulation. Simulation can aid design decisions where alternative solutions are being considered, support trade-studies and enable fast study of what-if scenarios. It can be used to identify risks, verify system performance against requirements, and as an initial test environment as one moves towards emulation and actual hardware implementation of the systems. We describe the development of Multi-mission Advanced Communications Hybrid Environment for Test and Evaluation (MACHETE) and its use cases in supporting architecture trade studies, protocol performance and its role in hybrid simulation/emulation. The MACHETE environment contains various tools and interfaces such that users may select the set of tools tailored for the specific simulation end goal. The use cases illustrate tool combinations for simulating space networking in different mission scenarios. This simulation environment is useful in supporting space networking design for planned and future missions as well as evaluating performance of existing networks where non-determinism exist in data traffic and/or link conditions.

[The interactive neuroanatomical simulation and practical application of frontotemporal transsylvian exposure in neurosurgery].

PubMed

Balogh, Attila; Czigléczki, Gábor; Papal, Zsolt; Preul, Mark C; Banczerowski, Péter

2014-11-30

There is an increased need for new digital education tools in neurosurgical training. Illustrated textbooks offer anatomic and technical reference but do not substitute hands-on experience provided by surgery or cadaver dissection. Due to limited availability of cadaver dissections the need for development of simulation tools has been augmented. We explored simulation technology for producing virtual reality-like reconstructions of simulated surgical approaches on cadaver. Practical application of the simulation tool has been presented through frontotemporal transsylvian exposure. The dissections were performed on two cadaveric heads. Arteries and veins were prepared and injected with colorful silicon rubber. The heads were rigidly fixed in Mayfield headholder. A robotic microscope with two digital cameras in inverted cone method of image acquisition was used to capture images around a pivot point in several phases of dissections. Multilayered, high-resolution images have been built into interactive 4D environment by custom developed software. We have developed the simulation module of the frontotemporal transsylvian approach. The virtual specimens can be rotated or tilted to any selected angles and examined from different surgical perspectives at any stage of dissections. Important surgical issues such as appropriate head positioning or surgical maneuvers to expose deep situated neuroanatomic structures can be simulated and studied by using the module. The simulation module of the frontotemporal transsylvian exposure helps to examine effect of head positioning on the visibility of deep situated neuroanatomic structures and study surgical maneuvers required to achieve optimal exposure of deep situated anatomic structures. The simulation program is a powerful tool to study issues of preoperative planning and well suited for neurosurgical training.

Convection links biomass burning to increased tropical ozone: However, models will tend to overpredict O3

NASA Astrophysics Data System (ADS)

Chatfield, Robert B.; Delany, Anthony C.

1990-10-01

Biomass burning throughout the inhabited portions of the tropics generates precursors which lead to significant local atmospheric ozone pollution. Several simulations show how this smog could be only an easily observed, local manifestation of a much broader increase in tropospheric ozone. We illustrate basic processes with a one-dimensional time-dependent model that is closer to true meteorological motions than commonly used eddy diffusion models. Its application to a representative region of South America gives reasonable simulations of the local pollutants measured there. Three illustrative simulations indicate the importance of dilution, principally due to vertical transport, in increasing the efficiency of ozone production, possibly enough for high ozone to be apparent on a very large, intercontinental scale. In the first, cook-then-mix, simulation the nitrogen oxides and other burning-produced pollutants are confined to a persistently subsident fair weather boundary layer for several days, and the resultant ozone is found to have only a transient influence on the whole column of tropospheric ozone. In the second, mix-then-cook, simulation the effect of typical cumulonimbus convection, which vents an actively polluted boundary layer, is to make a persistent increase in the tropical ozone column. Such a broadly increased ozone column is observed over the the populated "continental" portion of the tropics. A third simulation averages all emission, transport, and deposition parameters, representing one column in a global tropospheric model that does not simulate individual weather events. This "oversmoothing" simulation produces 60% more ozone than observed or otherwise modeled. Qualitatively similar overprediction is suggested for all models which average significantly in time or space, as all need do. Clearly, simulating these O3 levels will depend sensitively on knowledge of the timing of emissions and transport.

Practical Unitary Simulator for Non-Markovian Complex Processes

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

Simulation methods to estimate design power: an overview for applied research.

PubMed

Arnold, Benjamin F; Hogan, Daniel R; Colford, John M; Hubbard, Alan E

2011-06-20

Estimating the required sample size and statistical power for a study is an integral part of study design. For standard designs, power equations provide an efficient solution to the problem, but they are unavailable for many complex study designs that arise in practice. For such complex study designs, computer simulation is a useful alternative for estimating study power. Although this approach is well known among statisticians, in our experience many epidemiologists and social scientists are unfamiliar with the technique. This article aims to address this knowledge gap. We review an approach to estimate study power for individual- or cluster-randomized designs using computer simulation. This flexible approach arises naturally from the model used to derive conventional power equations, but extends those methods to accommodate arbitrarily complex designs. The method is universally applicable to a broad range of designs and outcomes, and we present the material in a way that is approachable for quantitative, applied researchers. We illustrate the method using two examples (one simple, one complex) based on sanitation and nutritional interventions to improve child growth. We first show how simulation reproduces conventional power estimates for simple randomized designs over a broad range of sample scenarios to familiarize the reader with the approach. We then demonstrate how to extend the simulation approach to more complex designs. Finally, we discuss extensions to the examples in the article, and provide computer code to efficiently run the example simulations in both R and Stata. Simulation methods offer a flexible option to estimate statistical power for standard and non-traditional study designs and parameters of interest. The approach we have described is universally applicable for evaluating study designs used in epidemiologic and social science research.

Simulation methods to estimate design power: an overview for applied research

PubMed Central

2011-01-01

Background Estimating the required sample size and statistical power for a study is an integral part of study design. For standard designs, power equations provide an efficient solution to the problem, but they are unavailable for many complex study designs that arise in practice. For such complex study designs, computer simulation is a useful alternative for estimating study power. Although this approach is well known among statisticians, in our experience many epidemiologists and social scientists are unfamiliar with the technique. This article aims to address this knowledge gap. Methods We review an approach to estimate study power for individual- or cluster-randomized designs using computer simulation. This flexible approach arises naturally from the model used to derive conventional power equations, but extends those methods to accommodate arbitrarily complex designs. The method is universally applicable to a broad range of designs and outcomes, and we present the material in a way that is approachable for quantitative, applied researchers. We illustrate the method using two examples (one simple, one complex) based on sanitation and nutritional interventions to improve child growth. Results We first show how simulation reproduces conventional power estimates for simple randomized designs over a broad range of sample scenarios to familiarize the reader with the approach. We then demonstrate how to extend the simulation approach to more complex designs. Finally, we discuss extensions to the examples in the article, and provide computer code to efficiently run the example simulations in both R and Stata. Conclusions Simulation methods offer a flexible option to estimate statistical power for standard and non-traditional study designs and parameters of interest. The approach we have described is universally applicable for evaluating study designs used in epidemiologic and social science research. PMID:21689447

Ground-to-Flight Handling Qualities Comparisons for a High Performance Airplane

NASA Technical Reports Server (NTRS)

Brandon, Jay M.; Glaab, Louis J.; Brown, Philip W.; Phillips, Michael R.

1995-01-01

A flight test program was conducted in conjunction with a ground-based piloted simulation study to enable a comparison of handling qualities ratings for a variety of maneuvers between flight and simulation of a modern high performance airplane. Specific objectives included an evaluation of pilot-induced oscillation (PIO) tendencies and a determination of maneuver types which result in either good or poor ground-to-flight pilot handling qualities ratings. A General Dynamics F-16XL aircraft was used for the flight evaluations, and the NASA Langley Differential Maneuvering Simulator was employed for the ground based evaluations. Two NASA research pilots evaluated both the airplane and simulator characteristics using tasks developed in the simulator. Simulator and flight tests were all conducted within approximately a one month time frame. Maneuvers included numerous fine tracking evaluations at various angles of attack, load factors and speed ranges, gross acquisitions involving longitudinal and lateral maneuvering, roll angle captures, and an ILS task with a sidestep to landing. Overall results showed generally good correlation between ground and flight for PIO tendencies and general handling qualities comments. Differences in pilot technique used in simulator evaluations and effects of airplane accelerations and motions are illustrated.

Simulation Speed Analysis and Improvements of Modelica Models for Building Energy Simulation

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

Jorissen, Filip; Wetter, Michael; Helsen, Lieve

This paper presents an approach for speeding up Modelica models. Insight is provided into how Modelica models are solved and what determines the tool’s computational speed. Aspects such as algebraic loops, code efficiency and integrator choice are discussed. This is illustrated using simple building simulation examples and Dymola. The generality of the work is in some cases verified using OpenModelica. Using this approach, a medium sized office building including building envelope, heating ventilation and air conditioning (HVAC) systems and control strategy can be simulated at a speed five hundred times faster than real time.

Comment on ``Numerics of the lattice Boltzmann method: Effects of collision models on the lattice Boltzmann simulations''

NASA Astrophysics Data System (ADS)

Karlin, I. V.; Succi, S.; Chikatamarla, S. S.

2011-12-01

Critical comments on the entropic lattice Boltzmann equation (ELBE), by Li-Shi Luo, Wei Liao, Xingwang Chen, Yan Peng, and Wei Zhang in Ref. , are based on simulations, which make use of a model that, despite being referred to as the ELBE by the authors, is in fact equivalent to the standard lattice Bhatnagar-Gross-Krook equation for low Mach number simulations. In this Comment, a concise review of the ELBE is provided and illustrated by means of a three-dimensional turbulent flow simulation, which highlights the subgrid features of the ELBE.

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.

The effect of different solar simulators on the measurement of short-circuit current temperature coefficients

NASA Technical Reports Server (NTRS)

Curtis, H. B.; Hart, R. E., Jr.

1982-01-01

Gallium arsenide solar cells are considered for several high temperature missions in space. Both near-Sun and concentrator missions could involve cell temperatures on the order of 200 C. Performance measurements of cells at elevated temperatures are usually made using simulated sunlight and a matched reference cell. Due to the change in bandgap with increasing temperature at portions of the spectrum where considerable simulated irradiance is present, there are significant differences in measured short circuit current at elevated temperatures among different simulators. To illustrate this, both experimental and theoretical data are presented for gallium arsenide cells.

Simulating and Synthesizing Substructures Using Neural Network and Genetic Algorithms

NASA Technical Reports Server (NTRS)

Liu, Youhua; Kapania, Rakesh K.; VanLandingham, Hugh F.

1997-01-01

The feasibility of simulating and synthesizing substructures by computational neural network models is illustrated by investigating a statically indeterminate beam, using both a 1-D and a 2-D plane stress modelling. The beam can be decomposed into two cantilevers with free-end loads. By training neural networks to simulate the cantilever responses to different loads, the original beam problem can be solved as a match-up between two subsystems under compatible interface conditions. The genetic algorithms are successfully used to solve the match-up problem. Simulated results are found in good agreement with the analytical or FEM solutions.

Analysis of covariance as a remedy for demographic mismatch of research subject groups: some sobering simulations.

PubMed

Adams, K M; Brown, G G; Grant, I

1985-08-01

Analysis of Covariance (ANCOVA) is often used in neuropsychological studies to effect ex-post-facto adjustment of performance variables amongst groups of subjects mismatched on some relevant demographic variable. This paper reviews some of the statistical assumptions underlying this usage. In an attempt to illustrate the complexities of this statistical technique, three sham studies using actual patient data are presented. These staged simulations have varying relationships between group test performance differences and levels of covariate discrepancy. The results were robust and consistent in their nature, and were held to support the wisdom of previous cautions by statisticians concerning the employment of ANCOVA to justify comparisons between incomparable groups. ANCOVA should not be used in neuropsychological research to equate groups unequal on variables such as age and education or to exert statistical control whose objective is to eliminate consideration of the covariate as an explanation for results. Finally, the report advocates by example the use of simulation to further our understanding of neuropsychological variables.

Coarse-grained computation for particle coagulation and sintering processes by linking Quadrature Method of Moments with Monte-Carlo

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

Zou Yu, E-mail: yzou@Princeton.ED; Kavousanakis, Michail E., E-mail: mkavousa@Princeton.ED; Kevrekidis, Ioannis G., E-mail: yannis@Princeton.ED

2010-07-20

The study of particle coagulation and sintering processes is important in a variety of research studies ranging from cell fusion and dust motion to aerosol formation applications. These processes are traditionally simulated using either Monte-Carlo methods or integro-differential equations for particle number density functions. In this paper, we present a computational technique for cases where we believe that accurate closed evolution equations for a finite number of moments of the density function exist in principle, but are not explicitly available. The so-called equation-free computational framework is then employed to numerically obtain the solution of these unavailable closed moment equations bymore » exploiting (through intelligent design of computational experiments) the corresponding fine-scale (here, Monte-Carlo) simulation. We illustrate the use of this method by accelerating the computation of evolving moments of uni- and bivariate particle coagulation and sintering through short simulation bursts of a constant-number Monte-Carlo scheme.« less

Extended Phase-Space Methods for Enhanced Sampling in Molecular Simulations: A Review.

PubMed

Fujisaki, Hiroshi; Moritsugu, Kei; Matsunaga, Yasuhiro; Morishita, Tetsuya; Maragliano, Luca

2015-01-01

Molecular Dynamics simulations are a powerful approach to study biomolecular conformational changes or protein-ligand, protein-protein, and protein-DNA/RNA interactions. Straightforward applications, however, are often hampered by incomplete sampling, since in a typical simulated trajectory the system will spend most of its time trapped by high energy barriers in restricted regions of the configuration space. Over the years, several techniques have been designed to overcome this problem and enhance space sampling. Here, we review a class of methods that rely on the idea of extending the set of dynamical variables of the system by adding extra ones associated to functions describing the process under study. In particular, we illustrate the Temperature Accelerated Molecular Dynamics (TAMD), Logarithmic Mean Force Dynamics (LogMFD), and Multiscale Enhanced Sampling (MSES) algorithms. We also discuss combinations with techniques for searching reaction paths. We show the advantages presented by this approach and how it allows to quickly sample important regions of the free-energy landscape via automatic exploration.

DEM GPU studies of industrial scale particle simulations for granular flow civil engineering applications

NASA Astrophysics Data System (ADS)

Pizette, Patrick; Govender, Nicolin; Wilke, Daniel N.; Abriak, Nor-Edine

2017-06-01

The use of the Discrete Element Method (DEM) for industrial civil engineering industrial applications is currently limited due to the computational demands when large numbers of particles are considered. The graphics processing unit (GPU) with its highly parallelized hardware architecture shows potential to enable solution of civil engineering problems using discrete granular approaches. We demonstrate in this study the pratical utility of a validated GPU-enabled DEM modeling environment to simulate industrial scale granular problems. As illustration, the flow discharge of storage silos using 8 and 17 million particles is considered. DEM simulations have been performed to investigate the influence of particle size (equivalent size for the 20/40-mesh gravel) and induced shear stress for two hopper shapes. The preliminary results indicate that the shape of the hopper significantly influences the discharge rates for the same material. Specifically, this work shows that GPU-enabled DEM modeling environments can model industrial scale problems on a single portable computer within a day for 30 seconds of process time.

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

Study on the E-commerce platform based on the agent

NASA Astrophysics Data System (ADS)

Fu, Ruixue; Qin, Lishuan; Gao, Yinmin

2011-10-01

To solve problem of dynamic integration in e-commerce, the Multi-Agent architecture of electronic commerce platform system based on Agent and Ontology has been introduced, which includes three major types of agent, Ontology and rule collection. In this architecture, service agent and rule are used to realize the business process reengineering, the reuse of software component, and agility of the electronic commerce platform. To illustrate the architecture, a simulation work has been done and the results imply that the architecture provides a very efficient method to design and implement the flexible, distributed, open and intelligent electronic commerce platform system to solve problem of dynamic integration in ecommerce. The objective of this paper is to illustrate the architecture of electronic commerce platform system, and the approach how Agent and Ontology support the electronic commerce platform system.

WE-FG-BRA-06: Systematic Study of Target Localization for Bioluminescence Tomography Guided Radiation Therapy for Preclinical Research

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

Zhang, B; Reyes, J; Wong, J

Purpose: To overcome the limitation of CT/CBCT in guiding radiation for soft tissue targets, we developed a bioluminescence tomography(BLT) system for preclinical radiation research. We systematically assessed the system performance in target localization and the ability of resolving two sources in simulations, phantom and in vivo environments. Methods: Multispectral images acquired in single projection were used for the BLT reconstruction. Simulation studies were conducted for single spherical source radius from 0.5 to 3 mm at depth of 3 to 12 mm. The same configuration was also applied for the double sources simulation with source separations varying from 3 to 9more » mm. Experiments were performed in a standalone BLT/CBCT system. Two sources with 3 and 4.7 mm separations placed inside a tissue-mimicking phantom were chosen as the test cases. Live mice implanted with single source at 6 and 9 mm depth, 2 sources with 3 and 5 mm separation at depth of 5 mm or 3 sources in the abdomen were also used to illustrate the in vivo localization capability of the BLT system. Results: Simulation and phantom results illustrate that our BLT can provide 3D source localization with approximately 1 mm accuracy. The in vivo results are encouraging that 1 and 1.7 mm accuracy can be attained for the single source case at 6 and 9 mm depth, respectively. For the 2 sources study, both sources can be distinguished at 3 and 5 mm separations at approximately 1 mm accuracy using 3D BLT but not 2D bioluminescence image. Conclusion: Our BLT/CBCT system can be potentially applied to localize and resolve targets at a wide range of target sizes, depths and separations. The information provided in this study can be instructive to devise margins for BLT-guided irradiation and suggests that the BLT could guide radiation for multiple targets, such as metastasis. Drs. John W. Wong and Iulian I. Iordachita receive royalty payment from a licensing agreement between Xstrahl Ltd and Johns Hopkins University.« less

Dynamical properties of a family of collisionless models of elliptical galaxies

NASA Astrophysics Data System (ADS)

Bertin, G.; Trenti, M.

2004-04-01

N-body simulations of collisionless collapse have offered important clues to the construction of realistic stellar dynamical models of elliptical galaxies. Such simulations confirm and quantify the qualitative expectation that rapid collapse of a self-gravitating collisionless system, initially cool and significantly far from equilibrium, leads to incomplete relaxation, that is to a quasi-equilibrium configuration characterized by isotropic, quasi-Maxwellian distribution of stellar orbits in the inner regions and by radially biased anisotropic pressure in the outer parts. In earlier studies, as illustrated in a number of papers several years ago, the attention was largely focused on the successful comparison between the models (constructed under the qualitative clues offered by the N-body simulations mentioned above) and the observations. In this paper we revisit the problem of incomplete violent relaxation, by making a direct comparison between the detailed properties of a family of distribution functions and those of the products of collisionless collapse found in N-body simulations.

Use of simulation to compare the performance of minimization with stratified blocked randomization.

PubMed

Toorawa, Robert; Adena, Michael; Donovan, Mark; Jones, Steve; Conlon, John

2009-01-01

Minimization is an alternative method to stratified permuted block randomization, which may be more effective at balancing treatments when there are many strata. However, its use in the regulatory setting for industry trials remains controversial, primarily due to the difficulty in interpreting conventional asymptotic statistical tests under restricted methods of treatment allocation. We argue that the use of minimization should be critically evaluated when designing the study for which it is proposed. We demonstrate by example how simulation can be used to investigate whether minimization improves treatment balance compared with stratified randomization, and how much randomness can be incorporated into the minimization before any balance advantage is no longer retained. We also illustrate by example how the performance of the traditional model-based analysis can be assessed, by comparing the nominal test size with the observed test size over a large number of simulations. We recommend that the assignment probability for the minimization be selected using such simulations. Copyright (c) 2008 John Wiley & Sons, Ltd.

Simulation of two-phase flow in horizontal fracture networks with numerical manifold method

NASA Astrophysics Data System (ADS)

Ma, G. W.; Wang, H. D.; Fan, L. F.; Wang, B.

2017-10-01

The paper presents simulation of two-phase flow in discrete fracture networks with numerical manifold method (NMM). Each phase of fluids is considered to be confined within the assumed discrete interfaces in the present method. The homogeneous model is modified to approach the mixed fluids. A new mathematical cover formation for fracture intersection is proposed to satisfy the mass conservation. NMM simulations of two-phase flow in a single fracture, intersection, and fracture network are illustrated graphically and validated by the analytical method or the finite element method. Results show that the motion status of discrete interface significantly depends on the ratio of mobility of two fluids rather than the value of the mobility. The variation of fluid velocity in each fracture segment and the driven fluid content are also influenced by the ratio of mobility. The advantages of NMM in the simulation of two-phase flow in a fracture network are demonstrated in the present study, which can be further developed for practical engineering applications.

Modeling Temporal Processes in Early Spacecraft Design: Application of Discrete-Event Simulations for Darpa's F6 Program

NASA Technical Reports Server (NTRS)

Dubos, Gregory F.; Cornford, Steven

2012-01-01

While the ability to model the state of a space system over time is essential during spacecraft operations, the use of time-based simulations remains rare in preliminary design. The absence of the time dimension in most traditional early design tools can however become a hurdle when designing complex systems whose development and operations can be disrupted by various events, such as delays or failures. As the value delivered by a space system is highly affected by such events, exploring the trade space for designs that yield the maximum value calls for the explicit modeling of time.This paper discusses the use of discrete-event models to simulate spacecraft development schedule as well as operational scenarios and on-orbit resources in the presence of uncertainty. It illustrates how such simulations can be utilized to support trade studies, through the example of a tool developed for DARPA's F6 program to assist the design of "fractionated spacecraft".

Tackling sampling challenges in biomolecular simulations.

PubMed

Barducci, Alessandro; Pfaendtner, Jim; Bonomi, Massimiliano

2015-01-01

Molecular dynamics (MD) simulations are a powerful tool to give an atomistic insight into the structure and dynamics of proteins. However, the time scales accessible in standard simulations, which often do not match those in which interesting biological processes occur, limit their predictive capabilities. Many advanced sampling techniques have been proposed over the years to overcome this limitation. This chapter focuses on metadynamics, a method based on the introduction of a time-dependent bias potential to accelerate sampling and recover equilibrium properties of a few descriptors that are able to capture the complexity of a process at a coarse-grained level. The theory of metadynamics and its combination with other popular sampling techniques such as the replica exchange method is briefly presented. Practical applications of these techniques to the study of the Trp-Cage miniprotein folding are also illustrated. The examples contain a guide for performing these calculations with PLUMED, a plugin to perform enhanced sampling simulations in combination with many popular MD codes.

Time-domain reflectance diffuse optical tomography with Mellin-Laplace transform for experimental detection and depth localization of a single absorbing inclusion

PubMed Central

Puszka, Agathe; Hervé, Lionel; Planat-Chrétien, Anne; Koenig, Anne; Derouard, Jacques; Dinten, Jean-Marc

2013-01-01

We show how to apply the Mellin-Laplace transform to process time-resolved reflectance measurements for diffuse optical tomography. We illustrate this method on simulated signals incorporating the main sources of experimental noise and suggest how to fine-tune the method in order to detect the deepest absorbing inclusions and optimize their localization in depth, depending on the dynamic range of the measurement. To finish, we apply this method to measurements acquired with a setup including a femtosecond laser, photomultipliers and a time-correlated single photon counting board. Simulations and experiments are illustrated for a probe featuring the interfiber distance of 1.5 cm and show the potential of time-resolved techniques for imaging absorption contrast in depth with this geometry. PMID:23577292

A new framework for quantifying uncertainties in modelling studies for future climates - how more certain are CMIP5 precipitation and temperature simulations compared to CMIP3?

NASA Astrophysics Data System (ADS)

Sharma, A.; Woldemeskel, F. M.; Sivakumar, B.; Mehrotra, R.

2014-12-01

We outline a new framework for assessing uncertainties in model simulations, be they hydro-ecological simulations for known scenarios, or climate simulations for assumed scenarios representing the future. This framework is illustrated here using GCM projections for future climates for hydrologically relevant variables (precipitation and temperature), with the uncertainty segregated into three dominant components - model uncertainty, scenario uncertainty (representing greenhouse gas emission scenarios), and ensemble uncertainty (representing uncertain initial conditions and states). A novel uncertainty metric, the Square Root Error Variance (SREV), is used to quantify the uncertainties involved. The SREV requires: (1) Interpolating raw and corrected GCM outputs to a common grid; (2) Converting these to percentiles; (3) Estimating SREV for model, scenario, initial condition and total uncertainty at each percentile; and (4) Transforming SREV to a time series. The outcome is a spatially varying series of SREVs associated with each model that can be used to assess how uncertain the system is at each simulated point or time. This framework, while illustrated in a climate change context, is completely applicable for assessment of uncertainties any modelling framework may be subject to. The proposed method is applied to monthly precipitation and temperature from 6 CMIP3 and 13 CMIP5 GCMs across the world. For CMIP3, B1, A1B and A2 scenarios whereas for CMIP5, RCP2.6, RCP4.5 and RCP8.5 representing low, medium and high emissions are considered. For both CMIP3 and CMIP5, model structure is the largest source of uncertainty, which reduces significantly after correcting for biases. Scenario uncertainly increases, especially for temperature, in future due to divergence of the three emission scenarios analysed. While CMIP5 precipitation simulations exhibit a small reduction in total uncertainty over CMIP3, there is almost no reduction observed for temperature projections. Estimation of uncertainty in both space and time sheds lights on the spatial and temporal patterns of uncertainties in GCM outputs, providing an effective platform for risk-based assessments of any alternate plans or decisions that may be formulated using GCM simulations.

GENET note no. 1

NASA Technical Reports Server (NTRS)

Yeh, J. W.

1971-01-01

The general features of the GENET system for simulating networks are described. A set of features is presented which are desirable for network simulations and which are expected to be achieved by this system. Among these features are: (1) two level network modeling; and (2) problem oriented operations. Several typical network systems are modeled in GENET framework to illustrate various of the features and to show its applicability.

Performance analysis of static locking in replicated distributed database systems

NASA Technical Reports Server (NTRS)

Kuang, Yinghong; Mukkamala, Ravi

1991-01-01

Data replication and transaction deadlocks can severely affect the performance of distributed database systems. Many current evaluation techniques ignore these aspects, because it is difficult to evaluate through analysis and time consuming to evaluate through simulation. A technique is used that combines simulation and analysis to closely illustrate the impact of deadlock and evaluate performance of replicated distributed database with both shared and exclusive locks.

[Somatic disorders, factitious disorders and simulation: the subtle art of differential diagnosis].

PubMed

Lleshi, V; Le Goff-Cubilier, V; Budry, P; Bryois, C

2007-04-04

In every day practice, it is difficult, sometimes impossible, and always ethically delicate to determine the differential diagnosis between: disorders of a somatic nature, simulation and factitious disorders, as much for the psychiatrist as for the general practitioner in the front line. Our aim is to lead a reflection on this controversial theme on the basis of a clinical illustration.

Mathematical modeling and simulation of the space shuttle imaging radar antennas

NASA Technical Reports Server (NTRS)

Campbell, R. W.; Melick, K. E.; Coffey, E. L., III

1978-01-01

Simulations of space shuttle synthetic aperture radar antennas under the influence of space environmental conditions were carried out at L, C, and X-band. Mathematical difficulties in modeling large, non-planar array antennas are discussed, and an approximate modeling technique is presented. Results for several antenna error conditions are illustrated in far-field profile patterns, earth surface footprint contours, and summary graphs.

New method for qualitative simulations of water resources systems. 2. Applications

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

Antunes, M.P.; Seixas, M.J.; Camara, A.S.

1987-11-01

SLIN (Simulacao Linguistica) is a new method for qualitative dynamic simulation. As was presented previously, SLIN relies upon a categorical representation of variables which are manipulated by logical rules. Two applications to water resources systems are included to illustrate SLIN's potential usefulness: the environmental impact evaluation of a hydropower plant and the assessment of oil dispersion in the sea after a tanker wreck.

Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics

PubMed Central

Petsev, Nikolai D.; Leal, L. Gary; Shell, M. Scott

2015-01-01

We present a new multiscale simulation methodology for coupling a region with atomistic detail simulated via molecular dynamics (MD) to a numerical solution of the fluctuating Navier-Stokes equations obtained from smoothed dissipative particle dynamics (SDPD). In this approach, chemical potential gradients emerge due to differences in resolution within the total system and are reduced by introducing a pairwise thermodynamic force inside the buffer region between the two domains where particles change from MD to SDPD types. When combined with a multi-resolution SDPD approach, such as the one proposed by Kulkarni et al. [J. Chem. Phys. 138, 234105 (2013)], this method makes it possible to systematically couple atomistic models to arbitrarily coarse continuum domains modeled as SDPD fluids with varying resolution. We test this technique by showing that it correctly reproduces thermodynamic properties across the entire simulation domain for a simple Lennard-Jones fluid. Furthermore, we demonstrate that this approach is also suitable for non-equilibrium problems by applying it to simulations of the start up of shear flow. The robustness of the method is illustrated with two different flow scenarios in which shear forces act in directions parallel and perpendicular to the interface separating the continuum and atomistic domains. In both cases, we obtain the correct transient velocity profile. We also perform a triple-scale shear flow simulation where we include two SDPD regions with different resolutions in addition to a MD domain, illustrating the feasibility of a three-scale coupling. PMID:25637963

Cost Reporting Elements and Activity Cost Tradeoffs for Defense System Software. Volume I. Study Results.

DTIC Science & Technology

1977-05-01

C31) programs; (4) simulator/ trainer programs ; and (5) automatic test equipment software. Each of these five types of software represents a problem...coded in the same source language, say JOVIAL, then source—language statements would be a better measure, since that would automatically compensate...whether done at no (visible) cost or by renegotiation of the contract. Fig. 2.3 illustrates these with solid lines. It is conjec- tured that the change

Coordination of fractional-order nonlinear multi-agent systems via distributed impulsive control

NASA Astrophysics Data System (ADS)

Ma, Tiedong; Li, Teng; Cui, Bing

2018-01-01

The coordination of fractional-order nonlinear multi-agent systems via distributed impulsive control method is studied in this paper. Based on the theory of impulsive differential equations, algebraic graph theory, Lyapunov stability theory and Mittag-Leffler function, two novel sufficient conditions for achieving the cooperative control of a class of fractional-order nonlinear multi-agent systems are derived. Finally, two numerical simulations are verified to illustrate the effectiveness and feasibility of the proposed method.

The effect of disorder on the wave propagation in one-dimensional periodic optical systems

NASA Astrophysics Data System (ADS)

Godin, Yuri A.; Molchanov, Stanislav; Vainberg, Boris

2011-02-01

The influence of disorder on the transmission through periodic waveguides is studied. Using a canonical form of the transfer matrix, we investigate the dependence of the Lyapunov exponent γ on the frequency ν and magnitude of the disorder σ. It is shown that in the bulk of the bands γ ∼ σ2, while near the band edges it has order γ ∼ σ2/3. This dependence is illustrated by numerical simulations.

Influence diagnostics for count data under AB-BA crossover trials.

PubMed

Hao, Chengcheng; von Rosen, Dietrich; von Rosen, Tatjana

2017-12-01

This paper aims to develop diagnostic measures to assess the influence of data perturbations on estimates in AB-BA crossover studies with a Poisson distributed response. Generalised mixed linear models with normally distributed random effects are utilised. We show that in this special case, the model can be decomposed into two independent sub-models which allow to derive closed-form expressions to evaluate the changes in the maximum likelihood estimates under several perturbation schemes. The performance of the new influence measures is illustrated by simulation studies and the analysis of a real dataset.

Analysis of the dynamics of multi-team Bertrand game with heterogeneous players

NASA Astrophysics Data System (ADS)

Ding, Zhanwen; Hang, Qinglan; Yang, Honglin

2011-06-01

In this article, we study the dynamics of a two-team Bertrand game with players having heterogeneous expectations. We study the equilibrium solutions and the conditions of their locally asymptotic stability. Numerical simulations are used to illustrate the complex behaviours of the proposed model of the Bertrand game. We demonstrate that some parameters of the model have great influence on the stability of Nash equilibrium and on the speed of convergence to Nash equilibrium. The chaotic behaviour of the model has been controlled by using feedback control method.

Zero-inflated Conway-Maxwell Poisson Distribution to Analyze Discrete Data.

PubMed

Sim, Shin Zhu; Gupta, Ramesh C; Ong, Seng Huat

2018-01-09

In this paper, we study the zero-inflated Conway-Maxwell Poisson (ZICMP) distribution and develop a regression model. Score and likelihood ratio tests are also implemented for testing the inflation/deflation parameter. Simulation studies are carried out to examine the performance of these tests. A data example is presented to illustrate the concepts. In this example, the proposed model is compared to the well-known zero-inflated Poisson (ZIP) and the zero- inflated generalized Poisson (ZIGP) regression models. It is shown that the fit by ZICMP is comparable or better than these models.

A study on aircraft map display location and orientation. [effects of map display location on manual piloting performance

NASA Technical Reports Server (NTRS)

Baty, D. L.; Wempe, T. E.; Huff, E. M.

1973-01-01

Six airline pilots participated in a fixed-base simulator study to determine the effects of two Horizontal Situation Display (HSD/map) panel locations relative to the Vertical Situation Display (VSD), and of three map orientations on manual piloting performance. Pilot comments and opinions were formally obtained. Significant performance differences were found between wind conditions, and among pilots, but not between map locations and orientations. The results also illustrate the potential tracking accuracy of such a display. Recommendations concerning display location and map orientation are made.

Local rules simulation of the kinetics of virus capsid self-assembly.

PubMed

Schwartz, R; Shor, P W; Prevelige, P E; Berger, B

1998-12-01

A computer model is described for studying the kinetics of the self-assembly of icosahedral viral capsids. Solution of this problem is crucial to an understanding of the viral life cycle, which currently cannot be adequately addressed through laboratory techniques. The abstract simulation model employed to address this is based on the local rules theory of. Proc. Natl. Acad. Sci. USA. 91:7732-7736). It is shown that the principle of local rules, generalized with a model of kinetics and other extensions, can be used to simulate complicated problems in self-assembly. This approach allows for a computationally tractable molecular dynamics-like simulation of coat protein interactions while retaining many relevant features of capsid self-assembly. Three simple simulation experiments are presented to illustrate the use of this model. These show the dependence of growth and malformation rates on the energetics of binding interactions, the tolerance of errors in binding positions, and the concentration of subunits in the examples. These experiments demonstrate a tradeoff within the model between growth rate and fidelity of assembly for the three parameters. A detailed discussion of the computational model is also provided.

Volume illustration of muscle from diffusion tensor images.

PubMed

Chen, Wei; Yan, Zhicheng; Zhang, Song; Crow, John Allen; Ebert, David S; McLaughlin, Ronald M; Mullins, Katie B; Cooper, Robert; Ding, Zi'ang; Liao, Jun

2009-01-01

Medical illustration has demonstrated its effectiveness to depict salient anatomical features while hiding the irrelevant details. Current solutions are ineffective for visualizing fibrous structures such as muscle, because typical datasets (CT or MRI) do not contain directional details. In this paper, we introduce a new muscle illustration approach that leverages diffusion tensor imaging (DTI) data and example-based texture synthesis techniques. Beginning with a volumetric diffusion tensor image, we reformulate it into a scalar field and an auxiliary guidance vector field to represent the structure and orientation of a muscle bundle. A muscle mask derived from the input diffusion tensor image is used to classify the muscle structure. The guidance vector field is further refined to remove noise and clarify structure. To simulate the internal appearance of the muscle, we propose a new two-dimensional example based solid texture synthesis algorithm that builds a solid texture constrained by the guidance vector field. Illustrating the constructed scalar field and solid texture efficiently highlights the global appearance of the muscle as well as the local shape and structure of the muscle fibers in an illustrative fashion. We have applied the proposed approach to five example datasets (four pig hearts and a pig leg), demonstrating plausible illustration and expressiveness.

The International year of soils: thoughts on future directions for experiments in soil erosion research

NASA Astrophysics Data System (ADS)

Kuhn, Nikolaus J.

2015-04-01

The 2015 UN Year of Soils (IYS), implemented by the FAO, aims to increase awareness and understanding of the importance of soil for food security and essential ecosystem functions. The IYS has six specific objectives, ranging from raising the awareness among civil society and decision makers about the profound importance of soils, to the development of policies supporting the sustainable use of the non-renewable soil resource. For scientists and academic teachers using experiments to study soil erosion processes, two objectives appear of particular relevance. First is need for the rapid capacity enhancement for soil information collection and monitoring at all levels (global, regional and national). While at first glance, this objective appears to relate mostly to traditional mapping, sampling and monitoring, the threat of large-scale soil loss, at least with regards to their ecosystem services, illustrates the need for approaches of studying soils that avoids such irreversible destruction. Relying on often limited data and their extrapolation does not cover this need for soil information because rapid change of the drivers of change itself carry the risk of unprecedented soil reactions not covered by existing data sets. Experiments, on the other hand, offer the possibility to simulate and analyze future soil change in great detail. Furthermore, carefully designed experiments may also limit the actual effort involved in collecting the specific required information, e.g. by applying tests designed to study soil system behavior under controlled conditions, compared to field monitoring. For rainfall simulation, experiments should therefore involve the detailed study of erosion processes and include detailed recording and reporting of soil and rainfall properties. The development of a set of standardised rainfall simulations would widen the use data collected by such experiments. A second major area for rainfall simulation lies in the the education of the public about the crucial role soil plays in food security, climate change adaptation and mitigation, essential ecosystem services, poverty alleviation and sustainable development. While erosion monitoring and modeling, as well as erosion risk assessment maps provide a solid foundation for decision makers, the attention of the public for "dirt" is often much easier to achieve by setting up a rainfall simulation experiment that illustrates the connection between a process, such as rainfall and runoff observed in daily life, and its causes and consequences. Exploring the potential of rainfall simulation experiments as an outreach tool should therefore be part of the soil science, geomorphology and hydrology community during the IYS 2015 and beyond.

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects

NASA Astrophysics Data System (ADS)

Smith, Brendan; Akimov, Alexey V.

2018-04-01

A simple and robust methodology, dubbed Entangled Trajectories Hamiltonian Dynamics (ETHD), is developed to capture quantum nuclear effects such as tunneling and zero-point energy through the coupling of multiple classical trajectories. The approach reformulates the classically mapped second-order Quantized Hamiltonian Dynamics (QHD-2) in terms of coupled classical trajectories. The method partially enforces the uncertainty principle and facilitates tunneling. The applicability of the method is demonstrated by studying the dynamics in symmetric double well and cubic metastable state potentials. The methodology is validated using exact quantum simulations and is compared to QHD-2. We illustrate its relationship to the rigorous Bohmian quantum potential approach, from which ETHD can be derived. Our simulations show a remarkable agreement of the ETHD calculation with the quantum results, suggesting that ETHD may be a simple and inexpensive way of including quantum nuclear effects in molecular dynamics simulations.

Visual simulation of fatigue crack growth

NASA Astrophysics Data System (ADS)

Wang, Shuanzhu; Margolin, Harold; Lin, Fengbao

1998-07-01

An attempt has been made to visually simulate fatigue crack propagation from a precrack. An integrated program was developed for this purpose. The crack-tip shape was determined at four load positions in the first load cycle. The final shape was a blunt front with an “ear” profile at the precrack tip. A more general model, schematically illustrating the mechanism of fatigue crack growth and striation formation in a ductile material, was proposed based on this simulation. According to the present model, fatigue crack growth is an intermittent process; cyclic plastic shear strain is the driving force applied to both state I and II crack growth. No fracture mode transition occurs between the two stages in the present study. The crack growth direction alternates, moving up and down successively, producing fatigue striations. A brief examination has been made of the crack growth path in a ductile two-phase material.

Understanding gas adsorption in MOF-5/graphene oxide composite materials.

PubMed

Lin, Li-Chiang; Paik, Dooam; Kim, Jihan

2017-05-10

Metal-organic framework (MOF) and graphene oxide (GO) composite materials (MOF/GO) have been regarded as promising for separation applications due to their synergistically enhanced adsorption properties. Molecular-level understandings of these materials, however, remain unknown to date. In this study, molecular simulations were used, for the first time, to model these composite materials. Specifically, the composite MOF-5/GO material was modeled as stacks of sandwich-like layers on top of one another, consistent with experimental observations inferred from XRD and the SEM images. Simulations indicate that CO 2 and CH 4 bind strongly in the MOF/GO interface region, resulting in synergistically enhanced adsorption properties. To exploit the interface region, we found that in simulating linear alkanes, larger guest molecules show substantially improved adsorption properties in composites compared to the parent MOF-5 structure, illustrating that the performance of adsorption in these molecules will benefit the most from the MOF/GO composites.

Calculating expected DNA remnants from ancient founding events in human population genetics

PubMed Central

Stacey, Andrew; Sheffield, Nathan C; Crandall, Keith A

2008-01-01

Background Recent advancements in sequencing and computational technologies have led to rapid generation and analysis of high quality genetic data. Such genetic data have achieved wide acceptance in studies of historic human population origins and admixture. However, in studies relating to small, recent admixture events, genetic factors such as historic population sizes, genetic drift, and mutation can have pronounced effects on data reliability and utility. To address these issues we conducted genetic simulations targeting influential genetic parameters in admixed populations. Results We performed a series of simulations, adjusting variable values to assess the affect of these genetic parameters on current human population studies and what these studies infer about past population structure. Final mean allele frequencies varied from 0.0005 to over 0.50, depending on the parameters. Conclusion The results of the simulations illustrate that, while genetic data may be sensitive and powerful in large genetic studies, caution must be used when applying genetic information to small, recent admixture events. For some parameter sets, genetic data will not be adequate to detect historic admixture. In such cases, studies should consider anthropologic, archeological, and linguistic data where possible. PMID:18928554

Modeling the Transfer Function for the Dark Energy Survey

DOE PAGES

Chang, C.

2015-03-04

We present a forward-modeling simulation framework designed to model the data products from the Dark Energy Survey (DES). This forward-model process can be thought of as a transfer function—a mapping from cosmological/astronomical signals to the final data products used by the scientists. Using output from the cosmological simulations (the Blind Cosmology Challenge), we generate simulated images (the Ultra Fast Image Simulator) and catalogs representative of the DES data. In this work we demonstrate the framework by simulating the 244 deg 2 coadd images and catalogs in five bands for the DES Science Verification data. The simulation output is compared withmore » the corresponding data to show that major characteristics of the images and catalogs can be captured. We also point out several directions of future improvements. Two practical examples—star-galaxy classification and proximity effects on object detection—are then used to illustrate how one can use the simulations to address systematics issues in data analysis. With clear understanding of the simplifications in our model, we show that one can use the simulations side-by-side with data products to interpret the measurements. This forward modeling approach is generally applicable for other upcoming and future surveys. It provides a powerful tool for systematics studies that is sufficiently realistic and highly controllable.« less

Gene regulatory networks: a coarse-grained, equation-free approach to multiscale computation.

PubMed

Erban, Radek; Kevrekidis, Ioannis G; Adalsteinsson, David; Elston, Timothy C

2006-02-28

We present computer-assisted methods for analyzing stochastic models of gene regulatory networks. The main idea that underlies this equation-free analysis is the design and execution of appropriately initialized short bursts of stochastic simulations; the results of these are processed to estimate coarse-grained quantities of interest, such as mesoscopic transport coefficients. In particular, using a simple model of a genetic toggle switch, we illustrate the computation of an effective free energy Phi and of a state-dependent effective diffusion coefficient D that characterize an unavailable effective Fokker-Planck equation. Additionally we illustrate the linking of equation-free techniques with continuation methods for performing a form of stochastic "bifurcation analysis"; estimation of mean switching times in the case of a bistable switch is also implemented in this equation-free context. The accuracy of our methods is tested by direct comparison with long-time stochastic simulations. This type of equation-free analysis appears to be a promising approach to computing features of the long-time, coarse-grained behavior of certain classes of complex stochastic models of gene regulatory networks, circumventing the need for long Monte Carlo simulations.

Hand ultrasound: a high-fidelity simulation of lung sliding.

PubMed

Shokoohi, Hamid; Boniface, Keith

2012-09-01

Simulation training has been effectively used to integrate didactic knowledge and technical skills in emergency and critical care medicine. In this article, we introduce a novel model of simulating lung ultrasound and the features of lung sliding and pneumothorax by performing a hand ultrasound. The simulation model involves scanning the palmar aspect of the hand to create normal lung sliding in varying modes of scanning and to mimic ultrasound features of pneumothorax, including "stratosphere/barcode sign" and "lung point." The simple, reproducible, and readily available simulation model we describe demonstrates a high-fidelity simulation surrogate that can be used to rapidly illustrate the signs of normal and abnormal lung sliding at the bedside. © 2012 by the Society for Academic Emergency Medicine.

Cognitive diagnosis modelling incorporating item response times.

PubMed

Zhan, Peida; Jiao, Hong; Liao, Dandan

2018-05-01

To provide more refined diagnostic feedback with collateral information in item response times (RTs), this study proposed joint modelling of attributes and response speed using item responses and RTs simultaneously for cognitive diagnosis. For illustration, an extended deterministic input, noisy 'and' gate (DINA) model was proposed for joint modelling of responses and RTs. Model parameter estimation was explored using the Bayesian Markov chain Monte Carlo (MCMC) method. The PISA 2012 computer-based mathematics data were analysed first. These real data estimates were treated as true values in a subsequent simulation study. A follow-up simulation study with ideal testing conditions was conducted as well to further evaluate model parameter recovery. The results indicated that model parameters could be well recovered using the MCMC approach. Further, incorporating RTs into the DINA model would improve attribute and profile correct classification rates and result in more accurate and precise estimation of the model parameters. © 2017 The British Psychological Society.

Magnetic Dissipation in Asymmetric Strong Guide 3D Simulations: Examples of Magnetic Diffusion and Reconnection

NASA Astrophysics Data System (ADS)

Scudder, J. D.; Karimabadi, H.; Daughton, W. S.

2013-12-01

Interpretations of 2D simulations of magnetic reconnection are greatly simplified by using the flux function, usually the out of plane component of the vector potential. This theoretical device is no longer available when simulations are analyzed in 3-D. We illustrate the results of determining the locale rates of flux slippage in simulations by a technique based on Maxwell's equations. The technique recovers the usual results obtained for the flux function in 2D simulations, but remains viable in 3D simulations where there is no flux function. The method has also been successfully tested for full PIC simulations where reconnection is geometrically forbiddden. While such layers possess measurable flux slippages (diffusion) their level is not as strong as recorded in known 2D PIC reconnection sites using the same methodology. This approach will be used to explore the spatial incidence and strength of flux slippages across a 3D, asymmetric, strong guide field run discussed previously in the literature. Regions of diffusive behavior are illustrated where LHDI has been previously identified out on the separatrices, while much stronger flux slippages, typical of the X-regions of 2D simulations, are shown to occur elsewhere throughout the simulation. These results suggest that reconnection requires sufficiently vigorous flux slippage to be self sustaining, while non-zero flux slippage can and does occur without being at the reconnection site. A cross check of this approach is provided by the mixing ratio of tagged simulation particles of known spatial origin discussed by Daughton et al., 2013 (this meeting); they provide an integral measure of flux slippage up to the present point in the simulation. We will discuss the correlations between our Maxwell based flux slippage rates and the inferred rates of change of this mixing ratio (as recorded in the local fluid frame).

Space-filling designs for computer experiments: A review

DOE PAGES

Joseph, V. Roshan

2016-01-29

Improving the quality of a product/process using a computer simulator is a much less expensive option than the real physical testing. However, simulation using computationally intensive computer models can be time consuming and therefore, directly doing the optimization on the computer simulator can be infeasible. Experimental design and statistical modeling techniques can be used for overcoming this problem. This article reviews experimental designs known as space-filling designs that are suitable for computer simulations. In the review, a special emphasis is given for a recently developed space-filling design called maximum projection design. Furthermore, its advantages are illustrated using a simulation conductedmore » for optimizing a milling process.« less

Space-filling designs for computer experiments: A review

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

Joseph, V. Roshan

Improving the quality of a product/process using a computer simulator is a much less expensive option than the real physical testing. However, simulation using computationally intensive computer models can be time consuming and therefore, directly doing the optimization on the computer simulator can be infeasible. Experimental design and statistical modeling techniques can be used for overcoming this problem. This article reviews experimental designs known as space-filling designs that are suitable for computer simulations. In the review, a special emphasis is given for a recently developed space-filling design called maximum projection design. Furthermore, its advantages are illustrated using a simulation conductedmore » for optimizing a milling process.« less

An adaptive detector and channel estimator for deep space optical communications

NASA Technical Reports Server (NTRS)

Mukai, R.; Arabshahi, P.; Yan, T. Y.

2001-01-01

This paper will discuss the design and testing of both the channel parameter identification system, and the adaptive threshold system, and illustrate their advantages and performance under simulated channel degradation conditions.

Structures and dynamics in a two-dimensional dipolar dust particle system

NASA Astrophysics Data System (ADS)

Hou, X. N.; Liu, Y. H.; Kravchenko, O. V.; Lapushkina, T. A.; Azarova, O. A.; Chen, Z. Y.; Huang, F.

2018-05-01

The effects of electric dipole moment, the number of dipolar particles, and system temperature on the structures and dynamics of a dipolar dust particle system are studied by molecular dynamics simulations. The results show that the larger electric dipole moment is favorable for the formation of a long-chain structure, the larger number of dipolar dust particles promotes the formation of the multi-chain structure, and the higher system temperature can cause higher rotation frequency. The trajectories, mean square displacement (MSD), and the corresponding spectrum functions of the MSDs are also calculated to illustrate the dynamics of the dipolar dust particle system, which is also closely related to the growth of dust particles. Some simulations are qualitatively in agreement with our experiments and can provide a guide for the study on dust growth, especially on the large-sized particles.

Identifying the optimal spatially and temporally invariant root distribution for a semiarid environment

NASA Astrophysics Data System (ADS)

Sivandran, Gajan; Bras, Rafael L.

2012-12-01

In semiarid regions, the rooting strategies employed by vegetation can be critical to its survival. Arid regions are characterized by high variability in the arrival of rainfall, and species found in these areas have adapted mechanisms to ensure the capture of this scarce resource. Vegetation roots have strong control over this partitioning, and assuming a static root profile, predetermine the manner in which this partitioning is undertaken.A coupled, dynamic vegetation and hydrologic model, tRIBS + VEGGIE, was used to explore the role of vertical root distribution on hydrologic fluxes. Point-scale simulations were carried out using two spatially and temporally invariant rooting schemes: uniform: a one-parameter model and logistic: a two-parameter model. The simulations were forced with a stochastic climate generator calibrated to weather stations and rain gauges in the semiarid Walnut Gulch Experimental Watershed (WGEW) in Arizona. A series of simulations were undertaken exploring the parameter space of both rooting schemes and the optimal root distribution for the simulation, which was defined as the root distribution with the maximum mean transpiration over a 100-yr period, and this was identified. This optimal root profile was determined for five generic soil textures and two plant-functional types (PFTs) to illustrate the role of soil texture on the partitioning of moisture at the land surface. The simulation results illustrate the strong control soil texture has on the partitioning of rainfall and consequently the depth of the optimal rooting profile. High-conductivity soils resulted in the deepest optimal rooting profile with land surface moisture fluxes dominated by transpiration. As we move toward the lower conductivity end of the soil spectrum, a shallowing of the optimal rooting profile is observed and evaporation gradually becomes the dominate flux from the land surface. This study offers a methodology through which local plant, soil, and climate can be accounted for in the parameterization of rooting profiles in semiarid regions.

Effects of dimensionality on kinetic simulations of laser-ion acceleration in the transparency regime

NASA Astrophysics Data System (ADS)

Stark, D. J.; Yin, L.; Albright, B. J.; Guo, F.

2017-05-01

A particle-in-cell study of laser-ion acceleration mechanisms in the transparency regime illustrates how two-dimensional (2D) S and P simulations (laser polarization in and out of the simulation plane, respectively) capture different physics characterizing these systems, visible in their entirety often in cost-prohibitive three-dimensional (3D) simulations. The electron momentum anisotropy induced in the target by a laser pulse is dramatically different in the two 2D cases, manifested in differences in target expansion timescales, electric field strengths, and density thresholds for the onset of relativistically induced transparency. In particular, 2D-P simulations exhibit dramatically greater electron heating in the simulation plane, whereas 2D-S ones show a much more isotropic energy distribution, similar to 3D. An ion trajectory analysis allows one to isolate the fields responsible for ion acceleration and to characterize the acceleration regimes in time and space. The artificial longitudinal electron heating in 2D-P exaggerates the effectiveness of target-normal sheath acceleration into its dominant acceleration mechanism throughout the laser-plasma interaction, whereas 2D-S and 3D both have sizable populations accelerated preferentially during transparency.

Effects of dimensionality on kinetic simulations of laser-ion acceleration in the transparency regime

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

Stark, David James; Yin, Lin; Albright, Brian James

2017-05-03

A particle-in-cell study of laser-ion acceleration mechanisms in the transparency regime illustrates how two-dimensional (2D) S and P simulations (laser polarization in and out of the simulation plane, respectively) capture different physics characterizing these systems, visible in their entirety in often cost-prohibitive three-dimensional (3D) simulations. The electron momentum anisotropy induced in the target by the laser pulse is dramatically different in the two 2D cases, manifested in differences in target expansion timescales, electric field strengths, and density thresholds for the onset of relativistically induced transparency. In particular, 2D-P simulations exhibit dramatically greater electron heating in the simulation plane, whereas 2D-Smore » ones show a much more isotropic energy distribution, similar to 3D. An ion trajectory analysis allows one to isolate the fields responsible for ion acceleration and to characterize the acceleration regimes in time and space. The artificial longitudinal electron heating in 2D-P exaggerates the effectiveness of target-normal sheath acceleration into its dominant acceleration mechanism throughout the laser-plasma interaction, whereas 2D-S and 3D both have sizable populations accelerated preferentially during transparency.« less

System-of-Systems Approach for Integrated Energy Systems Modeling and Simulation: Preprint

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

Mittal, Saurabh; Ruth, Mark; Pratt, Annabelle

Today’s electricity grid is the most complex system ever built—and the future grid is likely to be even more complex because it will incorporate distributed energy resources (DERs) such as wind, solar, and various other sources of generation and energy storage. The complexity is further augmented by the possible evolution to new retail market structures that provide incentives to owners of DERs to support the grid. To understand and test new retail market structures and technologies such as DERs, demand-response equipment, and energy management systems while providing reliable electricity to all customers, an Integrated Energy System Model (IESM) is beingmore » developed at NREL. The IESM is composed of a power flow simulator (GridLAB-D), home energy management systems implemented using GAMS/Pyomo, a market layer, and hardware-in-the-loop simulation (testing appliances such as HVAC, dishwasher, etc.). The IESM is a system-of-systems (SoS) simulator wherein the constituent systems are brought together in a virtual testbed. We will describe an SoS approach for developing a distributed simulation environment. We will elaborate on the methodology and the control mechanisms used in the co-simulation illustrated by a case study.« less

Impact of Ice Ages on the genetic structure of trees and shrubs.

PubMed Central

Lascoux, Martin; Palmé, Anna E; Cheddadi, Rachid; Latta, Robert G

2004-01-01

Data on the genetic structure of tree and shrub populations on the continental scale have accumulated dramatically over the past decade. However, our ability to make inferences on the impact of the last ice age still depends crucially on the availability of informative palaeoecological data. This is well illustrated by the results from a recent project, during which new pollen fossil maps were established and the variation in chloroplast DNA was studied in 22 European species of trees and shrubs. Species exhibit very different levels of genetic variation between and within populations, and obviously went through very different histories after Ice Ages. However, when palaeoecological data are non-informative, inferences on past history are difficult to draw from entirely genetic data. On the other hand, as illustrated by a study in ponderosa pine, when we can infer the species' history with some certainty, coalescent simulations can be used and new hypotheses can be tested. PMID:15101576

TUTORIAL: Validating biorobotic models

NASA Astrophysics Data System (ADS)

Webb, Barbara

2006-09-01

Some issues in neuroscience can be addressed by building robot models of biological sensorimotor systems. What we can conclude from building models or simulations, however, is determined by a number of factors in addition to the central hypothesis we intend to test. These include the way in which the hypothesis is represented and implemented in simulation, how the simulation output is interpreted, how it is compared to the behaviour of the biological system, and the conditions under which it is tested. These issues will be illustrated by discussing a series of robot models of cricket phonotaxis behaviour. .

Three-dimensional phase-field simulations of directional solidification

NASA Astrophysics Data System (ADS)

Plapp, Mathis

2007-05-01

The phase-field method has become the method of choice for simulating microstructural pattern formation during solidification. One of its main advantages is that time-dependent three-dimensional simulations become feasible, which makes it possible to address long-standing questions of pattern stability and pattern selection. Here, a brief introduction to the phase-field model and its implementation is given, and its capabilities are illustrated by examples taken from the directional solidification of binary alloys. In particular, the morphological stability of hexagonal cellular arrays and of eutectic lamellar patterns is investigated.

Stochastic wave-function unravelling of the generalized Lindblad equation

NASA Astrophysics Data System (ADS)

Semin, V.; Semina, I.; Petruccione, F.

2017-12-01

We investigate generalized non-Markovian stochastic Schrödinger equations (SSEs), driven by a multidimensional counting process and multidimensional Brownian motion introduced by A. Barchielli and C. Pellegrini [J. Math. Phys. 51, 112104 (2010), 10.1063/1.3514539]. We show that these SSEs can be translated in a nonlinear form, which can be efficiently simulated. The simulation is illustrated by the model of a two-level system in a structured bath, and the results of the simulations are compared with the exact solution of the generalized master equation.

Drag Reduction of an Airfoil Using Deep Learning

NASA Astrophysics Data System (ADS)

Jiang, Chiyu; Sun, Anzhu; Marcus, Philip

2017-11-01

We reduced the drag of a 2D airfoil by starting with a NACA-0012 airfoil and used deep learning methods. We created a database which consists of simulations of 2D external flow over randomly generated shapes. We then developed a machine learning framework for external flow field inference given input shapes. Past work which utilized machine learning in Computational Fluid Dynamics focused on estimations of specific flow parameters, but this work is novel in the inference of entire flow fields. We further showed that learned flow patterns are transferable to cases that share certain similarities. This study illustrates the prospects of deeper integration of data-based modeling into current CFD simulation frameworks for faster flow inference and more accurate flow modeling.

Integrating Flight Dynamics & Control Analysis and Simulation in Rotorcraft Conceptual Design

NASA Technical Reports Server (NTRS)

Lawrence, Ben; Berger, Tom; Tischler, Mark B.; Theodore, Colin R; Elmore, Josh; Gallaher, Andrew; Tobias, Eric L.

2016-01-01

The development of a toolset, SIMPLI-FLYD ('SIMPLIfied FLight dynamics for conceptual Design') is described. SIMPLI-FLYD is a collection of tools that perform flight dynamics and control modeling and analysis of rotorcraft conceptual designs including a capability to evaluate the designs in an X-Plane-based real-time simulation. The establishment of this framework is now facilitating the exploration of this new capability, in terms of modeling fidelity and data requirements, and the investigation of which stability and control and handling qualities requirements are appropriate for conceptual design. Illustrative design variation studies for single main rotor and tiltrotor vehicle configurations show sensitivity of the stability and control characteristics and an approach to highlight potential weight savings by identifying over-design.

Applications of pilot scanning behavior to integrated display research

NASA Technical Reports Server (NTRS)

Waller, M. C.

1977-01-01

The oculometer is an electrooptical device designed to measure pilot scanning behavior during instrument approaches and landing operations. An overview of some results from a simulation study is presented to illustrate how information from the oculometer installed in a visual motion simulator, combined with measures of performance and control input data, can provide insight into the behavior and tactics of individual pilots during instrument approaches. Differences in measured behavior of the pilot subjects are pointed out; these differences become apparent in the way the pilots distribute their visual attention, in the amount of control activity, and in selected performance measures. Some of these measured differences have diagnostic implications, suggesting the use of the oculometer along with performance measures as a pilot training tool.

CFD Modeling of a CFB Riser Using Improved Inlet Boundary Conditions

NASA Astrophysics Data System (ADS)

Peng, B. T.; Zhang, C.; Zhu, J. X.; Qi, X. B.

2010-03-01

A computational fluid dynamics (CFD) model based on Eulerian-Eulerian approach coupled with granular kinetics theory was adopted to investigate the hydrodynamics and flow structures in a circulating fluidized bed (CFB) riser column. A new approach to specify the inlet boundary conditions was proposed in this study to simulate gas-solids flow in CFB risers more accurately. Simulation results were compared with the experimental data, and good agreement between the numerical results and experimental data was observed under different operating conditions, which indicates the effectiveness and accuracy of the CFD model with the proposed inlet boundary conditions. The results also illustrate a clear core annulus structure in the CFB riser under all operating conditions both experimentally and numerically.

Simulation on Natural Convection of a Nanofluid along an Isothermal Inclined Plate

NASA Astrophysics Data System (ADS)

Mitra, Asish

2017-08-01

A numerical algorithm is presented for studying laminar natural convection flow of a nanofluid along an isothermal inclined plate. By means of similarity transformation, the original nonlinear partial differential equations of flow are transformed to a set of nonlinear ordinary differential equations. Subsequently they are reduced to a first order system and integrated using Newton Raphson and adaptive Runge-Kutta methods. The computer codes are developed for this numerical analysis in Matlab environment. Dimensionless velocity, temperature profiles and nanoparticle concentration for various angles of inclination are illustrated graphically. The effects of Prandtl number, Brownian motion parameter and thermophoresis parameter on Nusselt number are also discussed. The results of the present simulation are then compared with previous one available in literature with good agreement.

Multilevel Modeling in Psychosomatic Medicine Research

PubMed Central

Myers, Nicholas D.; Brincks, Ahnalee M.; Ames, Allison J.; Prado, Guillermo J.; Penedo, Frank J.; Benedict, Catherine

2012-01-01

The primary purpose of this manuscript is to provide an overview of multilevel modeling for Psychosomatic Medicine readers and contributors. The manuscript begins with a general introduction to multilevel modeling. Multilevel regression modeling at two-levels is emphasized because of its prevalence in psychosomatic medicine research. Simulated datasets based on some core ideas from the Familias Unidas effectiveness study are used to illustrate key concepts including: communication of model specification, parameter interpretation, sample size and power, and missing data. Input and key output files from Mplus and SAS are provided. A cluster randomized trial with repeated measures (i.e., three-level regression model) is then briefly presented with simulated data based on some core ideas from a cognitive behavioral stress management intervention in prostate cancer. PMID:23107843

Effective Thermal Conductivity of Spherical Particulate Nanocomposites: Comparison with Theoretical Models, Monte Carlo Simulations and Experiments

NASA Astrophysics Data System (ADS)

Machrafi, Hatim; Lebon, Georgy

2014-11-01

The purpose of this work is to study heat conduction in systems that are composed out of spherical micro-and nanoparticles dispersed in a bulk matrix. Special emphasis will be put on the dependence of the effective heat conductivity on various selected parameters as dimension and density of particles, interface interaction with the matrix. This is achieved by combining the effective medium approximation and extended irreversible thermodynamics, whose main feature is to elevate the heat flux vector to the status of independent variable. The model is illustrated by three examples: Silicium-Germanium, Silica-epoxy-resin and Copper-Silicium systems. Predictions of our model are in good agreement with other theoretical models, Monte-Carlo simulations and experimental data.

GPU-accelerated computational tool for studying the effectiveness of asteroid disruption techniques

NASA Astrophysics Data System (ADS)

Zimmerman, Ben J.; Wie, Bong

2016-10-01

This paper presents the development of a new Graphics Processing Unit (GPU) accelerated computational tool for asteroid disruption techniques. Numerical simulations are completed using the high-order spectral difference (SD) method. Due to the compact nature of the SD method, it is well suited for implementation with the GPU architecture, hence solutions are generated at orders of magnitude faster than the Central Processing Unit (CPU) counterpart. A multiphase model integrated with the SD method is introduced, and several asteroid disruption simulations are conducted, including kinetic-energy impactors, multi-kinetic energy impactor systems, and nuclear options. Results illustrate the benefits of using multi-kinetic energy impactor systems when compared to a single impactor system. In addition, the effectiveness of nuclear options is observed.

On Fitting Generalized Linear Mixed-effects Models for Binary Responses using Different Statistical Packages

PubMed Central

Zhang, Hui; Lu, Naiji; Feng, Changyong; Thurston, Sally W.; Xia, Yinglin; Tu, Xin M.

2011-01-01

Summary The generalized linear mixed-effects model (GLMM) is a popular paradigm to extend models for cross-sectional data to a longitudinal setting. When applied to modeling binary responses, different software packages and even different procedures within a package may give quite different results. In this report, we describe the statistical approaches that underlie these different procedures and discuss their strengths and weaknesses when applied to fit correlated binary responses. We then illustrate these considerations by applying these procedures implemented in some popular software packages to simulated and real study data. Our simulation results indicate a lack of reliability for most of the procedures considered, which carries significant implications for applying such popular software packages in practice. PMID:21671252

Convection Effects in Three-dimensional Dendritic Growth

NASA Technical Reports Server (NTRS)

Lu, Yili; Beckermann, C.; Karma, A.

2003-01-01

A phase-field model is developed to simulate free dendritic growth coupled with fluid flow for a pure material in three dimensions. The preliminary results presented here illustrate the strong influence of convection on the three-dimensional (3D) dendrite growth morphology. The detailed knowledge of the flow and temperature fields in the melt around the dendrite from the simulations allows for a detailed understanding of the convection effects on dendritic growth.

Performance analysis of static locking in replicated distributed database systems

NASA Technical Reports Server (NTRS)

Kuang, Yinghong; Mukkamala, Ravi

1991-01-01

Data replications and transaction deadlocks can severely affect the performance of distributed database systems. Many current evaluation techniques ignore these aspects, because it is difficult to evaluate through analysis and time consuming to evaluate through simulation. Here, a technique is discussed that combines simulation and analysis to closely illustrate the impact of deadlock and evaluate performance of replicated distributed databases with both shared and exclusive locks.

A multiple pointing-mount control strategy for space platforms

NASA Technical Reports Server (NTRS)

Johnson, C. D.

1992-01-01

A new disturbance-adaptive control strategy for multiple pointing-mount space platforms is proposed and illustrated by consideration of a simplified 3-link dynamic model of a multiple pointing-mount space platform. Simulation results demonstrate the effectiveness of the new platform control strategy. The simulation results also reveal a system 'destabilization phenomena' that can occur if the set of individual platform-mounted experiment controllers are 'too responsive.'

Simulation of the dc Plasma in Carbon Nanotube Growth

NASA Technical Reports Server (NTRS)

Hash, David; Bose, Deepak; Govindan, T. R.; Meyyappan, M.; Biegel, Bryan (Technical Monitor)

2003-01-01

A model for the dc plasma used in carbon nanotube growth is presented, and one-dimensional simulations of an acetylene/ammonia/argon system are performed. The effect of dc bias is illustrated by examining electron temperature, electron and ion densities, and neutral densities. Introducing a tungsten filament in the dc plasma, as in hot filament chemical vapor deposition with plasma assistance, shows negligible influence on the system characteristics.

Simulation of multistage turbine flows

NASA Technical Reports Server (NTRS)

Adamczyk, John J.; Mulac, Richard A.

1987-01-01

A flow model has been developed for analyzing multistage turbomachinery flows. This model, referred to as the average passage flow model, describes the time-averaged flow field with a typical passage of a blade row embedded within a multistage configuration. Computer resource requirements, supporting empirical modeling, formulation code development, and multitasking and storage are discussed. Illustrations from simulations of the space shuttle main engine (SSME) fuel turbine performed to date are given.

Simulation of nucleation and growth of atomic layer deposition phosphorus for doping of advanced FinFETs

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

Seidel, Thomas E., E-mail: zoomtotom@gmail.com; Goldberg, Alexander; Halls, Mat D.

2016-01-15

Simulations for the nucleation and growth of phosphorus films were carried out using density functional theory. The surface was represented by a Si{sub 9}H{sub 12} truncated cluster surface model with 2 × 1-reconstructured (100) Si-OH terminations for the initial reaction sites. Chemistries included phosphorous halides (PF{sub 3}, PCl{sub 3}, and PBr{sub 3}) and disilane (Si{sub 2}H{sub 6}). Atomic layer deposition (ALD) reaction sequences were illustrated with three-dimensional molecular models using sequential PF{sub 3} and Si{sub 2}H{sub 6} reactions and featuring SiFH{sub 3} as a byproduct. Exothermic reaction pathways were developed for both nucleation and growth for a Si-OH surface. Energetically favorable reactionsmore » for the deposition of four phosphorus atoms including lateral P–P bonding were simulated. This paper suggests energetically favorable thermodynamic reactions for the growth of elemental phosphorus on (100) silicon. Phosphorus layers made by ALD are an option for doping advanced fin field-effect transistors (FinFETs). Phosphorus may be thermally diffused into the silicon or recoil knocked in; simulations of the recoil profile of phosphorus into a FinFET surface are illustrated.« less

Q-Sample Construction: A Critical Step for a Q-Methodological Study.

PubMed

Paige, Jane B; Morin, Karen H

2016-01-01

Q-sample construction is a critical step in Q-methodological studies. Prior to conducting Q-studies, researchers start with a population of opinion statements (concourse) on a particular topic of interest from which a sample is drawn. These sampled statements are known as the Q-sample. Although literature exists on methodological processes to conduct Q-methodological studies, limited guidance exists on the practical steps to reduce the population of statements to a Q-sample. A case exemplar illustrates the steps to construct a Q-sample in preparation for a study that explored perspectives nurse educators and nursing students hold about simulation design. Experts in simulation and Q-methodology evaluated the Q-sample for readability, clarity, and for representativeness of opinions contained within the concourse. The Q-sample was piloted and feedback resulted in statement refinement. Researchers especially those undertaking Q-method studies for the first time may benefit from the practical considerations to construct a Q-sample offered in this article. © The Author(s) 2014.

Simulating smokers' acceptance of modifications in a cessation program.

PubMed Central

Spoth, R

1992-01-01

Recent research has underscored the importance of assessing barriers to smokers' acceptance of cessation programs. This paper illustrates the use of computer simulations to gauge smokers' response to program modifications which may produce barriers to participation. It also highlights methodological issues encountered in conducting this work. Computer simulations were based on conjoint analysis, a consumer research method which enables measurement of smokers' relative preference for various modifications of cessation programs. Results from two studies are presented in this paper. The primary study used a randomly selected sample of 218 adult smokers who participated in a computer-assisted phone interview. Initially, the study assessed smokers' relative utility rating of 30 features of cessation programs. Utility data were used in computer-simulated comparisons of a low-cost, self-help oriented program under development and five other existing programs. A baseline version of the program under development and two modifications (for example, use of a support group with a higher level of cost) were simulated. Both the baseline version and modifications received a favorable response vis-à-vis comparison programs. Modifications requiring higher program costs were, however, associated with moderately reduced levels of favorable consumer response. The second study used a sample of 70 smokers who responded to an expanded set of smoking cessation program features focusing on program packaging. This secondary study incorporate in-person, computer-assisted interviews at a shopping mall, with smokers viewing an artist's mock-up of various program options on display. A similar pattern of responses to simulated program modifications emerged, with monetary cost apparently playing a key role. The significance of conjoint-based computer simulation as a tool in program development or dissemination, salient methodological issues, and implications for further research are discussed. PMID:1738813

Simulating smokers' acceptance of modifications in a cessation program.

PubMed

Spoth, R

1992-01-01

Recent research has underscored the importance of assessing barriers to smokers' acceptance of cessation programs. This paper illustrates the use of computer simulations to gauge smokers' response to program modifications which may produce barriers to participation. It also highlights methodological issues encountered in conducting this work. Computer simulations were based on conjoint analysis, a consumer research method which enables measurement of smokers' relative preference for various modifications of cessation programs. Results from two studies are presented in this paper. The primary study used a randomly selected sample of 218 adult smokers who participated in a computer-assisted phone interview. Initially, the study assessed smokers' relative utility rating of 30 features of cessation programs. Utility data were used in computer-simulated comparisons of a low-cost, self-help oriented program under development and five other existing programs. A baseline version of the program under development and two modifications (for example, use of a support group with a higher level of cost) were simulated. Both the baseline version and modifications received a favorable response vis-à-vis comparison programs. Modifications requiring higher program costs were, however, associated with moderately reduced levels of favorable consumer response. The second study used a sample of 70 smokers who responded to an expanded set of smoking cessation program features focusing on program packaging. This secondary study incorporate in-person, computer-assisted interviews at a shopping mall, with smokers viewing an artist's mock-up of various program options on display. A similar pattern of responses to simulated program modifications emerged, with monetary cost apparently playing a key role. The significance of conjoint-based computer simulation as a tool in program development or dissemination, salient methodological issues, and implications for further research are discussed.

Using simulation to design a central sterilization department.

PubMed

Lin, Feng; Lawley, Mark; Spry, Charlie; McCarthy, Kelly; Coyle-Rogers, Patricia G; Yih, Yuehwern

2008-10-01

A simulation project was performed to assist with redesign of the surgery department of a large tertiary hospital and to help administrators make the best decisions about relocating, staffing, and equipping the central sterilization department. A simulation model was created to analyze department configurations, staff schedules, equipment capacities, and cart-washing requirements. Performance measures examined include tray turnaround time, surgery-delay rate, and work-in-process levels. The analysis provides significant insight into how the proposed system will perform, allowing planning for expected patient volume increases. This work illustrates how simulation can facilitate the design of a central sterilization department and improve surgical sterilization operations.

Simulation software: engineer processes before reengineering.

PubMed

Lepley, C J

2001-01-01

People make decisions all the time using intuition. But what happens when you are asked: "Are you sure your predictions are accurate? How much will a mistake cost? What are the risks associated with this change?" Once a new process is engineered, it is difficult to analyze what would have been different if other options had been chosen. Simulating a process can help senior clinical officers solve complex patient flow problems and avoid wasted efforts. Simulation software can give you the data you need to make decisions. The author introduces concepts, methodologies, and applications of computer aided simulation to illustrate their use in making decisions to improve workflow design.

Six-degree-of-freedom missile simulation using the ADI AD 100 digital computer and ADSIM simulation language

NASA Technical Reports Server (NTRS)

Zwaanenburg, Koos

1989-01-01

The use of an AD 100 computer and the ADSIM language in the six-degree-of-freedom digital simulation of an air-to-ground missile is illustrated. The missile is launched from a moving platform, typically a helicopter, and is capable of striking a mobile target up to 10 kilometers away. The missile could be any tactical missile. The performance numbers of the AD 100 show that it is possible to implement a high performance missile model in a real-time simulation without the problems associated with an implementation on a general purpose computer using FORTRAN.

Coincidental match of numerical simulation and physics

NASA Astrophysics Data System (ADS)

Pierre, B.; Gudmundsson, J. S.

2010-08-01

Consequences of rapid pressure transients in pipelines range from increased fatigue to leakages and to complete ruptures of pipeline. Therefore, accurate predictions of rapid pressure transients in pipelines using numerical simulations are critical. State of the art modelling of pressure transient in general, and water hammer in particular include unsteady friction in addition to the steady frictional pressure drop, and numerical simulations rely on the method of characteristics. Comparison of rapid pressure transient calculations by the method of characteristics and a selected high resolution finite volume method highlights issues related to modelling of pressure waves and illustrates that matches between numerical simulations and physics are purely coincidental.

Structural Durability of Damaged Metallic Panel Repaired with Composite Patches

NASA Technical Reports Server (NTRS)

Minnetyan, Levon; Chamis, Christos C.

1997-01-01

Structural durability/damage tolerance characteristics of an aluminum tension specimen possessing a short crack and repaired by applying a fiber composite surface patch is investigated via computational simulation. The composite patch is made of graphite/epoxy plies with various layups. An integrated computer code that accounts for all possible failure modes is utilized for the simulation of combined fiber-composite/aluminum structural degradation under loading. Damage initiation, growth, accumulation, and propagation to structural fracture are included in the simulation. Results show the structural degradation stages due to tensile loading and illustrate the use of computational simulation for the investigation of a composite patch repaired cracked metallic panel.

The General Ensemble Biogeochemical Modeling System (GEMS) and its applications to agricultural systems in the United States: Chapter 18

USGS Publications Warehouse

Liu, Shuguang; Tan, Zhengxi; Chen, Mingshi; Liu, Jinxun; Wein, Anne; Li, Zhengpeng; Huang, Shengli; Oeding, Jennifer; Young, Claudia; Verma, Shashi B.; Suyker, Andrew E.; Faulkner, Stephen P.

2012-01-01

The General Ensemble Biogeochemical Modeling System (GEMS) was es in individual models, it uses multiple site-scale biogeochemical models to perform model simulations. Second, it adopts Monte Carlo ensemble simulations of each simulation unit (one site/pixel or group of sites/pixels with similar biophysical conditions) to incorporate uncertainties and variability (as measured by variances and covariance) of input variables into model simulations. In this chapter, we illustrate the applications of GEMS at the site and regional scales with an emphasis on incorporating agricultural practices. Challenges in modeling soil carbon dynamics and greenhouse emissions are also discussed.

Simulation of wetlands forest vegetation dynamics

USGS Publications Warehouse

Phipps, R.L.

1979-01-01

A computer program, SWAMP, was designed to simulate the effects of flood frequency and depth to water table on southern wetlands forest vegetation dynamics. By incorporating these hydrologic characteristics into the model, forest vegetation and vegetation dynamics can be simulated. The model, based on data from the White River National Wildlife Refuge near De Witt, Arkansas, "grows" individual trees on a 20 x 20-m plot taking into account effects on the tree growth of flooding, depth to water table, shade tolerance, overtopping and crowding, and probability of death and reproduction. A potential application of the model is illustrated with simulations of tree fruit production following flood-control implementation and lumbering. ?? 1979.

Expressing Anger Is More Dangerous than Feeling Angry when Driving

PubMed Central

Qu, Weina; Dai, Mengnuo; Zhao, Wenguo; Zhang, Kan

2016-01-01

Anger is an emotion that drivers often feel and express while driving, and it is believed by researchers to be an important cause of dangerous driving behavior. In this study, the relationships between driving trait anger, driving anger expression, and dangerous driving behaviors were analyzed. The Driving Anger Scale (DAS) was used to measure driving trait anger, whereas the Driving Anger Expression (DAX) Inventory was used to measure expressions of driving anger. A sample of 38 drivers completed the DAS, DAX, and a driving simulation session on a simulator where their driving behaviors were recorded. Correlation analysis showed that the higher scores on the DAS were associated with longer durations of speeding in the simulator. The more participants expressed their anger in verbal and physical ways, the more likely they were to crash the virtual vehicle during the simulation. Regression analyses illustrated the same pattern. The findings suggest that, although trait anger is related to speeding, the passive expression of anger is the real factor underling traffic accidents. This study extends findings about the predictive effects of self-report scales of driving behaviors to behaviors recorded on a simulator. Thus, if in traffic safety propaganda, guiding drivers to use positive ways to cope with driving anger is recommended by our findings. PMID:27258144

A multiscale quantum mechanics/electromagnetics method for device simulations.

PubMed

Yam, ChiYung; Meng, Lingyi; Zhang, Yu; Chen, GuanHua

2015-04-07

Multiscale modeling has become a popular tool for research applying to different areas including materials science, microelectronics, biology, chemistry, etc. In this tutorial review, we describe a newly developed multiscale computational method, incorporating quantum mechanics into electronic device modeling with the electromagnetic environment included through classical electrodynamics. In the quantum mechanics/electromagnetics (QM/EM) method, the regions of the system where active electron scattering processes take place are treated quantum mechanically, while the surroundings are described by Maxwell's equations and a semiclassical drift-diffusion model. The QM model and the EM model are solved, respectively, in different regions of the system in a self-consistent manner. Potential distributions and current densities at the interface between QM and EM regions are employed as the boundary conditions for the quantum mechanical and electromagnetic simulations, respectively. The method is illustrated in the simulation of several realistic systems. In the case of junctionless field-effect transistors, transfer characteristics are obtained and a good agreement between experiments and simulations is achieved. Optical properties of a tandem photovoltaic cell are studied and the simulations demonstrate that multiple QM regions are coupled through the classical EM model. Finally, the study of a carbon nanotube-based molecular device shows the accuracy and efficiency of the QM/EM method.

Ventriculostomy Simulation Using Patient-Specific Ventricular Anatomy, 3D Printing, and Hydrogel Casting.

PubMed

Ryan, Justin R; Chen, Tsinsue; Nakaji, Peter; Frakes, David H; Gonzalez, L Fernando

2015-11-01

Educational simulators provide a means for students and experts to learn and refine surgical skills. Educators can leverage the strengths of medical simulators to effectively teach complex and high-risk surgical procedures, such as placement of an external ventricular drain. Our objective was to develop a cost-effective, patient-derived medical simulacrum for cerebral lateral ventriculostomy. A cost-effective, patient-derived medical simulacrum was developed for placement of an external lateral ventriculostomy. Elastomeric and gel casting techniques were used to achieve realistic brain geometry and material properties. 3D printing technology was leveraged to develop accurate cranial properties and dimensions. An economical, gravity-driven pump was developed to provide normal and abnormal ventricular pressures. A small pilot study was performed to gauge simulation efficacy using a technology acceptance model. An accurate geometric representation of the brain was developed with independent lateral cerebral ventricular chambers. A gravity-driven pump pressurized the ventricular cavities to physiologic values. A qualitative study illustrated that the simulation has potential as an educational tool to train medical professionals in the ventriculostomy procedure. The ventricular simulacrum can improve learning in a medical education environment. Rapid prototyping and multi-material casting techniques can produce patient-derived models for cost-effective and realistic surgical training scenarios. Copyright © 2015 Elsevier Inc. All rights reserved.

Expressing Anger Is More Dangerous than Feeling Angry when Driving.

PubMed

Qu, Weina; Dai, Mengnuo; Zhao, Wenguo; Zhang, Kan; Ge, Yan

2016-01-01

Anger is an emotion that drivers often feel and express while driving, and it is believed by researchers to be an important cause of dangerous driving behavior. In this study, the relationships between driving trait anger, driving anger expression, and dangerous driving behaviors were analyzed. The Driving Anger Scale (DAS) was used to measure driving trait anger, whereas the Driving Anger Expression (DAX) Inventory was used to measure expressions of driving anger. A sample of 38 drivers completed the DAS, DAX, and a driving simulation session on a simulator where their driving behaviors were recorded. Correlation analysis showed that the higher scores on the DAS were associated with longer durations of speeding in the simulator. The more participants expressed their anger in verbal and physical ways, the more likely they were to crash the virtual vehicle during the simulation. Regression analyses illustrated the same pattern. The findings suggest that, although trait anger is related to speeding, the passive expression of anger is the real factor underling traffic accidents. This study extends findings about the predictive effects of self-report scales of driving behaviors to behaviors recorded on a simulator. Thus, if in traffic safety propaganda, guiding drivers to use positive ways to cope with driving anger is recommended by our findings.

The Influence of Normalization Weight in Population Pharmacokinetic Covariate Models.

PubMed

Goulooze, Sebastiaan C; Völler, Swantje; Välitalo, Pyry A J; Calvier, Elisa A M; Aarons, Leon; Krekels, Elke H J; Knibbe, Catherijne A J

2018-03-23

In covariate (sub)models of population pharmacokinetic models, most covariates are normalized to the median value; however, for body weight, normalization to 70 kg or 1 kg is often applied. In this article, we illustrate the impact of normalization weight on the precision of population clearance (CL pop ) parameter estimates. The influence of normalization weight (70, 1 kg or median weight) on the precision of the CL pop estimate, expressed as relative standard error (RSE), was illustrated using data from a pharmacokinetic study in neonates with a median weight of 2.7 kg. In addition, a simulation study was performed to show the impact of normalization to 70 kg in pharmacokinetic studies with paediatric or obese patients. The RSE of the CL pop parameter estimate in the neonatal dataset was lowest with normalization to median weight (8.1%), compared with normalization to 1 kg (10.5%) or 70 kg (48.8%). Typical clearance (CL) predictions were independent of the normalization weight used. Simulations showed that the increase in RSE of the CL pop estimate with 70 kg normalization was highest in studies with a narrow weight range and a geometric mean weight away from 70 kg. When, instead of normalizing with median weight, a weight outside the observed range is used, the RSE of the CL pop estimate will be inflated, and should therefore not be used for model selection. Instead, established mathematical principles can be used to calculate the RSE of the typical CL (CL TV ) at a relevant weight to evaluate the precision of CL predictions.

The Role of Small Impoundments on Flow Alteration Within River Networks

NASA Astrophysics Data System (ADS)

Brogan, C. O.; Keys, T.; Scott, D.; Burgholzer, R.; Kleiner, J.

2017-12-01

Numerous water quality and quantity models have been established to illustrate the ecologic and hydrologic effects of large reservoirs. Smaller, unregulated ponds are often assumed to have a negligible impact on watershed flow regimes even though they overwhelmingly outnumber larger waterbodies. Individually, these small impoundments impart merely a fraction of the flow alteration larger reservoirs do; however, a network of ponds may act cumulatively to alter the flow regime. Many models have attempted to study smaller impoundments but rely on selectively available rating curves or bathymetry surveys. This study created a generalized process to model impoundments of varying size across a 58 square mile watershed exclusively using satellite imagery and publicly available information as inputs. With information drawn from public Army Corps of Engineers databases and LiDAR surveys, it was found that impoundment surface and drainage area served as useful explanatory variables, capable of predicting both pond bathymetry and outlet structure area across the 37 waterbodies modeled within the study area. Working within a flow routing model with inputs from the Chesapeake Bay HSPF model and verified with USGS gauge data, flow simulations were conducted with increasing number of impoundments to quantify how small ponds affect the overall flow regime. As the total impounded volume increased, simulations showed a notable reduction in both low and peak flows. Medium-sized floods increased as the network of ponds and reservoirs stabilized the catchment's streamflow. The results of this study illustrate the importance of including ponded waters into river corridor models to improve downstream management of both water quantity and quality.

Fractional Brownian motion and long term clinical trial recruitment

PubMed Central

Zhang, Qiang; Lai, Dejian

2015-01-01

Prediction of recruitment in clinical trials has been a challenging task. Many methods have been studied, including models based on Poisson process and its large sample approximation by Brownian motion (BM), however, when the independent incremental structure is violated for BM model, we could use fractional Brownian motion to model and approximate the underlying Poisson processes with random rates. In this paper, fractional Brownian motion (FBM) is considered for such conditions and compared to BM model with illustrated examples from different trials and simulations. PMID:26347306

A model of economic growth with physical and human capital: The role of time delays.

PubMed

Gori, Luca; Guerrini, Luca; Sodini, Mauro

2016-09-01

This article aims at analysing a two-sector economic growth model with discrete delays. The focus is on the dynamic properties of the emerging system. In particular, this study concentrates on the stability properties of the stationary solution, characterised by analytical results and geometrical techniques (stability crossing curves), and the conditions under which oscillatory dynamics emerge (through Hopf bifurcations). In addition, this article proposes some numerical simulations to illustrate the behaviour of the system when the stationary equilibrium is unstable.

Building a Simulation Toolkit for Wireless Mesh Clusters and Evaluating the Suitability of Different Families of Ad Hoc Protocols for the Tactical Network Topology

DTIC Science & Technology

2005-03-01

International Conference On Computers Communications and Networks, 153- 161, Lafayette, L.A. Deitel , H.M. and P.J. Deitel . 2003. C++ How to Program ...of this study is to provide an additional performance evaluation technique for the TNT program of Naval Postgraduate School. The current approach...case are the PAMAS and DBTMA protocols. Toh (2002) illustrates how these approaches succeed in solving the problem. In order to address all the

Fractional Brownian motion and long term clinical trial recruitment.

PubMed

Zhang, Qiang; Lai, Dejian

2011-05-01

Prediction of recruitment in clinical trials has been a challenging task. Many methods have been studied, including models based on Poisson process and its large sample approximation by Brownian motion (BM), however, when the independent incremental structure is violated for BM model, we could use fractional Brownian motion to model and approximate the underlying Poisson processes with random rates. In this paper, fractional Brownian motion (FBM) is considered for such conditions and compared to BM model with illustrated examples from different trials and simulations.

A hyperbolastic type-I diffusion process: Parameter estimation by means of the firefly algorithm.

PubMed

Barrera, Antonio; Román-Román, Patricia; Torres-Ruiz, Francisco

2018-01-01

A stochastic diffusion process, whose mean function is a hyperbolastic curve of type I, is presented. The main characteristics of the process are studied and the problem of maximum likelihood estimation for the parameters of the process is considered. To this end, the firefly metaheuristic optimization algorithm is applied after bounding the parametric space by a stagewise procedure. Some examples based on simulated sample paths and real data illustrate this development. Copyright © 2017 Elsevier B.V. All rights reserved.

On prediction of genetic values in marker-assisted selection.

PubMed Central

Lange, C; Whittaker, J C

2001-01-01

We suggest a new approximation for the prediction of genetic values in marker-assisted selection. The new approximation is compared to the standard approach. It is shown that the new approach will often provide substantially better prediction of genetic values; furthermore the new approximation avoids some of the known statistical problems of the standard approach. The advantages of the new approach are illustrated by a simulation study in which the new approximation outperforms both the standard approach and phenotypic selection. PMID:11729177

Analysis of multimode fiber bundles for endoscopic spectral-domain optical coherence tomography

PubMed Central

Risi, Matthew D.; Makhlouf, Houssine; Rouse, Andrew R.; Gmitro, Arthur F.

2016-01-01

A theoretical analysis of the use of a fiber bundle in spectral-domain optical coherence tomography (OCT) systems is presented. The fiber bundle enables a flexible endoscopic design and provides fast, parallelized acquisition of the OCT data. However, the multimode characteristic of the fibers in the fiber bundle affects the depth sensitivity of the imaging system. A description of light interference in a multimode fiber is presented along with numerical simulations and experimental studies to illustrate the theoretical analysis. PMID:25967012

Basic Studies on Electro-Energetic Physics (EEP) Weapons Technologies

DTIC Science & Technology

2015-01-15

Po\\\\ered Microwa\\e. High Energ) Laser. Charged Particle Beams. and II) pcrsonic Rail guns . Using these representations. wargame simulations of’ arious...Projectile length = 30 in (76 cm) • Barrel length = 10 m • Muzzle velocity = 2,100 m/s To understand how such an advanced weapon compares with conventional...weaponry, it is illustrating to compare these figures with the M-1 Abrams M256 120mm gun firing a M829A1 kinetic energy round Page 5 • Muzzle

A maximum pseudo-profile likelihood estimator for the Cox model under length-biased sampling

PubMed Central

Huang, Chiung-Yu; Qin, Jing; Follmann, Dean A.

2012-01-01

This paper considers semiparametric estimation of the Cox proportional hazards model for right-censored and length-biased data arising from prevalent sampling. To exploit the special structure of length-biased sampling, we propose a maximum pseudo-profile likelihood estimator, which can handle time-dependent covariates and is consistent under covariate-dependent censoring. Simulation studies show that the proposed estimator is more efficient than its competitors. A data analysis illustrates the methods and theory. PMID:23843659

Closed-Loop Aeromaneuvering for a Mars Precision Landing

NASA Technical Reports Server (NTRS)

Smith, Roy; Boussalis, Dhemetrios; Hadaegh, Fred Y.

1997-01-01

Controlled aeromaneuvering is considered as a means of achieving a precisely targeted landing on Mars. This paper presents a preliminary study of the control issues. The candidate vehicle is the existing Mars Pathfinder augmented with roll thrusters and a center of mass offset actuator. These allow control of both bank angle and lift force, giving the ability to control the range and cross-track during the aeromaneuvering entry. A preliminary control system structure is proposed and a design simulation illustrates significant targeting improvement under closed-loop control.

Distributed Wavelet Transform for Irregular Sensor Network Grids

DTIC Science & Technology

2005-01-01

implement it in a multi-hop, wireless sensor network ; and illustrate with several simulations. The new transform performs on par with conventional wavelet methods in a head-to-head comparison on a regular grid of sensor nodes.

Integral image rendering procedure for aberration correction and size measurement.

PubMed

Sommer, Holger; Ihrig, Andreas; Ebenau, Melanie; Flühs, Dirk; Spaan, Bernhard; Eichmann, Marion

2014-05-20

The challenge in rendering integral images is to use as much information preserved by the light field as possible to reconstruct a captured scene in a three-dimensional way. We propose a rendering algorithm based on the projection of rays through a detailed simulation of the optical path, considering all the physical properties and locations of the optical elements. The rendered images contain information about the correct size of imaged objects without the need to calibrate the imaging device. Additionally, aberrations of the optical system may be corrected, depending on the setup of the integral imaging device. We show simulation data that illustrates the aberration correction ability and experimental data from our plenoptic camera, which illustrates the capability of our proposed algorithm to measure size and distance. We believe this rendering procedure will be useful in the future for three-dimensional ophthalmic imaging of the human retina.

Channel Training for Analog FDD Repeaters: Optimal Estimators and Cramér-Rao Bounds

NASA Astrophysics Data System (ADS)

Wesemann, Stefan; Marzetta, Thomas L.

2017-12-01

For frequency division duplex channels, a simple pilot loop-back procedure has been proposed that allows the estimation of the UL & DL channels at an antenna array without relying on any digital signal processing at the terminal side. For this scheme, we derive the maximum likelihood (ML) estimators for the UL & DL channel subspaces, formulate the corresponding Cram\\'er-Rao bounds and show the asymptotic efficiency of both (SVD-based) estimators by means of Monte Carlo simulations. In addition, we illustrate how to compute the underlying (rank-1) SVD with quadratic time complexity by employing the power iteration method. To enable power control for the data transmission, knowledge of the channel gains is needed. Assuming that the UL & DL channels have on average the same gain, we formulate the ML estimator for the channel norm, and illustrate its robustness against strong noise by means of simulations.

Aircraft parameter estimation

NASA Technical Reports Server (NTRS)

Iliff, Kenneth W.

1987-01-01

The aircraft parameter estimation problem is used to illustrate the utility of parameter estimation, which applies to many engineering and scientific fields. Maximum likelihood estimation has been used to extract stability and control derivatives from flight data for many years. This paper presents some of the basic concepts of aircraft parameter estimation and briefly surveys the literature in the field. The maximum likelihood estimator is discussed, and the basic concepts of minimization and estimation are examined for a simple simulated aircraft example. The cost functions that are to be minimized during estimation are defined and discussed. Graphic representations of the cost functions are given to illustrate the minimization process. Finally, the basic concepts are generalized, and estimation from flight data is discussed. Some of the major conclusions for the simulated example are also developed for the analysis of flight data from the F-14, highly maneuverable aircraft technology (HiMAT), and space shuttle vehicles.

Presenting simulation results in a nested loop plot.

PubMed

Rücker, Gerta; Schwarzer, Guido

2014-12-12

Statisticians investigate new methods in simulations to evaluate their properties for future real data applications. Results are often presented in a number of figures, e.g., Trellis plots. We had conducted a simulation study on six statistical methods for estimating the treatment effect in binary outcome meta-analyses, where selection bias (e.g., publication bias) was suspected because of apparent funnel plot asymmetry. We varied five simulation parameters: true treatment effect, extent of selection, event proportion in control group, heterogeneity parameter, and number of studies in meta-analysis. In combination, this yielded a total number of 768 scenarios. To present all results using Trellis plots, 12 figures were needed. Choosing bias as criterion of interest, we present a 'nested loop plot', a diagram type that aims to have all simulation results in one plot. The idea was to bring all scenarios into a lexicographical order and arrange them consecutively on the horizontal axis of a plot, whereas the treatment effect estimate is presented on the vertical axis. The plot illustrates how parameters simultaneously influenced the estimate. It can be combined with a Trellis plot in a so-called hybrid plot. Nested loop plots may also be applied to other criteria such as the variance of estimation. The nested loop plot, similar to a time series graph, summarizes all information about the results of a simulation study with respect to a chosen criterion in one picture and provides a suitable alternative or an addition to Trellis plots.

X-ray-induced acoustic computed tomography for 3D breast imaging: A simulation study.

PubMed

Tang, Shanshan; Yang, Kai; Chen, Yong; Xiang, Liangzhong

2018-04-01

The objective of this study is to demonstrate the feasibility of x-ray-induced acoustic computed tomography (XACT) for early breast un-palpable microcalcification (μCa) detection in three dimensions (3D). The proposed technique provides the true 3D imaging for breast volume which overcomes the disadvantage of the tissue superposition in mammography. A 3D breast digital phantom was rendered from two-dimensional (2D) breast CT slices. Three different tissue types, including the skin, adipose tissue, and glandular tissue, were labeled in the 3D breast phantom. μCas were manually embedded in different locations inside the breast phantom. For each tissue type, the initial pressure rise caused by the x-ray-induced acoustic (XA) effect was calculated according to its themoacoustic properties. The XA wave's propagation from the point of generation and its detection by ultrasound detector array were simulated by Matlab K-Wave toolbox. The 3D breast XACT volume with μCa was acquired without tissue superposition, and the system was characterized by μCas placed at different locations. The simulation results illustrated that the proposed breast XACT system has the ability to show the μCa cluster in 3D without any tissue superposition. Meanwhile, μCa as small as 100 μm in size can be detected with high imaging contrast, high signal to noise ratio (SNR), and high contrast to noise ratio (CNR). The dose required by the proposed XACT configuration was calculated to be 0.4 mGy for a 4.5 cm-thick compressed breast. This is one-tenth of the dose level of a typical two-view mammography for a breast with the same compression thickness. The initial exploration for the feasibility of 3D breast XACT has been conducted in this study. The system feasibility and characterization were illustrated through a 3D breast phantom and simulation works. The 3D breast XACT with the proposed system configuration has great potential to be applied as a low-dose screening and diagnostic technique for early un-palpable lesion in the breast. © 2018 American Association of Physicists in Medicine.

Motions of Celestial Bodies; Computer simulations

NASA Astrophysics Data System (ADS)

Butikov, Eugene

2014-10-01

This book is written for a wide range of graduate and undergraduate students studying various courses in physics and astronomy. It is accompanied by the award winning educational software package 'Planets and Satellites' developed by the author. This text, together with the interactive software, is intended to help students learn and understand the fundamental concepts and the laws of physics as they apply to the fascinating world of the motions of natural and artificial celestial bodies. The primary aim of the book is the understanding of the foundations of classical and modern physics, while their application to celestial mechanics is used to illustrate these concepts. The simulation programs create vivid and lasting impressions of the investigated phenomena, and provide students and their instructors with a powerful tool which enables them to explore basic concepts that are difficult to study and teach in an abstract conventional manner. Students can work with the text and software at a pace they can enjoy, varying parameters of the simulated systems. Each section of the textbook is supplied with questions, exercises, and problems. Using some of the suggested simulation programs, students have an opportunity to perform interesting mini-research projects in physics and astronomy.

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

NASA Astrophysics Data System (ADS)

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

2016-12-01

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

Ionospheric Trend Over Wuhan During 1947-2017: Comparison Between Simulation and Observation

NASA Astrophysics Data System (ADS)

Yue, Xinan; Hu, Lianhuan; Wei, Yong; Wan, Weixing; Ning, Baiqi

2018-02-01

Since Roble and Dickinson (1989), who drew the community's attention about the greenhouse gas effect on the ionosphere, huge efforts have been implemented on ionospheric climate study. However, direct comparison between observations and simulations is still rare. Recently, the Wuhan ionosonde observations were digitized and standardized through unified method back to 1947. In this study, the NCAR-TIEGCM was driven by Mauna Loa Observatory observed CO2 level and International Geomagnetic Reference Field (IGRF) geomagnetic field to simulate their effects on ionospheric long-term trend over Wuhan. Only March equinox was considered in both data analysis and simulation. Simulation results show that the CO2 and geomagnetic field have comparable effect on hmF2 trend, while geomagnetic field effect is stronger than CO2 on foF2 trend over Wuhan. Both factors result in obvious but different diurnal variations of foF2/hmF2 long-term trends. The geomagnetic field effect is nonlinear versus years since the long-term variation of geomagnetic field intensity and orientation is complex. Mean value of foF2 and hmF2 trend is (-0.0021 MHz/yr, -0.106 km/yr) and (-0.0022 MHz/yr, -0.0763 km/yr) for observation and simulation, respectively. Regarding the diurnal variation of the trend, the simulation accords well with that of observation except hmF2 results around 12 UT. Overall, good agreement between observation and simulation illustrates the good quality of Wuhan ionosonde long-term data and the validity of ancient ionosphere reconstruction based on realistic indices driving simulation.

Material point method of modelling and simulation of reacting flow of oxygen

NASA Astrophysics Data System (ADS)

Mason, Matthew; Chen, Kuan; Hu, Patrick G.

2014-07-01

Aerospace vehicles are continually being designed to sustain flight at higher speeds and higher altitudes than previously attainable. At hypersonic speeds, gases within a flow begin to chemically react and the fluid's physical properties are modified. It is desirable to model these effects within the Material Point Method (MPM). The MPM is a combined Eulerian-Lagrangian particle-based solver that calculates the physical properties of individual particles and uses a background grid for information storage and exchange. This study introduces chemically reacting flow modelling within the MPM numerical algorithm and illustrates a simple application using the AeroElastic Material Point Method (AEMPM) code. The governing equations of reacting flows are introduced and their direct application within an MPM code is discussed. A flow of 100% oxygen is illustrated and the results are compared with independently developed computational non-equilibrium algorithms. Observed trends agree well with results from an independently developed source.

Measuring continuous baseline covariate imbalances in clinical trial data

PubMed Central

Ciolino, Jody D.; Martin, Renee’ H.; Zhao, Wenle; Hill, Michael D.; Jauch, Edward C.; Palesch, Yuko Y.

2014-01-01

This paper presents and compares several methods of measuring continuous baseline covariate imbalance in clinical trial data. Simulations illustrate that though the t-test is an inappropriate method of assessing continuous baseline covariate imbalance, the test statistic itself is a robust measure in capturing imbalance in continuous covariate distributions. Guidelines to assess effects of imbalance on bias, type I error rate, and power for hypothesis test for treatment effect on continuous outcomes are presented, and the benefit of covariate-adjusted analysis (ANCOVA) is also illustrated. PMID:21865270

Impact of Spatial Soil and Climate Input Data Aggregation on Regional Yield Simulations

PubMed Central

Hoffmann, Holger; Zhao, Gang; Asseng, Senthold; Bindi, Marco; Biernath, Christian; Constantin, Julie; Coucheney, Elsa; Dechow, Rene; Doro, Luca; Eckersten, Henrik; Gaiser, Thomas; Grosz, Balázs; Heinlein, Florian; Kassie, Belay T.; Kersebaum, Kurt-Christian; Klein, Christian; Kuhnert, Matthias; Lewan, Elisabet; Moriondo, Marco; Nendel, Claas; Priesack, Eckart; Raynal, Helene; Roggero, Pier P.; Rötter, Reimund P.; Siebert, Stefan; Specka, Xenia; Tao, Fulu; Teixeira, Edmar; Trombi, Giacomo; Wallach, Daniel; Weihermüller, Lutz; Yeluripati, Jagadeesh; Ewert, Frank

2016-01-01

We show the error in water-limited yields simulated by crop models which is associated with spatially aggregated soil and climate input data. Crop simulations at large scales (regional, national, continental) frequently use input data of low resolution. Therefore, climate and soil data are often generated via averaging and sampling by area majority. This may bias simulated yields at large scales, varying largely across models. Thus, we evaluated the error associated with spatially aggregated soil and climate data for 14 crop models. Yields of winter wheat and silage maize were simulated under water-limited production conditions. We calculated this error from crop yields simulated at spatial resolutions from 1 to 100 km for the state of North Rhine-Westphalia, Germany. Most models showed yields biased by <15% when aggregating only soil data. The relative mean absolute error (rMAE) of most models using aggregated soil data was in the range or larger than the inter-annual or inter-model variability in yields. This error increased further when both climate and soil data were aggregated. Distinct error patterns indicate that the rMAE may be estimated from few soil variables. Illustrating the range of these aggregation effects across models, this study is a first step towards an ex-ante assessment of aggregation errors in large-scale simulations. PMID:27055028

Impact of Spatial Soil and Climate Input Data Aggregation on Regional Yield Simulations.

PubMed

Hoffmann, Holger; Zhao, Gang; Asseng, Senthold; Bindi, Marco; Biernath, Christian; Constantin, Julie; Coucheney, Elsa; Dechow, Rene; Doro, Luca; Eckersten, Henrik; Gaiser, Thomas; Grosz, Balázs; Heinlein, Florian; Kassie, Belay T; Kersebaum, Kurt-Christian; Klein, Christian; Kuhnert, Matthias; Lewan, Elisabet; Moriondo, Marco; Nendel, Claas; Priesack, Eckart; Raynal, Helene; Roggero, Pier P; Rötter, Reimund P; Siebert, Stefan; Specka, Xenia; Tao, Fulu; Teixeira, Edmar; Trombi, Giacomo; Wallach, Daniel; Weihermüller, Lutz; Yeluripati, Jagadeesh; Ewert, Frank

2016-01-01

We show the error in water-limited yields simulated by crop models which is associated with spatially aggregated soil and climate input data. Crop simulations at large scales (regional, national, continental) frequently use input data of low resolution. Therefore, climate and soil data are often generated via averaging and sampling by area majority. This may bias simulated yields at large scales, varying largely across models. Thus, we evaluated the error associated with spatially aggregated soil and climate data for 14 crop models. Yields of winter wheat and silage maize were simulated under water-limited production conditions. We calculated this error from crop yields simulated at spatial resolutions from 1 to 100 km for the state of North Rhine-Westphalia, Germany. Most models showed yields biased by <15% when aggregating only soil data. The relative mean absolute error (rMAE) of most models using aggregated soil data was in the range or larger than the inter-annual or inter-model variability in yields. This error increased further when both climate and soil data were aggregated. Distinct error patterns indicate that the rMAE may be estimated from few soil variables. Illustrating the range of these aggregation effects across models, this study is a first step towards an ex-ante assessment of aggregation errors in large-scale simulations.

Multiscale simulations of patchy particle systems combining Molecular Dynamics, Path Sampling and Green's Function Reaction Dynamics

NASA Astrophysics Data System (ADS)

Bolhuis, Peter

Important reaction-diffusion processes, such as biochemical networks in living cells, or self-assembling soft matter, span many orders in length and time scales. In these systems, the reactants' spatial dynamics at mesoscopic length and time scales of microns and seconds is coupled to the reactions between the molecules at microscopic length and time scales of nanometers and milliseconds. This wide range of length and time scales makes these systems notoriously difficult to simulate. While mean-field rate equations cannot describe such processes, the mesoscopic Green's Function Reaction Dynamics (GFRD) method enables efficient simulation at the particle level provided the microscopic dynamics can be integrated out. Yet, many processes exhibit non-trivial microscopic dynamics that can qualitatively change the macroscopic behavior, calling for an atomistic, microscopic description. The recently developed multiscale Molecular Dynamics Green's Function Reaction Dynamics (MD-GFRD) approach combines GFRD for simulating the system at the mesocopic scale where particles are far apart, with microscopic Molecular (or Brownian) Dynamics, for simulating the system at the microscopic scale where reactants are in close proximity. The association and dissociation of particles are treated with rare event path sampling techniques. I will illustrate the efficiency of this method for patchy particle systems. Replacing the microscopic regime with a Markov State Model avoids the microscopic regime completely. The MSM is then pre-computed using advanced path-sampling techniques such as multistate transition interface sampling. I illustrate this approach on patchy particle systems that show multiple modes of binding. MD-GFRD is generic, and can be used to efficiently simulate reaction-diffusion systems at the particle level, including the orientational dynamics, opening up the possibility for large-scale simulations of e.g. protein signaling networks.

Understanding G Protein-Coupled Receptor Allostery via Molecular Dynamics Simulations: Implications for Drug Discovery.

PubMed

Basith, Shaherin; Lee, Yoonji; Choi, Sun

2018-01-01

Unraveling the mystery of protein allostery has been one of the greatest challenges in both structural and computational biology. However, recent advances in computational methods, particularly molecular dynamics (MD) simulations, have led to its utility as a powerful and popular tool for the study of protein allostery. By capturing the motions of a protein's constituent atoms, simulations can enable the discovery of allosteric hot spots and the determination of the mechanistic basis for allostery. These structural and dynamic studies can provide a foundation for a wide range of applications, including rational drug design and protein engineering. In our laboratory, the use of MD simulations and network analysis assisted in the elucidation of the allosteric hotspots and intracellular signal transduction of G protein-coupled receptors (GPCRs), primarily on one of the adenosine receptor subtypes, A 2A adenosine receptor (A 2A AR). In this chapter, we describe a method for calculating the map of allosteric signal flow in different GPCR conformational states and illustrate how these concepts have been utilized in understanding the mechanism of GPCR allostery. These structural studies will provide valuable insights into the allosteric and orthosteric modulations that would be of great help to design novel drugs targeting GPCRs in pathological states.

Cognitive simulation as a tool for cognitive task analysis.

PubMed

Roth, E M; Woods, D D; Pople, H E

1992-10-01

Cognitive simulations are runnable computer programs that represent models of human cognitive activities. We show how one cognitive simulation built as a model of some of the cognitive processes involved in dynamic fault management can be used in conjunction with small-scale empirical data on human performance to uncover the cognitive demands of a task, to identify where intention errors are likely to occur, and to point to improvements in the person-machine system. The simulation, called Cognitive Environment Simulation or CES, has been exercised on several nuclear power plant accident scenarios. Here we report one case to illustrate how a cognitive simulation tool such as CES can be used to clarify the cognitive demands of a problem-solving situation as part of a cognitive task analysis.

Nexus: A modular workflow management system for quantum simulation codes

NASA Astrophysics Data System (ADS)

Krogel, Jaron T.

2016-01-01

The management of simulation workflows represents a significant task for the individual computational researcher. Automation of the required tasks involved in simulation work can decrease the overall time to solution and reduce sources of human error. A new simulation workflow management system, Nexus, is presented to address these issues. Nexus is capable of automated job management on workstations and resources at several major supercomputing centers. Its modular design allows many quantum simulation codes to be supported within the same framework. Current support includes quantum Monte Carlo calculations with QMCPACK, density functional theory calculations with Quantum Espresso or VASP, and quantum chemical calculations with GAMESS. Users can compose workflows through a transparent, text-based interface, resembling the input file of a typical simulation code. A usage example is provided to illustrate the process.

Aerosol and Urban Land Use Effect on Rainfall Around Cities in Indo-Gangetic Basin From Observations and Cloud Resolving Model Simulations

NASA Astrophysics Data System (ADS)

Sarangi, Chandan; Tripathi, S. N.; Qian, Yun; Kumar, Shailendra; Ruby Leung, L.

2018-04-01

Coupling of urban land use land cover (LULC) and aerosol loading on rainfall around cities in the Gangetic Basin (GB) is examined here. Long-term observations illustrate more rainfall at urban core and climatological downwind regions compared to the upwind regions of Kanpur, a metropolitan area located in central GB. In addition, analysis of a 15 day cloud resolving simulation using the Weather Research and Forecasting model also illustrated similar rainfall pattern around other major cities in the GB. Interestingly, the enhancement of downwind rainfall was greater than that over urban regions, and it was positively associated with both the urban area of the city and ambient aerosol loading during the propagating storm. Further, to gain a process-level understanding, a typical storm that propagated northwestward across Kanpur was simulated using Weather Research and Forecasting under three different scenarios. Case 1 has realistic LULC representation of Kanpur, while the grids representing the Kanpur urban region were replaced by cropland LULC pattern in Case 2. Comparison illustrated that urban heat island effect caused convergence of winds and moisture in the lower troposphere, which enhances convection over urban region and induced more rainfall over the urban core compared to upwind regions. Case 3 is similar to Case 1 but lower aerosol concentration (by a factor of 100) over the storm region. Analysis shows that aerosol-induced microphysical changes delay the initiation of warm rain (over the upwind region) but enhance ice phase particle formation in latter stages (over the urban and downwind regions) resulting in increase in downwind rainfall.

Bayesian model reduction and empirical Bayes for group (DCM) studies.

PubMed

Friston, Karl J; Litvak, Vladimir; Oswal, Ashwini; Razi, Adeel; Stephan, Klaas E; van Wijk, Bernadette C M; Ziegler, Gabriel; Zeidman, Peter

2016-03-01

This technical note describes some Bayesian procedures for the analysis of group studies that use nonlinear models at the first (within-subject) level - e.g., dynamic causal models - and linear models at subsequent (between-subject) levels. Its focus is on using Bayesian model reduction to finesse the inversion of multiple models of a single dataset or a single (hierarchical or empirical Bayes) model of multiple datasets. These applications of Bayesian model reduction allow one to consider parametric random effects and make inferences about group effects very efficiently (in a few seconds). We provide the relatively straightforward theoretical background to these procedures and illustrate their application using a worked example. This example uses a simulated mismatch negativity study of schizophrenia. We illustrate the robustness of Bayesian model reduction to violations of the (commonly used) Laplace assumption in dynamic causal modelling and show how its recursive application can facilitate both classical and Bayesian inference about group differences. Finally, we consider the application of these empirical Bayesian procedures to classification and prediction. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

The Volcanic Hazards Simulation: Students behaving expert-like when faced with challenging, authentic tasks during a simulated Volcanic Crisis

NASA Astrophysics Data System (ADS)

Dohaney, J. A.; kennedy, B.; Brogt, E.; Gravley, D.; Wilson, T.; O'Steen, B.

2011-12-01

This qualitative study investigates behaviors and experiences of upper-year geosciences undergraduate students during an intensive role-play simulation, in which the students interpret geological data streams and manage a volcanic crisis event. We present the development of the simulation, its academic tasks, (group) role assignment strategies and planned facilitator interventions over three iterations. We aim to develop and balance an authentic, intensive and highly engaging capstone activity for volcanology and geo-hazard courses. Interview data were collected from academic and professional experts in the fields of Volcanology and Hazard Management (n=11) in order to characterize expertise in the field, characteristics of key roles in the simulation, and to validate the authenticity of tasks and scenarios. In each iteration, observations and student artifacts were collected (total student participants: 68) along with interviews (n=36) and semi-structured, open-ended questionnaires (n=26). Our analysis of these data indicates that increasing the structure (i.e. organization, role-specific tasks and responsibilities) lessens non-productive group dynamics, which allows for an increase in difficulty of academic tasks within the simulation without increasing the cognitive load on students. Under these conditions, students exhibit professional expert-like behaviours, in particular in the quality of decision-making, communication skills and task-efficiency. In addition to illustrating the value of using this simulation to teach geosciences concepts, this study has implications for many complex situated-learning activities.

The (human) science of medical virtual learning environments

PubMed Central

Stone, Robert J.

2011-01-01

The uptake of virtual simulation technologies in both military and civilian surgical contexts has been both slow and patchy. The failure of the virtual reality community in the 1990s and early 2000s to deliver affordable and accessible training systems stems not only from an obsessive quest to develop the ‘ultimate’ in so-called ‘immersive’ hardware solutions, from head-mounted displays to large-scale projection theatres, but also from a comprehensive lack of attention to the needs of the end users. While many still perceive the science of simulation to be defined by technological advances, such as computing power, specialized graphics hardware, advanced interactive controllers, displays and so on, the true science underpinning simulation—the science that helps to guarantee the transfer of skills from the simulated to the real—is that of human factors, a well-established discipline that focuses on the abilities and limitations of the end user when designing interactive systems, as opposed to the more commercially explicit components of technology. Based on three surgical simulation case studies, the importance of a human factors approach to the design of appropriate simulation content and interactive hardware for medical simulation is illustrated. The studies demonstrate that it is unnecessary to pursue real-world fidelity in all instances in order to achieve psychological fidelity—the degree to which the simulated tasks reproduce and foster knowledge, skills and behaviours that can be reliably transferred to real-world training applications. PMID:21149363

Evaluating forest management policies by parametric linear programing

Treesearch

Daniel I. Navon; Richard J. McConnen

1967-01-01

An analytical and simulation technique, parametric linear programing explores alternative conditions and devises an optimal management plan for each condition. Its application in solving policy-decision problems in the management of forest lands is illustrated in an example.

Spacecraft VHF Radio Propagation Analysis in Ocean Environments Including Atmospheric Effects

NASA Technical Reports Server (NTRS)

Hwu, Shian; Moreno, Gerardo; Desilva, Kanishka; Jih, CIndy

2010-01-01

The Communication Systems Simulation Laboratory (CSSL) at the National Aeronautics and Space Administration (NASA)/Johnson Space Center (JSC) is tasked to perform spacecraft and ground network communication system simulations. The CSSL has developed simulation tools that model spacecraft communication systems and the space/ground environment in which they operate. This paper is to analyze a spacecraft's very high frequency (VHF) radio signal propagation and the impact to performance when landing in an ocean. Very little research work has been done for VHF radio systems in a maritime environment. Rigorous Radio Frequency (RF) modeling/simulation techniques were employed for various environmental effects. The simulation results illustrate the significance of the environmental effects on the VHF radio system performance.

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

Utilization of simulation tools in the HL-20 conceptual design process. [passenger-carrying lifting body portion of Personnel Launch System

NASA Technical Reports Server (NTRS)

Jackson, E. B.; Powell, Richard W.; Ragsdale, W. A.

1991-01-01

The role of simulations in the design of the HL-20, the crew-carrying unpowered lifting-body component of the NASA Personnel Launch System, is reviewed and illustrated with drawings and diagrams. Detailed consideration is given to the overall implementation of a real-time simulation of the HL-20 approach and landing phase, the baseline and experimental control laws used in the flight-control system, autoland guidance and control laws (vertical and lateral steering), the control-surface mixer and actuator model, and simulation results. The simulations allowed identification and correction of design problems with respect to the position of the landing gear and the original maximum L/D ratio of 3.2.

Numerical Simulations Using the Immersed Boundary Technique

NASA Technical Reports Server (NTRS)

Piomelli, Ugo; Balaras, Elias

1997-01-01

The immersed-boundary method can be used to simulate flows around complex geometries within a Cartesian grid. This method has been used quite extensively in low Reynolds-number flows, and is now being applied to turbulent flows more frequently. The technique will be discussed, and three applications of the method will be presented, with increasing complexity. to illustrate the potential and limitations of the method, and some of the directions for future work.

Fast simulation techniques for switching converters

NASA Technical Reports Server (NTRS)

King, Roger J.

1987-01-01

Techniques for simulating a switching converter are examined. The state equations for the equivalent circuits, which represent the switching converter, are presented and explained. The uses of the Newton-Raphson iteration, low ripple approximation, half-cycle symmetry, and discrete time equations to compute the interval durations are described. An example is presented in which these methods are illustrated by applying them to a parallel-loaded resonant inverter with three equivalent circuits for its continuous mode of operation.

Expanding the calculation of activation volumes: Self-diffusion in liquid water

NASA Astrophysics Data System (ADS)

Piskulich, Zeke A.; Mesele, Oluwaseun O.; Thompson, Ward H.

2018-04-01

A general method for calculating the dependence of dynamical time scales on macroscopic thermodynamic variables from a single set of simulations is presented. The approach is applied to the pressure dependence of the self-diffusion coefficient of liquid water as a particularly useful illustration. It is shown how the activation volume associated with diffusion can be obtained directly from simulations at a single pressure, avoiding approximations that are typically invoked.

A new method for qualitative simulation of water resources systems: 2. Applications

NASA Astrophysics Data System (ADS)

Antunes, M. P.; Seixas, M. J.; Camara, A. S.; Pinheiro, M.

1987-11-01

SLIN (Simulação Linguistica) is a new method for qualitative dynamic simulation. As was presented previously (Camara et al., this issue), SLIN relies upon a categorical representation of variables which are manipulated by logical rules. Two applications to water resources systems are included to illustrate SLIN's potential usefulness: the environmental impact evaluation of a hydropower plant and the assessment of oil dispersion in the sea after a tanker wreck.

Designing image segmentation studies: Statistical power, sample size and reference standard quality.

PubMed

Gibson, Eli; Hu, Yipeng; Huisman, Henkjan J; Barratt, Dean C

2017-12-01

Segmentation algorithms are typically evaluated by comparison to an accepted reference standard. The cost of generating accurate reference standards for medical image segmentation can be substantial. Since the study cost and the likelihood of detecting a clinically meaningful difference in accuracy both depend on the size and on the quality of the study reference standard, balancing these trade-offs supports the efficient use of research resources. In this work, we derive a statistical power calculation that enables researchers to estimate the appropriate sample size to detect clinically meaningful differences in segmentation accuracy (i.e. the proportion of voxels matching the reference standard) between two algorithms. Furthermore, we derive a formula to relate reference standard errors to their effect on the sample sizes of studies using lower-quality (but potentially more affordable and practically available) reference standards. The accuracy of the derived sample size formula was estimated through Monte Carlo simulation, demonstrating, with 95% confidence, a predicted statistical power within 4% of simulated values across a range of model parameters. This corresponds to sample size errors of less than 4 subjects and errors in the detectable accuracy difference less than 0.6%. The applicability of the formula to real-world data was assessed using bootstrap resampling simulations for pairs of algorithms from the PROMISE12 prostate MR segmentation challenge data set. The model predicted the simulated power for the majority of algorithm pairs within 4% for simulated experiments using a high-quality reference standard and within 6% for simulated experiments using a low-quality reference standard. A case study, also based on the PROMISE12 data, illustrates using the formulae to evaluate whether to use a lower-quality reference standard in a prostate segmentation study. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Simulation Studies as Designed Experiments: The Comparison of Penalized Regression Models in the “Large p, Small n” Setting

PubMed Central

Chaibub Neto, Elias; Bare, J. Christopher; Margolin, Adam A.

2014-01-01

New algorithms are continuously proposed in computational biology. Performance evaluation of novel methods is important in practice. Nonetheless, the field experiences a lack of rigorous methodology aimed to systematically and objectively evaluate competing approaches. Simulation studies are frequently used to show that a particular method outperforms another. Often times, however, simulation studies are not well designed, and it is hard to characterize the particular conditions under which different methods perform better. In this paper we propose the adoption of well established techniques in the design of computer and physical experiments for developing effective simulation studies. By following best practices in planning of experiments we are better able to understand the strengths and weaknesses of competing algorithms leading to more informed decisions about which method to use for a particular task. We illustrate the application of our proposed simulation framework with a detailed comparison of the ridge-regression, lasso and elastic-net algorithms in a large scale study investigating the effects on predictive performance of sample size, number of features, true model sparsity, signal-to-noise ratio, and feature correlation, in situations where the number of covariates is usually much larger than sample size. Analysis of data sets containing tens of thousands of features but only a few hundred samples is nowadays routine in computational biology, where “omics” features such as gene expression, copy number variation and sequence data are frequently used in the predictive modeling of complex phenotypes such as anticancer drug response. The penalized regression approaches investigated in this study are popular choices in this setting and our simulations corroborate well established results concerning the conditions under which each one of these methods is expected to perform best while providing several novel insights. PMID:25289666

Using spatial principles to optimize distributed computing for enabling the physical science discoveries

PubMed Central

Yang, Chaowei; Wu, Huayi; Huang, Qunying; Li, Zhenlong; Li, Jing

2011-01-01

Contemporary physical science studies rely on the effective analyses of geographically dispersed spatial data and simulations of physical phenomena. Single computers and generic high-end computing are not sufficient to process the data for complex physical science analysis and simulations, which can be successfully supported only through distributed computing, best optimized through the application of spatial principles. Spatial computing, the computing aspect of a spatial cyberinfrastructure, refers to a computing paradigm that utilizes spatial principles to optimize distributed computers to catalyze advancements in the physical sciences. Spatial principles govern the interactions between scientific parameters across space and time by providing the spatial connections and constraints to drive the progression of the phenomena. Therefore, spatial computing studies could better position us to leverage spatial principles in simulating physical phenomena and, by extension, advance the physical sciences. Using geospatial science as an example, this paper illustrates through three research examples how spatial computing could (i) enable data intensive science with efficient data/services search, access, and utilization, (ii) facilitate physical science studies with enabling high-performance computing capabilities, and (iii) empower scientists with multidimensional visualization tools to understand observations and simulations. The research examples demonstrate that spatial computing is of critical importance to design computing methods to catalyze physical science studies with better data access, phenomena simulation, and analytical visualization. We envision that spatial computing will become a core technology that drives fundamental physical science advancements in the 21st century. PMID:21444779

Informing Hospital Change Processes through Visualization and Simulation: A Case Study at a Children's Emergency Clinic.

PubMed

Persson, Johanna; Dalholm, Elisabeth Hornyánszky; Johansson, Gerd

2014-01-01

To demonstrate the use of visualization and simulation tools in order to involve stakeholders and inform the process in hospital change processes, illustrated by an empirical study from a children's emergency clinic. Reorganization and redevelopment of a hospital is a complex activity that involves many stakeholders and demands. Visualization and simulation tools have proven useful for involving practitioners and eliciting relevant knowledge. More knowledge is desired about how these tools can be implemented in practice for hospital planning processes. A participatory planning process including practitioners and researchers was executed over a 3-year period to evaluate a combination of visualization and simulation tools to involve stakeholders in the planning process and to elicit knowledge about needs and requirements. The initial clinic proposal from the architect was discarded as a result of the empirical study. Much general knowledge about the needs of the organization was extracted by means of the adopted tools. Some of the tools proved to be more accessible than others for the practitioners participating in the study. The combination of tools added value to the process by presenting information in alternative ways and eliciting questions from different angles. Visualization and simulation tools inform a planning process (or other types of change processes) by providing the means to see beyond present demands and current work structures. Long-term involvement in combination with accessible tools is central for creating a participatory setting where the practitioners' knowledge guides the process. © 2014 Vendome Group, LLC.

Using spatial principles to optimize distributed computing for enabling the physical science discoveries.

PubMed

Yang, Chaowei; Wu, Huayi; Huang, Qunying; Li, Zhenlong; Li, Jing

2011-04-05

Contemporary physical science studies rely on the effective analyses of geographically dispersed spatial data and simulations of physical phenomena. Single computers and generic high-end computing are not sufficient to process the data for complex physical science analysis and simulations, which can be successfully supported only through distributed computing, best optimized through the application of spatial principles. Spatial computing, the computing aspect of a spatial cyberinfrastructure, refers to a computing paradigm that utilizes spatial principles to optimize distributed computers to catalyze advancements in the physical sciences. Spatial principles govern the interactions between scientific parameters across space and time by providing the spatial connections and constraints to drive the progression of the phenomena. Therefore, spatial computing studies could better position us to leverage spatial principles in simulating physical phenomena and, by extension, advance the physical sciences. Using geospatial science as an example, this paper illustrates through three research examples how spatial computing could (i) enable data intensive science with efficient data/services search, access, and utilization, (ii) facilitate physical science studies with enabling high-performance computing capabilities, and (iii) empower scientists with multidimensional visualization tools to understand observations and simulations. The research examples demonstrate that spatial computing is of critical importance to design computing methods to catalyze physical science studies with better data access, phenomena simulation, and analytical visualization. We envision that spatial computing will become a core technology that drives fundamental physical science advancements in the 21st century.

Numeric stratigraphic modeling: Testing sequence Numeric stratigraphic modeling: Testing sequence stratigraphic concepts using high resolution geologic examples

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

Armentrout, J.M.; Smith-Rouch, L.S.; Bowman, S.A.

1996-08-01

Numeric simulations based on integrated data sets enhance our understanding of depositional geometry and facilitate quantification of depositional processes. Numeric values tested against well-constrained geologic data sets can then be used in iterations testing each variable, and in predicting lithofacies distributions under various depositional scenarios using the principles of sequence stratigraphic analysis. The stratigraphic modeling software provides a broad spectrum of techniques for modeling and testing elements of the petroleum system. Using well-constrained geologic examples, variations in depositional geometry and lithofacies distributions between different tectonic settings (passive vs. active margin) and climate regimes (hothouse vs. icehouse) can provide insight tomore » potential source rock and reservoir rock distribution, maturation timing, migration pathways, and trap formation. Two data sets are used to illustrate such variations: both include a seismic reflection profile calibrated by multiple wells. The first is a Pennsylvanian mixed carbonate-siliciclastic system in the Paradox basin, and the second a Pliocene-Pleistocene siliciclastic system in the Gulf of Mexico. Numeric simulations result in geometry and facies distributions consistent with those interpreted using the integrated stratigraphic analysis of the calibrated seismic profiles. An exception occurs in the Gulf of Mexico study where the simulated sediment thickness from 3.8 to 1.6 Ma within an upper slope minibasin was less than that mapped using a regional seismic grid. Regional depositional patterns demonstrate that this extra thickness was probably sourced from out of the plane of the modeled transect, illustrating the necessity for three-dimensional constraints on two-dimensional modeling.« less

Steam and air co-injection in removing residual TCE in unsaturated layered sandy porous media.

PubMed

Peng, Sheng; Wang, Ning; Chen, Jiajun

2013-10-01

Steam and air co-injection is a promising technique for volatile and semi-volatile organic contaminant remediation in heterogeneous porous media. In this study, removal of trichloroethene (TCE) with steam-air co-injection was investigated through a series of 2D sandbox experiments with different layered sand structures, and through numerical simulations. The results show that a layered structure with coarse sand, in which steam and air convection are relatively rapid, resulted in a higher removal rate and a larger removal ratio than those observed in an experiment using finer sand; however, the difference was not significant, and the removal ratios from three experiments ranged from 85% to 94%. Slight downward movement of TCE was observed for Experiment 1 (TCE initially in a fine sand zone encased in a coarse sand), while no such movement was observed for Experiment 2 (TCE initially in two fine sand layers encased in a coarse sand) or 3 (TCE initially in a silty sand zone encased in a coarse sand). Simulations show accumulation of TCE at the interface of the layered sands, which indicates a capillary barrier effect in restraining the downward movement of TCE. This effect is illustrated further by a numerical experiment with homogeneous coarse sand, in which continuous downward TCE movement to the bottom of the sandbox was simulated. Another numerical experiment with higher water saturation was also conducted. The results illustrate a complicated influence of water saturation on TCE removal in a layered sand structure. Published by Elsevier B.V.

Multi-Dimensional Simulation of LWR Fuel Behavior in the BISON Fuel Performance Code

NASA Astrophysics Data System (ADS)

Williamson, R. L.; Capps, N. A.; Liu, W.; Rashid, Y. R.; Wirth, B. D.

2016-11-01

Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. To simulate this behavior requires a wide variety of material models that are often complex and nonlinear. The recently developed BISON code represents a powerful fuel performance simulation tool based on its material and physical behavior capabilities, finite-element versatility of spatial representation, and use of parallel computing. The code can operate in full three dimensional (3D) mode, as well as in reduced two dimensional (2D) modes, e.g., axisymmetric radial-axial ( R- Z) or plane radial-circumferential ( R- θ), to suit the application and to allow treatment of global and local effects. A BISON case study was used to illustrate analysis of Pellet Clad Mechanical Interaction failures from manufacturing defects using combined 2D and 3D analyses. The analysis involved commercial fuel rods and demonstrated successful computation of metrics of interest to fuel failures, including cladding peak hoop stress and strain energy density. In comparison with a failure threshold derived from power ramp tests, results corroborate industry analyses of the root cause of the pellet-clad interaction failures and illustrate the importance of modeling 3D local effects around fuel pellet defects, which can produce complex effects including cold spots in the cladding, stress concentrations, and hot spots in the fuel that can lead to enhanced cladding degradation such as hydriding, oxidation, CRUD formation, and stress corrosion cracking.