Computer Based Simulation of Laboratory Experiments.

ERIC Educational Resources Information Center

Edward, Norrie S.

1997-01-01

Examines computer based simulations of practical laboratory experiments in engineering. Discusses the aims and achievements of lab work (cognitive, process, psychomotor, and affective); types of simulations (model building and behavioral); and the strengths and weaknesses of simulations. Describes the development of a centrifugal pump simulation,…

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)

A Primer on Simulation and Gaming.

ERIC Educational Resources Information Center

Barton, Richard F.

In a primer intended for the administrative professions, for the behavioral sciences, and for education, simulation and its various aspects are defined, illustrated, and explained. Man-model simulation, man-computer simulation, all-computer simulation, and analysis are discussed as techniques for studying object systems (parts of the "real…

Functional requirements for design of the Space Ultrareliable Modular Computer (SUMC) system simulator

NASA Technical Reports Server (NTRS)

Curran, R. T.; Hornfeck, W. A.

1972-01-01

The functional requirements for the design of an interpretive simulator for the space ultrareliable modular computer (SUMC) are presented. A review of applicable existing computer simulations is included along with constraints on the SUMC simulator functional design. Input requirements, output requirements, and language requirements for the simulator are discussed in terms of a SUMC configuration which may vary according to the application.

Computer Simulation in Undergraduate Instruction: A Symposium.

ERIC Educational Resources Information Center

Street, Warren R.; And Others

These symposium papers discuss the instructional use of computers in psychology, with emphasis on computer-produced simulations. The first, by Rich Edwards, briefly outlines LABSIM, a general purpose system of FORTRAN programs which simulate data collection in more than a dozen experimental models in psychology and are designed to train students…

Tutorial: Parallel Computing of Simulation Models for Risk Analysis.

PubMed

Reilly, Allison C; Staid, Andrea; Gao, Michael; Guikema, Seth D

2016-10-01

Simulation models are widely used in risk analysis to study the effects of uncertainties on outcomes of interest in complex problems. Often, these models are computationally complex and time consuming to run. This latter point may be at odds with time-sensitive evaluations or may limit the number of parameters that are considered. In this article, we give an introductory tutorial focused on parallelizing simulation code to better leverage modern computing hardware, enabling risk analysts to better utilize simulation-based methods for quantifying uncertainty in practice. This article is aimed primarily at risk analysts who use simulation methods but do not yet utilize parallelization to decrease the computational burden of these models. The discussion is focused on conceptual aspects of embarrassingly parallel computer code and software considerations. Two complementary examples are shown using the languages MATLAB and R. A brief discussion of hardware considerations is located in the Appendix. © 2016 Society for Risk Analysis.

Computer simulation of on-orbit manned maneuvering unit operations

NASA Technical Reports Server (NTRS)

Stuart, G. M.; Garcia, K. D.

1986-01-01

Simulation of spacecraft on-orbit operations is discussed in reference to Martin Marietta's Space Operations Simulation laboratory's use of computer software models to drive a six-degree-of-freedom moving base carriage and two target gimbal systems. In particular, key simulation issues and related computer software models associated with providing real-time, man-in-the-loop simulations of the Manned Maneuvering Unit (MMU) are addressed with special attention given to how effectively these models and motion systems simulate the MMU's actual on-orbit operations. The weightless effects of the space environment require the development of entirely new devices for locomotion. Since the access to space is very limited, it is necessary to design, build, and test these new devices within the physical constraints of earth using simulators. The simulation method that is discussed here is the technique of using computer software models to drive a Moving Base Carriage (MBC) that is capable of providing simultaneous six-degree-of-freedom motions. This method, utilized at Martin Marietta's Space Operations Simulation (SOS) laboratory, provides the ability to simulate the operation of manned spacecraft, provides the pilot with proper three-dimensional visual cues, and allows training of on-orbit operations. The purpose here is to discuss significant MMU simulation issues, the related models that were developed in response to these issues and how effectively these models simulate the MMU's actual on-orbiter operations.

Simulating Drosophila Genetics with the Computer.

ERIC Educational Resources Information Center

Small, James W., Jr.; Edwards, Kathryn L.

1979-01-01

Presents some techniques developed to help improve student understanding of Mendelian principles through the use of a computer simulation model by the genetic system of the fruit fly. Includes discussion and evaluation of this computer assisted program. (MA)

ENZVU--An Enzyme Kinetics Computer Simulation Based upon a Conceptual Model of Enzyme Action.

ERIC Educational Resources Information Center

Graham, Ian

1985-01-01

Discusses a simulation on enzyme kinetics based upon the ability of computers to generate random numbers. The program includes: (1) enzyme catalysis in a restricted two-dimensional grid; (2) visual representation of catalysis; and (3) storage and manipulation of data. Suggested applications and conclusions are also discussed. (DH)

Modeling Education on the Real World.

ERIC Educational Resources Information Center

Hunter, Beverly

1983-01-01

Offers and discusses three suggestions to capitalize on two developments related to system dynamics modeling and simulation. These developments are a junior/senior high textbook called "Introduction to Computer Simulation" and Micro-DYNAMO, a computer simulation language for microcomputers. (Author/JN)

A Comparison of Four Simulation and Instructional Methods for Endodontic Review.

ERIC Educational Resources Information Center

Sandoval, Victor A.; And Others

1987-01-01

The effects of four different endodontic self-instructional review formats (slide-tape, latent-image simulation, computer text simulation, and computer-assisted video interactive simulation) on senior clinical endodontic performance are compared. Student evaluations, as well as comparative developmental expenditures, are discussed. (Author/MLW)

Reconsidering Simulations in Science Education at a Distance: Features of Effective Use

ERIC Educational Resources Information Center

Blake, C.; Scanlon, E.

2007-01-01

This paper proposes a reconsideration of use of computer simulations in science education. We discuss three studies of the use of science simulations for undergraduate distance learning students. The first one, "The Driven Pendulum" simulation is a computer-based experiment on the behaviour of a pendulum. The second simulation, "Evolve" is…

Monte Carlo Simulations and Generation of the SPI Response

NASA Technical Reports Server (NTRS)

Sturner, S. J.; Shrader, C. R.; Weidenspointner, G.; Teegarden, B. J.; Attie, D.; Diehl, R.; Ferguson, C.; Jean, P.; vonKienlin, A.

2003-01-01

In this paper we discuss the methods developed for the production of the INTEGRAL/SPI instrument response. The response files were produced using a suite of Monte Carlo simulation software developed at NASA/GSFC based on the GEANT-3 package available from CERN. The production of the INTEGRAL/SPI instrument response also required the development of a detailed computer mass model for SPI. We discuss our extensive investigations into methods to reduce both the computation time and storage requirements for the SPI response. We also discuss corrections to the simulated response based on our comparison of ground and inflight calibration data with MGEANT simulation.

Monte Carlo Simulations and Generation of the SPI Response

NASA Technical Reports Server (NTRS)

Sturner, S. J.; Shrader, C. R.; Weidenspointner, G.; Teegarden, B. J.; Attie, D.; Cordier, B.; Diehl, R.; Ferguson, C.; Jean, P.; vonKienlin, A.

2003-01-01

In this paper we discuss the methods developed for the production of the INTEGRAL/SPI instrument response. The response files were produced using a suite of Monte Carlo simulation software developed at NASA/GSFC based on the GEANT-3 package available from CERN. The production of the INTEGRAL/SPI instrument response also required the development of a detailed computer mass model for SPI. We discuss ow extensive investigations into methods to reduce both the computation time and storage requirements for the SPI response. We also discuss corrections to the simulated response based on our comparison of ground and infiight Calibration data with MGEANT simulations.

Computer Simulation of the Neuronal Action Potential.

ERIC Educational Resources Information Center

Solomon, Paul R.; And Others

1988-01-01

A series of computer simulations of the neuronal resting and action potentials are described. Discusses the use of simulations to overcome the difficulties of traditional instruction, such as blackboard illustration, which can only illustrate these events at one point in time. Describes systems requirements necessary to run the simulations.…

Trends in Social Science: The Impact of Computational and Simulative Models

NASA Astrophysics Data System (ADS)

Conte, Rosaria; Paolucci, Mario; Cecconi, Federico

This paper discusses current progress in the computational social sciences. Specifically, it examines the following questions: Are the computational social sciences exhibiting positive or negative developments? What are the roles of agent-based models and simulation (ABM), network analysis, and other "computational" methods within this dynamic? (Conte, The necessity of intelligent agents in social simulation, Advances in Complex Systems, 3(01n04), 19-38, 2000; Conte 2010; Macy, Annual Review of Sociology, 143-166, 2002). Are there objective indicators of scientific growth that can be applied to different scientific areas, allowing for comparison among them? In this paper, some answers to these questions are presented and discussed. In particular, comparisons among different disciplines in the social and computational sciences are shown, taking into account their respective growth trends in the number of publication citations over the last few decades (culled from Google Scholar). After a short discussion of the methodology adopted, results of keyword-based queries are presented, unveiling some unexpected local impacts of simulation on the takeoff of traditionally poorly productive disciplines.

An analysis of the 70-meter antenna hydrostatic bearing by means of computer simulation

NASA Technical Reports Server (NTRS)

Bartos, R. D.

1993-01-01

Recently, the computer program 'A Computer Solution for Hydrostatic Bearings with Variable Film Thickness,' used to design the hydrostatic bearing of the 70-meter antennas, was modified to improve the accuracy with which the program predicts the film height profile and oil pressure distribution between the hydrostatic bearing pad and the runner. This article presents a description of the modified computer program, the theory upon which the computer program computations are based, computer simulation results, and a discussion of the computer simulation results.

Real-time dynamic simulation of the Cassini spacecraft using DARTS. Part 2: Parallel/vectorized real-time implementation

NASA Technical Reports Server (NTRS)

Fijany, A.; Roberts, J. A.; Jain, A.; Man, G. K.

1993-01-01

Part 1 of this paper presented the requirements for the real-time simulation of Cassini spacecraft along with some discussion of the DARTS algorithm. Here, in Part 2 we discuss the development and implementation of parallel/vectorized DARTS algorithm and architecture for real-time simulation. Development of the fast algorithms and architecture for real-time hardware-in-the-loop simulation of spacecraft dynamics is motivated by the fact that it represents a hard real-time problem, in the sense that the correctness of the simulation depends on both the numerical accuracy and the exact timing of the computation. For a given model fidelity, the computation should be computed within a predefined time period. Further reduction in computation time allows increasing the fidelity of the model (i.e., inclusion of more flexible modes) and the integration routine.

Design of a bounded wave EMP (Electromagnetic Pulse) simulator

NASA Astrophysics Data System (ADS)

Sevat, P. A. A.

1989-06-01

Electromagnetic Pulse (EMP) simulators are used to simulate the EMP generated by a nuclear weapon and to harden equipment against the effects of EMP. At present, DREO has a 1 m EMP simulator for testing computer terminal size equipment. To develop the R and D capability for testing larger objects, such as a helicopter, a much bigger threat level facility is required. This report concerns the design of a bounded wave EMP simulator suitable for testing large size equipment. Different types of simulators are described and their pros and cons are discussed. A bounded wave parallel plate type simulator is chosen for it's efficiency and the least environmental impact. Detailed designs are given for 6 m and 10 m parallel plate type wire grid simulators. Electromagnetic fields inside and outside the simulators are computed. Preliminary specifications for a pulse generator required for the simulator are also given. Finally, the electromagnetic fields radiated from the simulator are computed and discussed.

Digital Simulation and Modelling.

ERIC Educational Resources Information Center

Hawthorne, G. B., Jr.

A basically tutorial point of view is taken in this general discussion. The author examines the basic concepts and principles of simulation and modelling and the application of digital computers to these tasks. Examples of existing simulations, a discussion of the applicability and feasibility of simulation studies, a review of simulation…

Potent New Small-Molecule Inhibitor of Botulinum Neurotoxin Serotype A Endopeptidase Developed by Synthesis-Based Computer-Aided Molecular Design

DTIC Science & Technology

2009-11-01

dynamics of the complex predicted by multiple molecular dynamics simulations , and discuss further structural optimization to achieve better in vivo efficacy...complex with BoNTAe and the dynamics of the complex predicted by multiple molecular dynamics simulations (MMDSs). On the basis of the 3D model, we discuss...is unlimited whereas AHP exhibited 54% inhibition under the same conditions (Table 1). Computer Simulation Twenty different molecular dynamics

Simulation and Gaming: Directions, Issues, Ponderables.

ERIC Educational Resources Information Center

Uretsky, Michael

1995-01-01

Discusses the current use of simulation and gaming in a variety of settings. Describes advances in technology that facilitate the use of simulation and gaming, including computer power, computer networks, software, object-oriented programming, video, multimedia, virtual reality, and artificial intelligence. Considers the future use of simulation…

NASA Workshop on Computational Structural Mechanics 1987, part 2

NASA Technical Reports Server (NTRS)

Sykes, Nancy P. (Editor)

1989-01-01

Advanced methods and testbed/simulator development topics are discussed. Computational Structural Mechanics (CSM) testbed architecture, engine structures simulation, applications to laminate structures, and a generic element processor are among the topics covered.

On efficiency of fire simulation realization: parallelization with greater number of computational meshes

NASA Astrophysics Data System (ADS)

Valasek, Lukas; Glasa, Jan

2017-12-01

Current fire simulation systems are capable to utilize advantages of high-performance computer (HPC) platforms available and to model fires efficiently in parallel. In this paper, efficiency of a corridor fire simulation on a HPC computer cluster is discussed. The parallel MPI version of Fire Dynamics Simulator is used for testing efficiency of selected strategies of allocation of computational resources of the cluster using a greater number of computational cores. Simulation results indicate that if the number of cores used is not equal to a multiple of the total number of cluster node cores there are allocation strategies which provide more efficient calculations.

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.

A Turing Machine Simulator.

ERIC Educational Resources Information Center

Navarro, Aaron B.

1981-01-01

Presents a program in Level II BASIC for a TRS-80 computer that simulates a Turing machine and discusses the nature of the device. The program is run interactively and is designed to be used as an educational tool by computer science or mathematics students studying computational or automata theory. (MP)

Conversational Simulation in Computer-Assisted Language Learning: Potential and Reality.

ERIC Educational Resources Information Center

Coleman, D. Wells

1988-01-01

Addresses the potential of conversational simulations for computer-assisted language learning (CALL) and reasons why this potential is largely untapped. Topics discussed include artificial intelligence; microworlds; parsing; realism versus reality in computer software; intelligent tutoring systems; and criteria to clarify what kinds of CALL…

Computer Simulation in Social Science.

ERIC Educational Resources Information Center

Garson, G. David

From a base in military models, computer simulation has evolved to provide a wide variety of applications in social science. General purpose simulation packages and languages such as FIRM, DYNAMO, and others have made significant contributions toward policy discussion in the social sciences and have well-documented efficacy in instructional…

Computational algorithms for simulations in atmospheric optics.

PubMed

Konyaev, P A; Lukin, V P

2016-04-20

A computer simulation technique for atmospheric and adaptive optics based on parallel programing is discussed. A parallel propagation algorithm is designed and a modified spectral-phase method for computer generation of 2D time-variant random fields is developed. Temporal power spectra of Laguerre-Gaussian beam fluctuations are considered as an example to illustrate the applications discussed. Implementation of the proposed algorithms using Intel MKL and IPP libraries and NVIDIA CUDA technology is shown to be very fast and accurate. The hardware system for the computer simulation is an off-the-shelf desktop with an Intel Core i7-4790K CPU operating at a turbo-speed frequency up to 5 GHz and an NVIDIA GeForce GTX-960 graphics accelerator with 1024 1.5 GHz processors.

An Exercise in Biometrical Genetics Based on a Computer Simulation.

ERIC Educational Resources Information Center

Murphy, P. J.

1983-01-01

Describes an exercise in biometrical genetics based on the noninteractive use of a computer simulation of a wheat hydridization program. Advantages of using the material in this way are also discussed. (Author/JN)

The Design, Development, and Evaluation of an Evaluative Computer Simulation.

ERIC Educational Resources Information Center

Ehrlich, Lisa R.

This paper discusses evaluation design considerations for a computer based evaluation simulation developed at the University of Iowa College of Medicine in Cardiology to assess the diagnostic skills of primary care physicians and medical students. The simulation developed allows for the assessment of diagnostic skills of physicians in the…

Simulations of Probabilities for Quantum Computing

NASA Technical Reports Server (NTRS)

Zak, M.

1996-01-01

It has been demonstrated that classical probabilities, and in particular, probabilistic Turing machine, can be simulated by combining chaos and non-LIpschitz dynamics, without utilization of any man-made devices (such as random number generators). Self-organizing properties of systems coupling simulated and calculated probabilities and their link to quantum computations are discussed.

Research in Distance Education: A System Modeling Approach.

ERIC Educational Resources Information Center

Saba, Farhad; Twitchell, David

1988-01-01

Describes how a computer simulation research method can be used for studying distance education systems. Topics discussed include systems research in distance education; a technique of model development using the System Dynamics approach and DYNAMO simulation language; and a computer simulation of a prototype model. (18 references) (LRW)

A computer simulation of Skylab dynamics and attitude control for performance verification and operational support

NASA Technical Reports Server (NTRS)

Buchanan, H.; Nixon, D.; Joyce, R.

1974-01-01

A simulation of the Skylab attitude and pointing control system (APCS) is outlined and discussed. Implementation is via a large hybrid computer and includes those factors affecting system momentum management, propellant consumption, and overall vehicle performance. The important features of the flight system are discussed; the mathematical models necessary for this treatment are outlined; and the decisions involved in implementation are discussed. A brief summary of the goals and capabilities of this tool is also included.

A Computer Simulation of the Trophic Dynamics of an Aquatic System.

ERIC Educational Resources Information Center

Bowker, D. W.; Randerson, P. F.

1989-01-01

Described is a computer program, AQUASIM, which simulates interaction between environmental factors, phytoplankton, zooplankton, and fish in an aquatic ecosystem. The conceptual flow, equations, variables, rate processes, and parameter manipulations are discussed. (CW)

The Chinese House Game.

ERIC Educational Resources Information Center

Lee, James R.

1989-01-01

Discussion of the use of simulations to teach international relations (IR) highlights the Chinese House Game, a computer-based decision-making game based on Inter Nation Simulation (INS). Topics discussed include the increasing role of artificial intelligence in IR simulations, multi-disciplinary approaches, and the direction of IR as a…

Computational fluid dynamics at NASA Ames and the numerical aerodynamic simulation program

NASA Technical Reports Server (NTRS)

Peterson, V. L.

1985-01-01

Computers are playing an increasingly important role in the field of aerodynamics such as that they now serve as a major complement to wind tunnels in aerospace research and development. Factors pacing advances in computational aerodynamics are identified, including the amount of computational power required to take the next major step in the discipline. The four main areas of computational aerodynamics research at NASA Ames Research Center which are directed toward extending the state of the art are identified and discussed. Example results obtained from approximate forms of the governing equations are presented and discussed, both in the context of levels of computer power required and the degree to which they either further the frontiers of research or apply to programs of practical importance. Finally, the Numerical Aerodynamic Simulation Program--with its 1988 target of achieving a sustained computational rate of 1 billion floating-point operations per second--is discussed in terms of its goals, status, and its projected effect on the future of computational aerodynamics.

Development and training of a learning expert system in an autonomous mobile robot via simulation

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

Spelt, P.F.; Lyness, E.; DeSaussure, G.

1989-11-01

The Center for Engineering Systems Advanced Research (CESAR) conducts basic research in the area of intelligent machines. Recently at CESAR a learning expert system was created to operate on board an autonomous robot working at a process control panel. The authors discuss two-computer simulation system used to create, evaluate and train this learning system. The simulation system has a graphics display of the current status of the process being simulated, and the same program which does the simulating also drives the actual control panel. Simulation results were validated on the actual robot. The speed and safety values of using amore » computerized simulator to train a learning computer, and future uses of the simulation system, are discussed.« less

G189A analytical simulation of the RITE Integrated Waste Management-Water System

NASA Technical Reports Server (NTRS)

Coggi, J. V.; Clonts, S. E.

1974-01-01

This paper discusses the computer simulation of the Integrated Waste Management-Water System Using Radioisotopes for Thermal Energy (RITE) and applications of the simulation. Variations in the system temperature and flows due to particular operating conditions and variations in equipment heating loads imposed on the system were investigated with the computer program. The results were assessed from the standpoint of the computed dynamic characteristics of the system and the potential applications of the simulation to system development and vehicle integration.

The development of an interim generalized gate logic software simulator

NASA Technical Reports Server (NTRS)

Mcgough, J. G.; Nemeroff, S.

1985-01-01

A proof-of-concept computer program called IGGLOSS (Interim Generalized Gate Logic Software Simulator) was developed and is discussed. The simulator engine was designed to perform stochastic estimation of self test coverage (fault-detection latency times) of digital computers or systems. A major attribute of the IGGLOSS is its high-speed simulation: 9.5 x 1,000,000 gates/cpu sec for nonfaulted circuits and 4.4 x 1,000,000 gates/cpu sec for faulted circuits on a VAX 11/780 host computer.

Computers for real time flight simulation: A market survey

NASA Technical Reports Server (NTRS)

Bekey, G. A.; Karplus, W. J.

1977-01-01

An extensive computer market survey was made to determine those available systems suitable for current and future flight simulation studies at Ames Research Center. The primary requirement is for the computation of relatively high frequency content (5 Hz) math models representing powered lift flight vehicles. The Rotor Systems Research Aircraft (RSRA) was used as a benchmark vehicle for computation comparison studies. The general nature of helicopter simulations and a description of the benchmark model are presented, and some of the sources of simulation difficulties are examined. A description of various applicable computer architectures is presented, along with detailed discussions of leading candidate systems and comparisons between them.

Evaluation of a Computer Simulation in a Therapeutics Case Discussion.

ERIC Educational Resources Information Center

Kinkade, Raenel E.; And Others

1995-01-01

A computer program was used to simulate a case presentation in pharmacotherapeutics. Students (n=24) used their knowledge of the disease (glaucoma) and various topical agents on the computer program's formulary to "treat" the patient. Comparison of results with a control group found the method as effective as traditional case…

Creativity in Education: A Standard for Computer-Based Teaching.

ERIC Educational Resources Information Center

Schank, Roger C.; Farrell, Robert

1988-01-01

Discussion of the potential of computers in education focuses on the need for experiential learning and developing creativity in students. Learning processes are explained in light of artificial intelligence research, problems with current uses of computers in education are discussed, and possible solutions using intelligent simulation software…

Using Computer Simulations of Negotiation for Educational and Research Purposes in Business Schools.

ERIC Educational Resources Information Center

Conlon, Donald E.

1989-01-01

Discussion of educational and research advantages of using computer-based experimental simulations for the study of negotiation and dispute resolution in business schools focuses on two studies of undergraduates that used simulation exercises. The influence of time pressure on mediation is examined, and differences in student behavior are…

Turbulent structures in wall-bounded shear flows observed via three-dimensional numerical simulators. [using the Illiac 4 computer

NASA Technical Reports Server (NTRS)

Leonard, A.

1980-01-01

Three recent simulations of tubulent shear flow bounded by a wall using the Illiac computer are reported. These are: (1) vibrating-ribbon experiments; (2) study of the evolution of a spot-like disturbance in a laminar boundary layer; and (3) investigation of turbulent channel flow. A number of persistent flow structures were observed, including streamwise and vertical vorticity distributions near the wall, low-speed and high-speed streaks, and local regions of intense vertical velocity. The role of these structures in, for example, the growth or maintenance of turbulence is discussed. The problem of representing the large range of turbulent scales in a computer simulation is also discussed.

Turbomachinery CFD on parallel computers

NASA Technical Reports Server (NTRS)

Blech, Richard A.; Milner, Edward J.; Quealy, Angela; Townsend, Scott E.

1992-01-01

The role of multistage turbomachinery simulation in the development of propulsion system models is discussed. Particularly, the need for simulations with higher fidelity and faster turnaround time is highlighted. It is shown how such fast simulations can be used in engineering-oriented environments. The use of parallel processing to achieve the required turnaround times is discussed. Current work by several researchers in this area is summarized. Parallel turbomachinery CFD research at the NASA Lewis Research Center is then highlighted. These efforts are focused on implementing the average-passage turbomachinery model on MIMD, distributed memory parallel computers. Performance results are given for inviscid, single blade row and viscous, multistage applications on several parallel computers, including networked workstations.

BACLAB: A Computer Simulation of a Medical Bacteriology Laboratory--An Aid for Teaching Tertiary Level Microbiology.

ERIC Educational Resources Information Center

Lewington, J.; And Others

1985-01-01

Describes a computer simulation program which helps students learn the main biochemical tests and profiles for identifying medically important bacteria. Also discusses the advantages and applications of this type of approach. (ML)

Dispersion in Spherical Water Drops.

ERIC Educational Resources Information Center

Eliason, John C., Jr.

1989-01-01

Discusses a laboratory exercise simulating the paths of light rays through spherical water drops by applying principles of ray optics and geometry. Describes four parts: determining the output angles, computer simulation, explorations, model testing, and solutions. Provides a computer program and some diagrams. (YP)

Addressing the challenges of standalone multi-core simulations in molecular dynamics

NASA Astrophysics Data System (ADS)

Ocaya, R. O.; Terblans, J. J.

2017-07-01

Computational modelling in material science involves mathematical abstractions of force fields between particles with the aim to postulate, develop and understand materials by simulation. The aggregated pairwise interactions of the material's particles lead to a deduction of its macroscopic behaviours. For practically meaningful macroscopic scales, a large amount of data are generated, leading to vast execution times. Simulation times of hours, days or weeks for moderately sized problems are not uncommon. The reduction of simulation times, improved result accuracy and the associated software and hardware engineering challenges are the main motivations for many of the ongoing researches in the computational sciences. This contribution is concerned mainly with simulations that can be done on a "standalone" computer based on Message Passing Interfaces (MPI), parallel code running on hardware platforms with wide specifications, such as single/multi- processor, multi-core machines with minimal reconfiguration for upward scaling of computational power. The widely available, documented and standardized MPI library provides this functionality through the MPI_Comm_size (), MPI_Comm_rank () and MPI_Reduce () functions. A survey of the literature shows that relatively little is written with respect to the efficient extraction of the inherent computational power in a cluster. In this work, we discuss the main avenues available to tap into this extra power without compromising computational accuracy. We also present methods to overcome the high inertia encountered in single-node-based computational molecular dynamics. We begin by surveying the current state of the art and discuss what it takes to achieve parallelism, efficiency and enhanced computational accuracy through program threads and message passing interfaces. Several code illustrations are given. The pros and cons of writing raw code as opposed to using heuristic, third-party code are also discussed. The growing trend towards graphical processor units and virtual computing clouds for high-performance computing is also discussed. Finally, we present the comparative results of vacancy formation energy calculations using our own parallelized standalone code called Verlet-Stormer velocity (VSV) operating on 30,000 copper atoms. The code is based on the Sutton-Chen implementation of the Finnis-Sinclair pairwise embedded atom potential. A link to the code is also given.

Some Issues in the Design, Selection and Utilization of Instructional Simulations in a Microcomputer Modality.

ERIC Educational Resources Information Center

Brandhorst, Allan R.

Some factors in the design of instructional micrcomputer simulations that high school social studies teachers must consider when selecting and using computer software are discussed: (1) Instructional computer simulations are adequate instructionally only to the extent that they make explicit the set of relationships underlying the program for the…

Computer Recreations.

ERIC Educational Resources Information Center

Dewdney, A. K.

1988-01-01

Describes the creation of the computer program "BOUNCE," designed to simulate a weighted piston coming into equilibrium with a cloud of bouncing balls. The model follows the ideal gas law. Utilizes the critical event technique to create the model. Discusses another program, "BOOM," which simulates a chain reaction. (CW)

Learner Perceptions of Realism and Magic in Computer Simulations.

ERIC Educational Resources Information Center

Hennessy, Sara; O'Shea, Tim

1993-01-01

Discusses the possible lack of credibility in educational interactive computer simulations. Topics addressed include "Shopping on Mars," a collaborative adventure game for arithmetic calculation that uses direct manipulation in the microworld; the Alternative Reality Kit, a graphical animated environment for creating interactive…

Some Problems and Solutions in Transferring Ecosystem Simulation Codes to Supercomputers

NASA Technical Reports Server (NTRS)

Skiles, J. W.; Schulbach, C. H.

1994-01-01

Many computer codes for the simulation of ecological systems have been developed in the last twenty-five years. This development took place initially on main-frame computers, then mini-computers, and more recently, on micro-computers and workstations. Recent recognition of ecosystem science as a High Performance Computing and Communications Program Grand Challenge area emphasizes supercomputers (both parallel and distributed systems) as the next set of tools for ecological simulation. Transferring ecosystem simulation codes to such systems is not a matter of simply compiling and executing existing code on the supercomputer since there are significant differences in the system architectures of sequential, scalar computers and parallel and/or vector supercomputers. To more appropriately match the application to the architecture (necessary to achieve reasonable performance), the parallelism (if it exists) of the original application must be exploited. We discuss our work in transferring a general grassland simulation model (developed on a VAX in the FORTRAN computer programming language) to a Cray Y-MP. We show the Cray shared-memory vector-architecture, and discuss our rationale for selecting the Cray. We describe porting the model to the Cray and executing and verifying a baseline version, and we discuss the changes we made to exploit the parallelism in the application and to improve code execution. As a result, the Cray executed the model 30 times faster than the VAX 11/785 and 10 times faster than a Sun 4 workstation. We achieved an additional speed-up of approximately 30 percent over the original Cray run by using the compiler's vectorizing capabilities and the machine's ability to put subroutines and functions "in-line" in the code. With the modifications, the code still runs at only about 5% of the Cray's peak speed because it makes ineffective use of the vector processing capabilities of the Cray. We conclude with a discussion and future plans.

Longitudinal train dynamics: an overview

NASA Astrophysics Data System (ADS)

Wu, Qing; Spiryagin, Maksym; Cole, Colin

2016-12-01

This paper discusses the evolution of longitudinal train dynamics (LTD) simulations, which covers numerical solvers, vehicle connection systems, air brake systems, wagon dumper systems and locomotives, resistance forces and gravitational components, vehicle in-train instabilities, and computing schemes. A number of potential research topics are suggested, such as modelling of friction, polymer, and transition characteristics for vehicle connection simulations, studies of wagon dumping operations, proper modelling of vehicle in-train instabilities, and computing schemes for LTD simulations. Evidence shows that LTD simulations have evolved with computing capabilities. Currently, advanced component models that directly describe the working principles of the operation of air brake systems, vehicle connection systems, and traction systems are available. Parallel computing is a good solution to combine and simulate all these advanced models. Parallel computing can also be used to conduct three-dimensional long train dynamics simulations.

Computer simulation of gear tooth manufacturing processes

NASA Technical Reports Server (NTRS)

Mavriplis, Dimitri; Huston, Ronald L.

1990-01-01

The use of computer graphics to simulate gear tooth manufacturing procedures is discussed. An analytical basis for the simulation is established for spur gears. The simulation itself, however, is developed not only for spur gears, but for straight bevel gears as well. The applications of the developed procedure extend from the development of finite element models of heretofore intractable geometrical forms, to exploring the fabrication of nonstandard tooth forms.

Computer image generation: Reconfigurability as a strategy in high fidelity space applications

NASA Technical Reports Server (NTRS)

Bartholomew, Michael J.

1989-01-01

The demand for realistic, high fidelity, computer image generation systems to support space simulation is well established. However, as the number and diversity of space applications increase, the complexity and cost of computer image generation systems also increase. One strategy used to harmonize cost with varied requirements is establishment of a reconfigurable image generation system that can be adapted rapidly and easily to meet new and changing requirements. The reconfigurability strategy through the life cycle of system conception, specification, design, implementation, operation, and support for high fidelity computer image generation systems are discussed. The discussion is limited to those issues directly associated with reconfigurability and adaptability of a specialized scene generation system in a multi-faceted space applications environment. Examples and insights gained through the recent development and installation of the Improved Multi-function Scene Generation System at Johnson Space Center, Systems Engineering Simulator are reviewed and compared with current simulator industry practices. The results are clear; the strategy of reconfigurability applied to space simulation requirements provides a viable path to supporting diverse applications with an adaptable computer image generation system.

Teaching Simulation and Modelling at Royal Military College.

ERIC Educational Resources Information Center

Bonin, Hugues W.; Weir, Ronald D.

1984-01-01

Describes a course designed to assist students in writing differential equations to represent chemical processes and to solve these problems on digital computers. Course outline and discussion of computer projects and the simulation and optimization of a continuously stirred tank reactor process are included. (JN)

Computer Simulation for Emergency Incident Management

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

Brown, D L

2004-12-03

This report describes the findings and recommendations resulting from the Department of Homeland Security (DHS) Incident Management Simulation Workshop held by the DHS Advanced Scientific Computing Program in May 2004. This workshop brought senior representatives of the emergency response and incident-management communities together with modeling and simulation technologists from Department of Energy laboratories. The workshop provided an opportunity for incident responders to describe the nature and substance of the primary personnel roles in an incident response, to identify current and anticipated roles of modeling and simulation in support of incident response, and to begin a dialog between the incident responsemore » and simulation technology communities that will guide and inform planned modeling and simulation development for incident response. This report provides a summary of the discussions at the workshop as well as a summary of simulation capabilities that are relevant to incident-management training, and recommendations for the use of simulation in both incident management and in incident management training, based on the discussions at the workshop. In addition, the report discusses areas where further research and development will be required to support future needs in this area.« less

Influence of Learning Style and Learning Flexibility on Clinical Judgment of Prelicensure Nursing Students within a Human Patient Computer Simulation Environment

ERIC Educational Resources Information Center

Robison, Elizabeth Sharon

2012-01-01

Nursing education is experiencing a transition in how students are exposed to clinical situations. Technology, specifically human patient computer simulation, is replacing human exposure in clinical education (Nehring, 2010b). Kaakinen and Arwood (2009) discuss the need to apply learning theories to instructional designs involving simulation for…

Exact and efficient simulation of concordant computation

NASA Astrophysics Data System (ADS)

Cable, Hugo; Browne, Daniel E.

2015-11-01

Concordant computation is a circuit-based model of quantum computation for mixed states, that assumes that all correlations within the register are discord-free (i.e. the correlations are essentially classical) at every step of the computation. The question of whether concordant computation always admits efficient simulation by a classical computer was first considered by Eastin in arXiv:quant-ph/1006.4402v1, where an answer in the affirmative was given for circuits consisting only of one- and two-qubit gates. Building on this work, we develop the theory of classical simulation of concordant computation. We present a new framework for understanding such computations, argue that a larger class of concordant computations admit efficient simulation, and provide alternative proofs for the main results of arXiv:quant-ph/1006.4402v1 with an emphasis on the exactness of simulation which is crucial for this model. We include detailed analysis of the arithmetic complexity for solving equations in the simulation, as well as extensions to larger gates and qudits. We explore the limitations of our approach, and discuss the challenges faced in developing efficient classical simulation algorithms for all concordant computations.

Computer simulation of multiple pilots flying a modern high performance helicopter

NASA Technical Reports Server (NTRS)

Zipf, Mark E.; Vogt, William G.; Mickle, Marlin H.; Hoelzeman, Ronald G.; Kai, Fei; Mihaloew, James R.

1988-01-01

A computer simulation of a human response pilot mechanism within the flight control loop of a high-performance modern helicopter is presented. A human response mechanism, implemented by a low order, linear transfer function, is used in a decoupled single variable configuration that exploits the dominant vehicle characteristics by associating cockpit controls and instrumentation with specific vehicle dynamics. Low order helicopter models obtained from evaluations of the time and frequency domain responses of a nonlinear simulation model, provided by NASA Lewis Research Center, are presented and considered in the discussion of the pilot development. Pilot responses and reactions to test maneuvers are presented and discussed. Higher level implementation, using the pilot mechanisms, are discussed and considered for their use in a comprehensive control structure.

Robotics, Artificial Intelligence, Computer Simulation: Future Applications in Special Education.

ERIC Educational Resources Information Center

Moore, Gwendolyn B.; And Others

1986-01-01

Describes possible applications of new technologies to special education. Discusses results of a study designed to explore the use of robotics, artificial intelligence, and computer simulations to aid people with handicapping conditions. Presents several scenarios in which specific technological advances may contribute to special education…

Digital computer simulation of inductor-energy-storage dc-to-dc converters with closed-loop regulators

NASA Technical Reports Server (NTRS)

Ohri, A. K.; Owen, H. A.; Wilson, T. G.; Rodriguez, G. E.

1974-01-01

The simulation of converter-controller combinations by means of a flexible digital computer program which produces output to a graphic display is discussed. The procedure is an alternative to mathematical analysis of converter systems. The types of computer programming involved in the simulation are described. Schematic diagrams, state equations, and output equations are displayed for four basic forms of inductor-energy-storage dc to dc converters. Mathematical models are developed to show the relationship of the parameters.

Computers in Undergraduate Science Education. Conference Proceedings.

ERIC Educational Resources Information Center

Blum, Ronald, Ed.

Six areas of computer use in undergraduate education, particularly in the fields of mathematics and physics, are discussed in these proceedings. The areas included are: the computational mode; computer graphics; the simulation mode; analog computing; computer-assisted instruction; and the current politics and management of college level computer…

Computers in aeronautics and space research at the Lewis Research Center

NASA Technical Reports Server (NTRS)

1991-01-01

This brochure presents a general discussion of the role of computers in aerospace research at NASA's Lewis Research Center (LeRC). Four particular areas of computer applications are addressed: computer modeling and simulation, computer assisted engineering, data acquisition and analysis, and computer controlled testing.

The 2nd Symposium on the Frontiers of Massively Parallel Computations

NASA Technical Reports Server (NTRS)

Mills, Ronnie (Editor)

1988-01-01

Programming languages, computer graphics, neural networks, massively parallel computers, SIMD architecture, algorithms, digital terrain models, sort computation, simulation of charged particle transport on the massively parallel processor and image processing are among the topics discussed.

Scalable High Performance Computing: Direct and Large-Eddy Turbulent Flow Simulations Using Massively Parallel Computers

NASA Technical Reports Server (NTRS)

Morgan, Philip E.

2004-01-01

This final report contains reports of research related to the tasks "Scalable High Performance Computing: Direct and Lark-Eddy Turbulent FLow Simulations Using Massively Parallel Computers" and "Devleop High-Performance Time-Domain Computational Electromagnetics Capability for RCS Prediction, Wave Propagation in Dispersive Media, and Dual-Use Applications. The discussion of Scalable High Performance Computing reports on three objectives: validate, access scalability, and apply two parallel flow solvers for three-dimensional Navier-Stokes flows; develop and validate a high-order parallel solver for Direct Numerical Simulations (DNS) and Large Eddy Simulation (LES) problems; and Investigate and develop a high-order Reynolds averaged Navier-Stokes turbulence model. The discussion of High-Performance Time-Domain Computational Electromagnetics reports on five objectives: enhancement of an electromagnetics code (CHARGE) to be able to effectively model antenna problems; utilize lessons learned in high-order/spectral solution of swirling 3D jets to apply to solving electromagnetics project; transition a high-order fluids code, FDL3DI, to be able to solve Maxwell's Equations using compact-differencing; develop and demonstrate improved radiation absorbing boundary conditions for high-order CEM; and extend high-order CEM solver to address variable material properties. The report also contains a review of work done by the systems engineer.

Testing the World with Simulations.

ERIC Educational Resources Information Center

Roberts, Nancy

1983-01-01

Discusses steps involved in model building and simulation: understanding a problem, building a model, and simulation. Includes a mathematical model (focusing on a problem dealing with influenza) written in the DYNAMO computer language, developed specifically for writing simulation models. (Author/JN)

Towards the simulation of molecular collisions with a superconducting quantum computer

NASA Astrophysics Data System (ADS)

Geller, Michael

2013-05-01

I will discuss the prospects for the use of large-scale, error-corrected quantum computers to simulate complex quantum dynamics such as molecular collisions. This will likely require millions qubits. I will also discuss an alternative approach [M. R. Geller et al., arXiv:1210.5260] that is ideally suited for today's superconducting circuits, which uses the single-excitation subspace (SES) of a system of n tunably coupled qubits. The SES method allows many operations in the unitary group SU(n) to be implemented in a single step, bypassing the need for elementary gates, thereby making large computations possible without error correction. The method enables universal quantum simulation, including simulation of the time-dependent Schrodinger equation, and we argue that a 1000-qubit SES processor should be capable of achieving quantum speedup relative to a petaflop supercomputer. We speculate on the utility and practicality of such a simulator for atomic and molecular collision physics. Work supported by the US National Science Foundation CDI program.

Modeling Education on the Real World.

ERIC Educational Resources Information Center

Hunter, Beverly

1983-01-01

Discusses educational applications of computer simulation and model building for grades K to 8, with emphasis on the usefulness of the computer simulation language, micro-DYNAMO, for programing and understanding the models which help to explain social and natural phenomena. A new textbook for junior-senior high school students is noted. (EAO)

Quantum chemistry simulation on quantum computers: theories and experiments.

PubMed

Lu, Dawei; Xu, Boruo; Xu, Nanyang; Li, Zhaokai; Chen, Hongwei; Peng, Xinhua; Xu, Ruixue; Du, Jiangfeng

2012-07-14

It has been claimed that quantum computers can mimic quantum systems efficiently in the polynomial scale. Traditionally, those simulations are carried out numerically on classical computers, which are inevitably confronted with the exponential growth of required resources, with the increasing size of quantum systems. Quantum computers avoid this problem, and thus provide a possible solution for large quantum systems. In this paper, we first discuss the ideas of quantum simulation, the background of quantum simulators, their categories, and the development in both theories and experiments. We then present a brief introduction to quantum chemistry evaluated via classical computers followed by typical procedures of quantum simulation towards quantum chemistry. Reviewed are not only theoretical proposals but also proof-of-principle experimental implementations, via a small quantum computer, which include the evaluation of the static molecular eigenenergy and the simulation of chemical reaction dynamics. Although the experimental development is still behind the theory, we give prospects and suggestions for future experiments. We anticipate that in the near future quantum simulation will become a powerful tool for quantum chemistry over classical computations.

Computation of Unsteady Flow in Flame Trench For Prediction of Ignition Overpressure Waves

NASA Technical Reports Server (NTRS)

Kwak, Dochan; Kris, Cetin

2010-01-01

Computational processes/issues for supporting mission tasks are discussed using an example from launch environment simulation. Entire CFD process has been discussed using an existing code; STS-124 conditions were revisited to support wall repair effort for STS-125 flight; when water bags were not included, computed results indicate that IOP waves with the peak values have been reflected from SRB s own exhaust hole; ARES-1X simulations show that there is a shock wave going through the unused exhaust hole, however, it plays a secondary role; all three ARES-1X cases and STS-1 simulations showed very similar IOP magnitudes and patters on the vehicle; with the addition of water bags and water injection, it will further diminish the IOP effects.

An Object Oriented Extensible Architecture for Affordable Aerospace Propulsion Systems

NASA Technical Reports Server (NTRS)

Follen, Gregory J.; Lytle, John K. (Technical Monitor)

2002-01-01

Driven by a need to explore and develop propulsion systems that exceeded current computing capabilities, NASA Glenn embarked on a novel strategy leading to the development of an architecture that enables propulsion simulations never thought possible before. Full engine 3 Dimensional Computational Fluid Dynamic propulsion system simulations were deemed impossible due to the impracticality of the hardware and software computing systems required. However, with a software paradigm shift and an embracing of parallel and distributed processing, an architecture was designed to meet the needs of future propulsion system modeling. The author suggests that the architecture designed at the NASA Glenn Research Center for propulsion system modeling has potential for impacting the direction of development of affordable weapons systems currently under consideration by the Applied Vehicle Technology Panel (AVT). This paper discusses the salient features of the NPSS Architecture including its interface layer, object layer, implementation for accessing legacy codes, numerical zooming infrastructure and its computing layer. The computing layer focuses on the use and deployment of these propulsion simulations on parallel and distributed computing platforms which has been the focus of NASA Ames. Additional features of the object oriented architecture that support MultiDisciplinary (MD) Coupling, computer aided design (CAD) access and MD coupling objects will be discussed. Included will be a discussion of the successes, challenges and benefits of implementing this architecture.

Parallel discrete-event simulation of FCFS stochastic queueing networks

NASA Technical Reports Server (NTRS)

Nicol, David M.

1988-01-01

Physical systems are inherently parallel. Intuition suggests that simulations of these systems may be amenable to parallel execution. The parallel execution of a discrete-event simulation requires careful synchronization of processes in order to ensure the execution's correctness; this synchronization can degrade performance. Largely negative results were recently reported in a study which used a well-known synchronization method on queueing network simulations. Discussed here is a synchronization method (appointments), which has proven itself to be effective on simulations of FCFS queueing networks. The key concept behind appointments is the provision of lookahead. Lookahead is a prediction on a processor's future behavior, based on an analysis of the processor's simulation state. It is shown how lookahead can be computed for FCFS queueing network simulations, give performance data that demonstrates the method's effectiveness under moderate to heavy loads, and discuss performance tradeoffs between the quality of lookahead, and the cost of computing lookahead.

Evolution of computational chemistry, the "launch pad" to scientific computational models: The early days from a personal account, the present status from the TACC-2012 congress, and eventual future applications from the global simulation approach

NASA Astrophysics Data System (ADS)

Clementi, Enrico

2012-06-01

This is the introductory chapter to the AIP Proceedings volume "Theory and Applications of Computational Chemistry: The First Decade of the Second Millennium" where we discuss the evolution of "computational chemistry". Very early variational computational chemistry developments are reported in Sections 1 to 7, and 11, 12 by recalling some of the computational chemistry contributions by the author and his collaborators (from late 1950 to mid 1990); perturbation techniques are not considered in this already extended work. Present day's computational chemistry is partly considered in Sections 8 to 10 where more recent studies by the author and his collaborators are discussed, including the Hartree-Fock-Heitler-London method; a more general discussion on present day computational chemistry is presented in Section 14. The following chapters of this AIP volume provide a view of modern computational chemistry. Future computational chemistry developments can be extrapolated from the chapters of this AIP volume; further, in Sections 13 and 15 present an overall analysis on computational chemistry, obtained from the Global Simulation approach, by considering the evolution of scientific knowledge confronted with the opportunities offered by modern computers.

Simulating chemistry using quantum computers.

PubMed

Kassal, Ivan; Whitfield, James D; Perdomo-Ortiz, Alejandro; Yung, Man-Hong; Aspuru-Guzik, Alán

2011-01-01

The difficulty of simulating quantum systems, well known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.

Computer Simulation in Tomorrow's Schools.

ERIC Educational Resources Information Center

Foster, David

1984-01-01

Suggests use of simulation as an educational strategy has promise for the school of the future; discusses specific advantages of simulations over alternative educational methods, role of microcomputers in educational simulation, and past obstacles and future promise of microcomputer simulations; and presents a literature review on effectiveness of…

The Loci Multidisciplinary Simulation System Overview and Status

NASA Technical Reports Server (NTRS)

Luke, Edward A.; Tong, Xiao-Ling; Tang, Lin

2002-01-01

This paper will discuss the Loci system, an innovative tool for developing tightly coupled multidisciplinary three dimensional simulations. This presentation will overview some of the unique capabilities of the Loci system to automate the assembly of numerical simulations from libraries of fundamental computational components. We will discuss the demonstration of the Loci system on coupled fluid-structure problems related to RBCC propulsion systems.

The Computers in Our Lives.

ERIC Educational Resources Information Center

Uthe, Elaine F.

1982-01-01

Describes the growing use of computers in our world and how their use will affect vocational education. Discusses recordkeeping and database functions, computer graphics, problem-solving simulations, satellite communications, home computers, and how they will affect office education, home economics education, marketing and distributive education,…

Hybrid computers and simulation languages in the study of dynamics of continuous systems

NASA Technical Reports Server (NTRS)

Acaccia, G. M.; Lucifredi, A. L.

1970-01-01

A comparison is presented of the use of hybrid computers and simulation languages as a means of studying the behavior of dynamic systems. Both procedures are defined and their advantages and disadvantages at the present state of the art are discussed. Some comparison and evaluation criteria are presented.

Electronic Ecosystem.

ERIC Educational Resources Information Center

Travis, John

1991-01-01

A discipline in which scientists seek to simulate and synthesize lifelike behaviors within computers, chemical mixtures, and other media is discussed. A computer program with self-replicating digital "organisms" that evolve as they compete for computer time and memory is described. (KR)

Multiscale Modeling in Computational Biomechanics: Determining Computational Priorities and Addressing Current Challenges

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

Tawhai, Merryn; Bischoff, Jeff; Einstein, Daniel R.

2009-05-01

Abstract In this article, we describe some current multiscale modeling issues in computational biomechanics from the perspective of the musculoskeletal and respiratory systems and mechanotransduction. First, we outline the necessity of multiscale simulations in these biological systems. Then we summarize challenges inherent to multiscale biomechanics modeling, regardless of the subdiscipline, followed by computational challenges that are system-specific. We discuss some of the current tools that have been utilized to aid research in multiscale mechanics simulations, and the priorities to further the field of multiscale biomechanics computation.

F-14 modeling study

NASA Technical Reports Server (NTRS)

Levison, W. H.; Baron, S.

1984-01-01

Preliminary results in the application of a closed loop pilot/simulator model to the analysis of some simulator fidelity issues are discussed in the context of an air to air target tracking task. The closed loop model is described briefly. Then, problem simplifications that are employed to reduce computational costs are discussed. Finally, model results showing sensitivity of performance to various assumptions concerning the simulator and/or the pilot are presented.

The State of Simulations: Soft-Skill Simulations Emerge as a Powerful New Form of E-Learning.

ERIC Educational Resources Information Center

Aldrich, Clark

2001-01-01

Presents responses of leaders from six simulation companies about challenges and opportunities of soft-skills simulations in e-learning. Discussion includes: evaluation metrics; role of subject matter experts in developing simulations; video versus computer graphics; technology needed to run simulations; technology breakthroughs; pricing;…

Computer animation challenges for computational fluid dynamics

NASA Astrophysics Data System (ADS)

Vines, Mauricio; Lee, Won-Sook; Mavriplis, Catherine

2012-07-01

Computer animation requirements differ from those of traditional computational fluid dynamics (CFD) investigations in that visual plausibility and rapid frame update rates trump physical accuracy. We present an overview of the main techniques for fluid simulation in computer animation, starting with Eulerian grid approaches, the Lattice Boltzmann method, Fourier transform techniques and Lagrangian particle introduction. Adaptive grid methods, precomputation of results for model reduction, parallelisation and computation on graphical processing units (GPUs) are reviewed in the context of accelerating simulation computations for animation. A survey of current specific approaches for the application of these techniques to the simulation of smoke, fire, water, bubbles, mixing, phase change and solid-fluid coupling is also included. Adding plausibility to results through particle introduction, turbulence detail and concentration on regions of interest by level set techniques has elevated the degree of accuracy and realism of recent animations. Basic approaches are described here. Techniques to control the simulation to produce a desired visual effect are also discussed. Finally, some references to rendering techniques and haptic applications are mentioned to provide the reader with a complete picture of the challenges of simulating fluids in computer animation.

Computer Simulations: Inelegant Mathematics and Worse Social Science?

ERIC Educational Resources Information Center

Alker, Hayward R., Jr.

1974-01-01

Achievements, limitations, and difficulties of social science simulation efforts are discussed with particular reference to three examples. The pedagogical use of complementary developmental, philosophical, mathematical, and scientific approaches is advocated to minimize potential abuses of social simulation research. (LS)

Understanding Islamist political violence through computational social simulation

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

Watkins, Jennifer H; Mackerrow, Edward P; Patelli, Paolo G

Understanding the process that enables political violence is of great value in reducing the future demand for and support of violent opposition groups. Methods are needed that allow alternative scenarios and counterfactuals to be scientifically researched. Computational social simulation shows promise in developing 'computer experiments' that would be unfeasible or unethical in the real world. Additionally, the process of modeling and simulation reveals and challenges assumptions that may not be noted in theories, exposes areas where data is not available, and provides a rigorous, repeatable, and transparent framework for analyzing the complex dynamics of political violence. This paper demonstrates themore » computational modeling process using two simulation techniques: system dynamics and agent-based modeling. The benefits and drawbacks of both techniques are discussed. In developing these social simulations, we discovered that the social science concepts and theories needed to accurately simulate the associated psychological and social phenomena were lacking.« less

Computer simulation: A modern day crystal ball?

NASA Technical Reports Server (NTRS)

Sham, Michael; Siprelle, Andrew

1994-01-01

It has long been the desire of managers to be able to look into the future and predict the outcome of decisions. With the advent of computer simulation and the tremendous capability provided by personal computers, that desire can now be realized. This paper presents an overview of computer simulation and modeling, and discusses the capabilities of Extend. Extend is an iconic-driven Macintosh-based software tool that brings the power of simulation to the average computer user. An example of an Extend based model is presented in the form of the Space Transportation System (STS) Processing Model. The STS Processing Model produces eight shuttle launches per year, yet it takes only about ten minutes to run. In addition, statistical data such as facility utilization, wait times, and processing bottlenecks are produced. The addition or deletion of resources, such as orbiters or facilities, can be easily modeled and their impact analyzed. Through the use of computer simulation, it is possible to look into the future to see the impact of today's decisions.

PROJMNG FORTRAN: An Interactive Computer Program for Use with the Defense Management Simulation Exercise.

DTIC Science & Technology

1984-03-01

DITACODE TEAfxx. They are used interactively by PRCJNG during the game sessions. The PROJENG Instructions (Appendix F) discuss the DATABASE and DATACODE...DA.7R148 709 PROJMNG FORTRAN: AN INTERACTIVE COMPUTER PROGRAM FOR 1/4 USE WITH THE DEFENSE MANAGEMENT SIMULRTION EXERCISE(U) NAVRL POSTGRADUATE...California DTIC ELECTE Y4 194 THESISB PROJMNG FORTRAN: AN INTERACTIVE COMPUTER PROGRAM FOR USE WITH THE DEFENSE MANAGEMENT SIMULATION EXERCISE by LU

Probabilistic Simulation for Nanocomposite Characterization

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Coroneos, Rula M.

2007-01-01

A unique probabilistic theory is described to predict the properties of nanocomposites. The simulation is based on composite micromechanics with progressive substructuring down to a nanoscale slice of a nanofiber where all the governing equations are formulated. These equations have been programmed in a computer code. That computer code is used to simulate uniaxial strengths properties of a mononanofiber laminate. The results are presented graphically and discussed with respect to their practical significance. These results show smooth distributions.

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

Selection and Integration of a Computer Simulation for Public Budgeting and Finance (PBS 116).

ERIC Educational Resources Information Center

Banas, Ed Jr.

1998-01-01

Describes the development of a course on public budgeting and finance, which integrated the use of SimCity Classic, a computer-simulation software, with traditional lecture, guest speakers, and collaborative-learning activities. Explains the rationale for the course design and discusses the results from the first semester of teaching the course.…

Computer simulation studies in fluid and calcium regulation and orthostatic intolerance

NASA Technical Reports Server (NTRS)

1985-01-01

The systems analysis approach to physiological research uses mathematical models and computer simulation. Major areas of concern during prolonged space flight discussed include fluid and blood volume regulation; cardiovascular response during shuttle reentry; countermeasures for orthostatic intolerance; and calcium regulation and bone atrophy. Potential contributions of physiologic math models to future flight experiments are examined.

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

PubMed

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

2012-09-01

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

Introduction to Quantum Intelligence

NASA Technical Reports Server (NTRS)

Zak, Michail

1996-01-01

An impact of ideas associated with the concept of a hypothetical quantum computer upon classical computing is analyzed. Two fundamental properties of quantum computing: direct simulations of probabilities, and influence between different branches of probabilistic scenarios, as well as their classical versions, are discussed.

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.

USERS MANUAL FOR HYDROLOGICAL SIMULATION PROGRAM - FORTRAN (HSPF)

EPA Science Inventory

The Hydrological Simulation Program--Fortran (HSPF) is a set of computer codes that can simulate the hydrologic, and associated water quality, processes on pervious and impervious land surfaces and in streams and well-mixed impoundments. The manual discusses the modular structure...

Automated procedure for developing hybrid computer simulations of turbofan engines. Part 1: General description

NASA Technical Reports Server (NTRS)

Szuch, J. R.; Krosel, S. M.; Bruton, W. M.

1982-01-01

A systematic, computer-aided, self-documenting methodology for developing hybrid computer simulations of turbofan engines is presented. The methodology that is pesented makes use of a host program that can run on a large digital computer and a machine-dependent target (hybrid) program. The host program performs all the calculations and data manipulations that are needed to transform user-supplied engine design information to a form suitable for the hybrid computer. The host program also trims the self-contained engine model to match specified design-point information. Part I contains a general discussion of the methodology, describes a test case, and presents comparisons between hybrid simulation and specified engine performance data. Part II, a companion document, contains documentation, in the form of computer printouts, for the test case.

Computational Thinking in the Wild: Uncovering Complex Collaborative Thinking through Gameplay

ERIC Educational Resources Information Center

Berland, Matthew; Duncan, Sean

2016-01-01

Surprisingly few empirical studies address how computational thinking works "in the wild" or how games and simulations can support developing computational thinking skills. In this article, the authors report results from a study of computational thinking (CT) as evinced through player discussions around the collaborative board game…

Assessment methodology for computer-based instructional simulations.

PubMed

Koenig, Alan; Iseli, Markus; Wainess, Richard; Lee, John J

2013-10-01

Computer-based instructional simulations are becoming more and more ubiquitous, particularly in military and medical domains. As the technology that drives these simulations grows ever more sophisticated, the underlying pedagogical models for how instruction, assessment, and feedback are implemented within these systems must evolve accordingly. In this article, we review some of the existing educational approaches to medical simulations, and present pedagogical methodologies that have been used in the design and development of games and simulations at the University of California, Los Angeles, Center for Research on Evaluation, Standards, and Student Testing. In particular, we present a methodology for how automated assessments of computer-based simulations can be implemented using ontologies and Bayesian networks, and discuss their advantages and design considerations for pedagogical use. Reprint & Copyright © 2013 Association of Military Surgeons of the U.S.

Modeling and Simulation of Explosively Driven Electromechanical Devices

NASA Astrophysics Data System (ADS)

Demmie, Paul N.

2002-07-01

Components that store electrical energy in ferroelectric materials and produce currents when their permittivity is explosively reduced are used in a variety of applications. The modeling and simulation of such devices is a challenging problem since one has to represent the coupled physics of detonation, shock propagation, and electromagnetic field generation. The high fidelity modeling and simulation of complicated electromechanical devices was not feasible prior to having the Accelerated Strategic Computing Initiative (ASCI) computers and the ASCI developed codes at Sandia National Laboratories (SNL). The EMMA computer code is used to model such devices and simulate their operation. In this paper, I discuss the capabilities of the EMMA code for the modeling and simulation of one such electromechanical device, a slim-loop ferroelectric (SFE) firing set.

Computer and laboratory simulation of interactions between spacecraft surfaces and charged-particle environments

NASA Technical Reports Server (NTRS)

Stevens, N. J.

1979-01-01

Cases where the charged-particle environment acts on the spacecraft (e.g., spacecraft charging phenomena) and cases where a system on the spacecraft causes the interaction (e.g., high voltage space power systems) are considered. Both categories were studied in ground simulation facilities to understand the processes involved and to measure the pertinent parameters. Computer simulations are based on the NASA Charging Analyzer Program (NASCAP) code. Analytical models are developed in this code and verified against the experimental data. Extrapolation from the small test samples to space conditions are made with this code. Typical results from laboratory and computer simulations are presented for both types of interactions. Extrapolations from these simulations to performance in space environments are discussed.

Large Eddy Simulation of Ducted Propulsors in Crashback

NASA Astrophysics Data System (ADS)

Jang, Hyunchul; Mahesh, Krishnan

2009-11-01

Flow around a ducted marine propulsor is computed using the large eddy simulation methodology under crashback conditions. Crashback is an operating condition where a propulsor rotates in the reverse direction while the vessel moves in the forward direction. It is characterized by massive flow separation and highly unsteady propeller loads, which affect both blade life and maneuverability. The simulations are performed on unstructured grids using the discrete kinetic energy conserving algorithm developed by Mahesh at al. (2004, J. Comput. Phys 197). Numerical challenges posed by sharp blade edges and small blade tip clearances are discussed. The flow is computed at the advance ratio J=-0.7 and Reynolds number Re=480,000 based on the propeller diameter. Average and RMS values of the unsteady loads such as thrust, torque, and side force on the blades and duct are compared to experiment, and the effect of the duct on crashback is discussed.

Experimental and Computational Study of Sonic and Supersonic Jet Plumes

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Computer simulation of electron flow in linear-beam microwave tubes

NASA Astrophysics Data System (ADS)

Kumar, Lalit

1990-12-01

The computer simulation of electron flow in linear-beam microwave tubes, such as a travelling-wave tube (TWT) and klystron, is used for designing and optimising the electron gun and collector and for analysing the large-signal beam-wave interaction phenomenon. Major aspects of simulation of electron flow in static and rf fields present in such tubes are discussed. Some advancements made in this respect and results obtained from computer programs developed by the research group at CEERI for a gridded electron gun, depressed collector, and large-signal analysis of TWT and klystron are presented.

Bistatic passive radar simulator with spatial filtering subsystem

NASA Astrophysics Data System (ADS)

Hossa, Robert; Szlachetko, Boguslaw; Lewandowski, Andrzej; Górski, Maksymilian

2009-06-01

The purpose of this paper is to briefly introduce the structure and features of the developed virtual passive FM radar implemented in Matlab system of numerical computations and to present many alternative ways of its performance. An idea of the proposed solution is based on analytic representation of transmitted direct signals and reflected echo signals. As a spatial filtering subsystem a beamforming network of ULA and UCA dipole configuration dedicated to bistatic radar concept is considered and computationally efficient procedures are presented in details. Finally, exemplary results of the computer simulations of the elaborated virtual simulator are provided and discussed.

Experimental analysis of computer system dependability

NASA Technical Reports Server (NTRS)

Iyer, Ravishankar, K.; Tang, Dong

1993-01-01

This paper reviews an area which has evolved over the past 15 years: experimental analysis of computer system dependability. Methodologies and advances are discussed for three basic approaches used in the area: simulated fault injection, physical fault injection, and measurement-based analysis. The three approaches are suited, respectively, to dependability evaluation in the three phases of a system's life: design phase, prototype phase, and operational phase. Before the discussion of these phases, several statistical techniques used in the area are introduced. For each phase, a classification of research methods or study topics is outlined, followed by discussion of these methods or topics as well as representative studies. The statistical techniques introduced include the estimation of parameters and confidence intervals, probability distribution characterization, and several multivariate analysis methods. Importance sampling, a statistical technique used to accelerate Monte Carlo simulation, is also introduced. The discussion of simulated fault injection covers electrical-level, logic-level, and function-level fault injection methods as well as representative simulation environments such as FOCUS and DEPEND. The discussion of physical fault injection covers hardware, software, and radiation fault injection methods as well as several software and hybrid tools including FIAT, FERARI, HYBRID, and FINE. The discussion of measurement-based analysis covers measurement and data processing techniques, basic error characterization, dependency analysis, Markov reward modeling, software-dependability, and fault diagnosis. The discussion involves several important issues studies in the area, including fault models, fast simulation techniques, workload/failure dependency, correlated failures, and software fault tolerance.

Sensitivity Analysis and Optimization of Enclosure Radiation with Applications to Crystal Growth

NASA Technical Reports Server (NTRS)

Tiller, Michael M.

1995-01-01

In engineering, simulation software is often used as a convenient means for carrying out experiments to evaluate physical systems. The benefit of using simulations as 'numerical' experiments is that the experimental conditions can be easily modified and repeated at much lower cost than the comparable physical experiment. The goal of these experiments is to 'improve' the process or result of the experiment. In most cases, the computational experiments employ the same trial and error approach as their physical counterparts. When using this approach for complex systems, the cause and effect relationship of the system may never be fully understood and efficient strategies for improvement never utilized. However, it is possible when running simulations to accurately and efficiently determine the sensitivity of the system results with respect to simulation to accurately and efficiently determine the sensitivity of the system results with respect to simulation parameters (e.g., initial conditions, boundary conditions, and material properties) by manipulating the underlying computations. This results in a better understanding of the system dynamics and gives us efficient means to improve processing conditions. We begin by discussing the steps involved in performing simulations. Then we consider how sensitivity information about simulation results can be obtained and ways this information may be used to improve the process or result of the experiment. Next, we discuss optimization and the efficient algorithms which use sensitivity information. We draw on all this information to propose a generalized approach for integrating simulation and optimization, with an emphasis on software programming issues. After discussing our approach to simulation and optimization we consider an application involving crystal growth. This application is interesting because it includes radiative heat transfer. We discuss the computation of radiative new factors and the impact this mode of heat transfer has on our approach. Finally, we will demonstrate the results of our optimization.

Adjoint Sensitivity Analysis for Scale-Resolving Turbulent Flow Solvers

NASA Astrophysics Data System (ADS)

Blonigan, Patrick; Garai, Anirban; Diosady, Laslo; Murman, Scott

2017-11-01

Adjoint-based sensitivity analysis methods are powerful design tools for engineers who use computational fluid dynamics. In recent years, these engineers have started to use scale-resolving simulations like large-eddy simulations (LES) and direct numerical simulations (DNS), which resolve more scales in complex flows with unsteady separation and jets than the widely-used Reynolds-averaged Navier-Stokes (RANS) methods. However, the conventional adjoint method computes large, unusable sensitivities for scale-resolving simulations, which unlike RANS simulations exhibit the chaotic dynamics inherent in turbulent flows. Sensitivity analysis based on least-squares shadowing (LSS) avoids the issues encountered by conventional adjoint methods, but has a high computational cost even for relatively small simulations. The following talk discusses a more computationally efficient formulation of LSS, ``non-intrusive'' LSS, and its application to turbulent flows simulated with a discontinuous-Galkerin spectral-element-method LES/DNS solver. Results are presented for the minimal flow unit, a turbulent channel flow with a limited streamwise and spanwise domain.

An efficient formulation of robot arm dynamics for control and computer simulation

NASA Astrophysics Data System (ADS)

Lee, C. S. G.; Nigam, R.

This paper describes an efficient formulation of the dynamic equations of motion of industrial robots based on the Lagrange formulation of d'Alembert's principle. This formulation, as applied to a PUMA robot arm, results in a set of closed form second order differential equations with cross product terms. They are not as efficient in computation as those formulated by the Newton-Euler method, but provide a better analytical model for control analysis and computer simulation. Computational complexities of this dynamic model together with other models are tabulated for discussion.

Computed Flow Through An Artificial Heart Valve

NASA Technical Reports Server (NTRS)

Rogers, Stewart E.; Kwak, Dochan; Kiris, Cetin; Chang, I-Dee

1994-01-01

Report discusses computations of blood flow through prosthetic tilting disk valve. Computational procedure developed in simulation used to design better artificial hearts and valves by reducing or eliminating following adverse flow characteristics: large pressure losses, which prevent hearts from working efficiently; separated and secondary flows, which causes clotting; and high turbulent shear stresses, which damages red blood cells. Report reiterates and expands upon part of NASA technical memorandum "Computed Flow Through an Artificial Heart and Valve" (ARC-12983). Also based partly on research described in "Numerical Simulation of Flow Through an Artificial Heart" (ARC-12478).

Fractals: To Know, to Do, to Simulate.

ERIC Educational Resources Information Center

Talanquer, Vicente; Irazoque, Glinda

1993-01-01

Discusses the development of fractal theory and suggests fractal aggregates as an attractive alternative for introducing fractal concepts. Describes methods for producing metallic fractals and a computer simulation for drawing fractals. (MVL)

RTM user's guide

NASA Technical Reports Server (NTRS)

Claus, Steven J.; Loos, Alfred C.

1989-01-01

RTM is a FORTRAN '77 computer code which simulates the infiltration of textile reinforcements and the kinetics of thermosetting polymer resin systems. The computer code is based on the process simulation model developed by the author. The compaction of dry, woven textile composites is simulated to describe the increase in fiber volume fraction with increasing compaction pressure. Infiltration is assumed to follow D'Arcy's law for Newtonian viscous fluids. The chemical changes which occur in the resin during processing are simulated with a thermo-kinetics model. The computer code is discussed on the basis of the required input data, output files and some comments on how to interpret the results. An example problem is solved and a complete listing is included.

Application of Microsoft's ActiveX and DirectX technologies to the visulization of physical system dynamics

NASA Astrophysics Data System (ADS)

Mann, Christopher; Narasimhamurthi, Natarajan

1998-08-01

This paper discusses a specific implementation of a web and complement based simulation systems. The overall simulation container is implemented within a web page viewed with Microsoft's Internet Explorer 4.0 web browser. Microsoft's ActiveX/Distributed Component Object Model object interfaces are used in conjunction with the Microsoft DirectX graphics APIs to provide visualization functionality for the simulation. The MathWorks' Matlab computer aided control system design program is used as an ActiveX automation server to provide the compute engine for the simulations.

Model for Atmospheric Propagation of Spatially Combined Laser Beams

DTIC Science & Technology

2016-09-01

thesis modeling tools is discussed. In Chapter 6, the thesis validated the model with analytical computations and simulations result from...using propagation model . Based on both the analytical computation and WaveTrain results, the diraction e ects simulated in the propagation model are...NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS MODEL FOR ATMOSPHERIC PROPAGATION OF SPATIALLY COMBINED LASER BEAMS by Kum Leong Lee

Vernier Caliper and Micrometer Computer Models Using Easy Java Simulation and Its Pedagogical Design Features--Ideas for Augmenting Learning with Real Instruments

ERIC Educational Resources Information Center

Wee, Loo Kang; Ning, Hwee Tiang

2014-01-01

This paper presents the customization of Easy Java Simulation models, used with actual laboratory instruments, to create active experiential learning for measurements. The laboratory instruments are the vernier caliper and the micrometer. Three computer model design ideas that complement real equipment are discussed. These ideas involve (1) a…

Shuttle mission simulator software conceptual design

NASA Technical Reports Server (NTRS)

Burke, J. F.

1973-01-01

Software conceptual designs (SCD) are presented for meeting the simulator requirements for the shuttle missions. The major areas of the SCD discussed include: malfunction insertion, flight software, applications software, systems software, and computer complex.

Heat simulation via Scilab programming

NASA Astrophysics Data System (ADS)

Hasan, Mohammad Khatim; Sulaiman, Jumat; Karim, Samsul Arifin Abdul

2014-07-01

This paper discussed the used of an open source sofware called Scilab to develop a heat simulator. In this paper, heat equation was used to simulate heat behavior in an object. The simulator was developed using finite difference method. Numerical experiment output show that Scilab can produce a good heat behavior simulation with marvellous visual output with only developing simple computer code.

The Structure and Properties of Silica Glass Nanostructures using Novel Computational Systems

NASA Astrophysics Data System (ADS)

Doblack, Benjamin N.

The structure and properties of silica glass nanostructures are examined using computational methods in this work. Standard synthesis methods of silica and its associated material properties are first discussed in brief. A review of prior experiments on this amorphous material is also presented. Background and methodology for the simulation of mechanical tests on amorphous bulk silica and nanostructures are later presented. A new computational system for the accurate and fast simulation of silica glass is also presented, using an appropriate interatomic potential for this material within the open-source molecular dynamics computer program LAMMPS. This alternative computational method uses modern graphics processors, Nvidia CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model select materials, this enhancement allows the addition of accelerated molecular dynamics simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal of this project is to investigate the structure and size dependent mechanical properties of silica glass nanohelical structures under tensile MD conditions using the innovative computational system. Specifically, silica nanoribbons and nanosprings are evaluated which revealed unique size dependent elastic moduli when compared to the bulk material. For the nanoribbons, the tensile behavior differed widely between the models simulated, with distinct characteristic extended elastic regions. In the case of the nanosprings simulated, more clear trends are observed. In particular, larger nanospring wire cross-sectional radii (r) lead to larger Young's moduli, while larger helical diameters (2R) resulted in smaller Young's moduli. Structural transformations and theoretical models are also analyzed to identify possible factors which might affect the mechanical response of silica nanostructures under tension. The work presented outlines an innovative simulation methodology, and discusses how results can be validated against prior experimental and simulation findings. The ultimate goal is to develop new computational methods for the study of nanostructures which will make the field of materials science more accessible, cost effective and efficient.

Future Computer Requirements for Computational Aerodynamics

NASA Technical Reports Server (NTRS)

1978-01-01

Recent advances in computational aerodynamics are discussed as well as motivations for and potential benefits of a National Aerodynamic Simulation Facility having the capability to solve fluid dynamic equations at speeds two to three orders of magnitude faster than presently possible with general computers. Two contracted efforts to define processor architectures for such a facility are summarized.

Parallel computational fluid dynamics '91; Conference Proceedings, Stuttgart, Germany, Jun. 10-12, 1991

NASA Technical Reports Server (NTRS)

Reinsch, K. G. (Editor); Schmidt, W. (Editor); Ecer, A. (Editor); Haeuser, Jochem (Editor); Periaux, J. (Editor)

1992-01-01

A conference was held on parallel computational fluid dynamics and produced related papers. Topics discussed in these papers include: parallel implicit and explicit solvers for compressible flow, parallel computational techniques for Euler and Navier-Stokes equations, grid generation techniques for parallel computers, and aerodynamic simulation om massively parallel systems.

Elucidating Reaction Mechanisms on Quantum Computers

NASA Astrophysics Data System (ADS)

Wiebe, Nathan; Reiher, Markus; Svore, Krysta; Wecker, Dave; Troyer, Matthias

We show how a quantum computer can be employed to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical-computer simulations for such problems, to significantly increase their accuracy and enable hitherto intractable simulations. Detailed resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. This demonstrates that quantum computers will realistically be able to tackle important problems in chemistry that are both scientifically and economically significant.

Simulation/Gaming and the Acquisition of Communicative Competence in Another Language.

ERIC Educational Resources Information Center

Garcia-Carbonell, Amparo; Rising, Beverly; Montero, Begona; Watts, Frances

2001-01-01

Discussion of communicative competence in second language acquisition focuses on a theoretical and practical meshing of simulation and gaming methodology with theories of foreign language acquisition, including task-based learning, interaction, and comprehensible input. Describes experiments conducted with computer-assisted simulations in…

HYDROLOGICAL SIMULATION PROGRAM-FORTRAN (HSPF): USERS MANUAL FOR RELEASE 8.0

EPA Science Inventory

The Hydrological Simulation Program--FORTRAN (HSPF) is a set of computer codes that can simulate the hydrologic, and associated water quality, processes on pervious and impervious land surfaces and in streams and well mixed impoundments. The manual discusses the modular structure...

A review of flight simulation techniques

NASA Astrophysics Data System (ADS)

Baarspul, Max

After a brief historical review of the evolution of flight simulation techniques, this paper first deals with the main areas of flight simulator applications. Next, it describes the main components of a piloted flight simulator. Because of the presence of the pilot-in-the-loop, the digital computer driving the simulator must solve the aircraft equations of motion in ‘real-time’. Solutions to meet the high required computer power of todays modern flight simulator are elaborated. The physical similarity between aircraft and simulator in cockpit layout, flight instruments, flying controls etc., is discussed, based on the equipment and environmental cue fidelity required for training and research simulators. Visual systems play an increasingly important role in piloted flight simulation. The visual systems now available and most widely used are described, where image generators and display devices will be distinguished. The characteristics of out-of-the-window visual simulation systems pertaining to the perceptual capabilities of human vision are discussed. Faithful reproduction of aircraft motion requires large travel, velocity and acceleration capabilities of the motion system. Different types and applications of motion systems in e.g. airline training and research are described. The principles of motion cue generation, based on the characteristics of the non-visual human motion sensors, are described. The complete motion system, consisting of the hardware and the motion drive software, is discussed. The principles of mathematical modelling of the aerodynamic, flight control, propulsion, landing gear and environmental characteristics of the aircraft are reviewed. An example of the identification of an aircraft mathematical model, based on flight and taxi tests, is presented. Finally, the paper deals with the hardware and software integration of the flight simulator components and the testing and acceptance of the complete flight simulator. Examples of the so-called ‘Computer Generated Checkout’ and ‘Proof of Match’ are presented. The concluding remarks briefly summarize the status of flight simulator technology and consider possibilities for future research.

Tools for 3D scientific visualization in computational aerodynamics

NASA Technical Reports Server (NTRS)

Bancroft, Gordon; Plessel, Todd; Merritt, Fergus; Watson, Val

1989-01-01

The purpose is to describe the tools and techniques in use at the NASA Ames Research Center for performing visualization of computational aerodynamics, for example visualization of flow fields from computer simulations of fluid dynamics about vehicles such as the Space Shuttle. The hardware used for visualization is a high-performance graphics workstation connected to a super computer with a high speed channel. At present, the workstation is a Silicon Graphics IRIS 3130, the supercomputer is a CRAY2, and the high speed channel is a hyperchannel. The three techniques used for visualization are post-processing, tracking, and steering. Post-processing analysis is done after the simulation. Tracking analysis is done during a simulation but is not interactive, whereas steering analysis involves modifying the simulation interactively during the simulation. Using post-processing methods, a flow simulation is executed on a supercomputer and, after the simulation is complete, the results of the simulation are processed for viewing. The software in use and under development at NASA Ames Research Center for performing these types of tasks in computational aerodynamics is described. Workstation performance issues, benchmarking, and high-performance networks for this purpose are also discussed as well as descriptions of other hardware for digital video and film recording.

Methods of sound simulation and applications in flight simulators

NASA Technical Reports Server (NTRS)

Gaertner, K. P.

1980-01-01

An overview of methods for electronically synthesizing sounds is presented. A given amount of hardware and computer capacity places an upper limit on the degree and fidelity of realism of sound simulation which is attainable. Good sound realism for aircraft simulators can be especially expensive because of the complexity of flight sounds and their changing patterns through time. Nevertheless, the flight simulator developed at the Research Institute for Human Engineering, West Germany, shows that it is possible to design an inexpensive sound simulator with the required acoustic properties using analog computer elements. The characteristics of the sub-sound elements produced by this sound simulator for take-off, cruise and approach are discussed.

KU-Band rendezvous radar performance computer simulation model

NASA Technical Reports Server (NTRS)

Griffin, J. W.

1980-01-01

The preparation of a real time computer simulation model of the KU band rendezvous radar to be integrated into the shuttle mission simulator (SMS), the shuttle engineering simulator (SES), and the shuttle avionics integration laboratory (SAIL) simulator is described. To meet crew training requirements a radar tracking performance model, and a target modeling method were developed. The parent simulation/radar simulation interface requirements, and the method selected to model target scattering properties, including an application of this method to the SPAS spacecraft are described. The radar search and acquisition mode performance model and the radar track mode signal processor model are examined and analyzed. The angle, angle rate, range, and range rate tracking loops are also discussed.

Transfer of Training from Simulators to Operational Equipment--Are Simulators Effective?

ERIC Educational Resources Information Center

Thomson, Douglas R.

1989-01-01

Examines the degree of fidelity required of a computer simulation to ensure maximum transfer of training. Simulators used in the military services for training pilots are described; relationships between fidelity, transfer, and cost are explored; and feedback to the student and measures of training effectiveness are discussed. (nine references)…

Emulation of complex open quantum systems using superconducting qubits

NASA Astrophysics Data System (ADS)

Mostame, Sarah; Huh, Joonsuk; Kreisbeck, Christoph; Kerman, Andrew J.; Fujita, Takatoshi; Eisfeld, Alexander; Aspuru-Guzik, Alán

2017-02-01

With quantum computers being out of reach for now, quantum simulators are alternative devices for efficient and accurate simulation of problems that are challenging to tackle using conventional computers. Quantum simulators are classified into analog and digital, with the possibility of constructing "hybrid" simulators by combining both techniques. Here we focus on analog quantum simulators of open quantum systems and address the limit that they can beat classical computers. In particular, as an example, we discuss simulation of the chlorosome light-harvesting antenna from green sulfur bacteria with over 250 phonon modes coupled to each electronic state. Furthermore, we propose physical setups that can be used to reproduce the quantum dynamics of a standard and multiple-mode Holstein model. The proposed scheme is based on currently available technology of superconducting circuits consist of flux qubits and quantum oscillators.

Probabilistic Simulation for Nanocomposite Fracture

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

2010-01-01

A unique probabilistic theory is described to predict the uniaxial strengths and fracture properties of nanocomposites. The simulation is based on composite micromechanics with progressive substructuring down to a nanoscale slice of a nanofiber where all the governing equations are formulated. These equations have been programmed in a computer code. That computer code is used to simulate uniaxial strengths and fracture of a nanofiber laminate. The results are presented graphically and discussed with respect to their practical significance. These results show smooth distributions from low probability to high.

Stimulation of a turbofan engine for evaluation of multivariable optimal control concepts. [(computerized simulation)

NASA Technical Reports Server (NTRS)

Seldner, K.

1976-01-01

The development of control systems for jet engines requires a real-time computer simulation. The simulation provides an effective tool for evaluating control concepts and problem areas prior to actual engine testing. The development and use of a real-time simulation of the Pratt and Whitney F100-PW100 turbofan engine is described. The simulation was used in a multi-variable optimal controls research program using linear quadratic regulator theory. The simulation is used to generate linear engine models at selected operating points and evaluate the control algorithm. To reduce the complexity of the design, it is desirable to reduce the order of the linear model. A technique to reduce the order of the model; is discussed. Selected results between high and low order models are compared. The LQR control algorithms can be programmed on digital computer. This computer will control the engine simulation over the desired flight envelope.

ADDRESSING ENVIRONMENTAL ENGINEERING CHALLENGES WITH COMPUTATIONAL FLUID DYNAMICS

EPA Science Inventory

This paper discusses the status and application of Computational Fluid Dynamics )CFD) models to address environmental engineering challenges for more detailed understanding of air pollutant source emissions, atmospheric dispersion and resulting human exposure. CFD simulations ...

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)

Sonic and Supersonic Jet Plumes

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Development of Advanced Computational Aeroelasticity Tools at NASA Langley Research Center

NASA Technical Reports Server (NTRS)

Bartels, R. E.

2008-01-01

NASA Langley Research Center has continued to develop its long standing computational tools to address new challenges in aircraft and launch vehicle design. This paper discusses the application and development of those computational aeroelastic tools. Four topic areas will be discussed: 1) Modeling structural and flow field nonlinearities; 2) Integrated and modular approaches to nonlinear multidisciplinary analysis; 3) Simulating flight dynamics of flexible vehicles; and 4) Applications that support both aeronautics and space exploration.

Some Computer-Based Developments in Sociology.

ERIC Educational Resources Information Center

Heise, David R.; Simmons, Roberta G.

1985-01-01

Discusses several ways in which computers are being used in sociology and how they continue to change this discipline. Areas considered include data collection, data analysis, simulations of social processes based on mathematical models, and problem areas (including standardization concerns, training, and the financing of computing facilities).…

Optimized Materials From First Principles Simulations: Are We There Yet?

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

Galli, G; Gygi, F

2005-07-26

In the past thirty years, the use of scientific computing has become pervasive in all disciplines: collection and interpretation of most experimental data is carried out using computers, and physical models in computable form, with various degrees of complexity and sophistication, are utilized in all fields of science. However, full prediction of physical and chemical phenomena based on the basic laws of Nature, using computer simulations, is a revolution still in the making, and it involves some formidable theoretical and computational challenges. We illustrate the progress and successes obtained in recent years in predicting fundamental properties of materials in condensedmore » phases and at the nanoscale, using ab-initio, quantum simulations. We also discuss open issues related to the validation of the approximate, first principles theories used in large scale simulations, and the resulting complex interplay between computation and experiment. Finally, we describe some applications, with focus on nanostructures and liquids, both at ambient and under extreme conditions.« less

A Computational Framework for Efficient Low Temperature Plasma Simulations

NASA Astrophysics Data System (ADS)

Verma, Abhishek Kumar; Venkattraman, Ayyaswamy

2016-10-01

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

Probability Simulations by Non-Lipschitz Chaos

NASA Technical Reports Server (NTRS)

Zak, Michail

1996-01-01

It has been demonstrated that classical probabilities, and in particular, probabilistic Turing machine, can be simulated by combining chaos and non-Lipschitz dynamics, without utilization of any man-made devices. Self-organizing properties of systems coupling simulated and calculated probabilities and their link to quantum computations are discussed.

PROTO-PLASM: parallel language for adaptive and scalable modelling of biosystems.

PubMed

Bajaj, Chandrajit; DiCarlo, Antonio; Paoluzzi, Alberto

2008-09-13

This paper discusses the design goals and the first developments of PROTO-PLASM, a novel computational environment to produce libraries of executable, combinable and customizable computer models of natural and synthetic biosystems, aiming to provide a supporting framework for predictive understanding of structure and behaviour through multiscale geometric modelling and multiphysics simulations. Admittedly, the PROTO-PLASM platform is still in its infancy. Its computational framework--language, model library, integrated development environment and parallel engine--intends to provide patient-specific computational modelling and simulation of organs and biosystem, exploiting novel functionalities resulting from the symbolic combination of parametrized models of parts at various scales. PROTO-PLASM may define the model equations, but it is currently focused on the symbolic description of model geometry and on the parallel support of simulations. Conversely, CellML and SBML could be viewed as defining the behavioural functions (the model equations) to be used within a PROTO-PLASM program. Here we exemplify the basic functionalities of PROTO-PLASM, by constructing a schematic heart model. We also discuss multiscale issues with reference to the geometric and physical modelling of neuromuscular junctions.

Proto-Plasm: parallel language for adaptive and scalable modelling of biosystems

PubMed Central

Bajaj, Chandrajit; DiCarlo, Antonio; Paoluzzi, Alberto

2008-01-01

This paper discusses the design goals and the first developments of Proto-Plasm, a novel computational environment to produce libraries of executable, combinable and customizable computer models of natural and synthetic biosystems, aiming to provide a supporting framework for predictive understanding of structure and behaviour through multiscale geometric modelling and multiphysics simulations. Admittedly, the Proto-Plasm platform is still in its infancy. Its computational framework—language, model library, integrated development environment and parallel engine—intends to provide patient-specific computational modelling and simulation of organs and biosystem, exploiting novel functionalities resulting from the symbolic combination of parametrized models of parts at various scales. Proto-Plasm may define the model equations, but it is currently focused on the symbolic description of model geometry and on the parallel support of simulations. Conversely, CellML and SBML could be viewed as defining the behavioural functions (the model equations) to be used within a Proto-Plasm program. Here we exemplify the basic functionalities of Proto-Plasm, by constructing a schematic heart model. We also discuss multiscale issues with reference to the geometric and physical modelling of neuromuscular junctions. PMID:18559320

Developments in electron gun simulation

NASA Astrophysics Data System (ADS)

Herrmannsfeldt, W. B.

1997-01-01

This paper will discuss the developments in the electron gun simulation programs that are based on EGUN and its derivatives and supporting programs. Much of the code development has been inspired by technology changes in computer hardware; the implications on EGN2 of this evolution will be discussed. Some examples and a review of the capabilities of the EGUN family will be described.

Developments in the electron gun simulation program, EGUN

NASA Astrophysics Data System (ADS)

Herrmannsfeldt, W. B.

1994-11-01

This paper discusses the developments in the electron gun simulation programs that are based on EGUN with its derivatives and supporting programs. Much of the code development has been inspired by technology changes in computer hardware; the implications of this evolution on EGN2 are discussed. Some examples and a review of the capabilities of the EGUN family are described.

Developments in the electron gun simulation program, EGUN

NASA Astrophysics Data System (ADS)

Herrmannsfeldt, W. B.

1995-07-01

This paper discusses the developments in the electron gun simulation programs that are based on EGUN with its derivatives and supporting programs. Much of the code development has been inspired by technology changes in computer hardware; the implications of this evolution on EGN2 are discussed. Some examples and a review of the capabilities of the EGUN family are described.

Advances in Integrated Computational Materials Engineering "ICME"

NASA Astrophysics Data System (ADS)

Hirsch, Jürgen

The methods of Integrated Computational Materials Engineering that were developed and successfully applied for Aluminium have been constantly improved. The main aspects and recent advances of integrated material and process modeling are simulations of material properties like strength and forming properties and for the specific microstructure evolution during processing (rolling, extrusion, annealing) under the influence of material constitution and process variations through the production process down to the final application. Examples are discussed for the through-process simulation of microstructures and related properties of Aluminium sheet, including DC ingot casting, pre-heating and homogenization, hot and cold rolling, final annealing. New results are included of simulation solution annealing and age hardening of 6xxx alloys for automotive applications. Physically based quantitative descriptions and computer assisted evaluation methods are new ICME methods of integrating new simulation tools also for customer applications, like heat affected zones in welding of age hardening alloys. The aspects of estimating the effect of specific elements due to growing recycling volumes requested also for high end Aluminium products are also discussed, being of special interest in the Aluminium producing industries.

Simulation of Stagnation Region Heating in Hypersonic Flow on Tetrahedral Grids

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.

2007-01-01

Hypersonic flow simulations using the node based, unstructured grid code FUN3D are presented. Applications include simple (cylinder) and complex (towed ballute) configurations. Emphasis throughout is on computation of stagnation region heating in hypersonic flow on tetrahedral grids. Hypersonic flow over a cylinder provides a simple test problem for exposing any flaws in a simulation algorithm with regard to its ability to compute accurate heating on such grids. Such flaws predominantly derive from the quality of the captured shock. The importance of pure tetrahedral formulations are discussed. Algorithm adjustments for the baseline Roe / Symmetric, Total-Variation-Diminishing (STVD) formulation to deal with simulation accuracy are presented. Formulations of surface normal gradients to compute heating and diffusion to the surface as needed for a radiative equilibrium wall boundary condition and finite catalytic wall boundary in the node-based unstructured environment are developed. A satisfactory resolution of the heating problem on tetrahedral grids is not realized here; however, a definition of a test problem, and discussion of observed algorithm behaviors to date are presented in order to promote further research on this important problem.

ANOPP/VMS HSCT ground contour system

NASA Technical Reports Server (NTRS)

Rawls, John, Jr.; Glaab, Lou

1992-01-01

This viewgraph shows the integration of the Visual Motion Simulator with ANOPP. ANOPP is an acronym for the Aircraft NOise Prediction Program. It is a computer code consisting of dedicated noise prediction modules for jet, propeller, and rotor powered aircraft along with flight support and noise propagation modules, all executed under the control of an executive system. The Visual Motion Simulator (VMS) is a ground based motion simulator with six degrees of freedom. The transport-type cockpit is equipped with conventional flight and engine-thrust controls and with flight instrument displays. Control forces on the wheel, column, and rudder pedals are provided by a hydraulic system coupled with an analog computer. The simulator provides variable-feel characteristics of stiffness, damping, coulomb friction, breakout forces, and inertia. The VMS provides a wide range of realistic flight trajectories necessary for computing accurate ground contours. The NASA VMS will be discussed in detail later in this presentation. An equally important part of the system for both ANOPP and VMS is the engine performance. This will also be discussed in the presentation.

GPS synchronized power system phase angle measurements

NASA Astrophysics Data System (ADS)

Wilson, Robert E.; Sterlina, Patrick S.

1994-09-01

This paper discusses the use of Global Positioning System (GPS) synchronized equipment for the measurement and analysis of key power system quantities. Two GPS synchronized phasor measurement units (PMU) were installed before testing. It was indicated that PMUs recorded the dynamic response of the power system phase angles when the northern California power grid was excited by the artificial short circuits. Power system planning engineers perform detailed computer generated simulations of the dynamic response of the power system to naturally occurring short circuits. The computer simulations use models of transmission lines, transformers, circuit breakers, and other high voltage components. This work will compare computer simulations of the same event with field measurement.

Method for simulating paint mixing on computer monitors

NASA Astrophysics Data System (ADS)

Carabott, Ferdinand; Lewis, Garth; Piehl, Simon

2002-06-01

Computer programs like Adobe Photoshop can generate a mixture of two 'computer' colors by using the Gradient control. However, the resulting colors diverge from the equivalent paint mixtures in both hue and value. This study examines why programs like Photoshop are unable to simulate paint or pigment mixtures, and offers a solution using Photoshops existing tools. The article discusses how a library of colors, simulating paint mixtures, is created from 13 artists' colors. The mixtures can be imported into Photoshop as a color swatch palette of 1248 colors and as 78 continuous or stepped gradient files, all accessed in a new software package, Chromafile.

CYBER 200 Applications Seminar

NASA Technical Reports Server (NTRS)

Gary, J. P. (Compiler)

1984-01-01

Applications suited for the CYBER 200 digital computer are discussed. Various areas of application including meteorology, algorithms, fluid dynamics, monte carlo methods, petroleum, electronic circuit simulation, biochemistry, lattice gauge theory, economics and ray tracing are discussed.

[The characteristics of computer simulation of traffic accidents].

PubMed

Zou, Dong-Hua; Liu, Ning-Guo; Chen, Jian-Guo; Jin, Xian-Long; Zhang, Xiao-Yun; Zhang, Jian-Hua; Chen, Yi-Jiu

2008-12-01

To reconstruct the collision process of traffic accident and the injury mode of the victim by computer simulation technology in forensic assessment of traffic accident. Forty actual accidents were reconstructed by stimulation software and high performance computer based on analysis of the trace evidences at the scene, damage of the vehicles and injury of the victims, with 2 cases discussed in details. The reconstruction correlated very well in 28 cases, well in 9 cases, and suboptimal in 3 cases with the above parameters. Accurate reconstruction of the accident would be helpful for assessment of the injury mechanism of the victims. Reconstruction of the collision process of traffic accident and the injury mechanism of the victim by computer simulation is useful in traffic accident assessment.

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

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

Jalving, Jordan; Abhyankar, Shrirang; Kim, Kibaek

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

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

DOE PAGES

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

2017-04-24

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

Computer simulation of surface and film processes

NASA Technical Reports Server (NTRS)

Tiller, W. A.; Halicioglu, M. T.

1983-01-01

Adequate computer methods, based on interactions between discrete particles, provide information leading to an atomic level understanding of various physical processes. The success of these simulation methods, however, is related to the accuracy of the potential energy function representing the interactions among the particles. The development of a potential energy function for crystalline SiO2 forms that can be employed in lengthy computer modelling procedures was investigated. In many of the simulation methods which deal with discrete particles, semiempirical two body potentials were employed to analyze energy and structure related properties of the system. Many body interactions are required for a proper representation of the total energy for many systems. Many body interactions for simulations based on discrete particles are discussed.

Application of real-time engine simulations to the development of propulsion system controls

NASA Technical Reports Server (NTRS)

Szuch, J. R.

1975-01-01

The development of digital controls for turbojet and turbofan engines is presented by the use of real-time computer simulations of the engines. The engine simulation provides a test-bed for evaluating new control laws and for checking and debugging control software and hardware prior to engine testing. The development and use of real-time, hybrid computer simulations of the Pratt and Whitney TF30-P-3 and F100-PW-100 augmented turbofans are described in support of a number of controls research programs at the Lewis Research Center. The role of engine simulations in solving the propulsion systems integration problem is also discussed.

A PICKSC Science Gateway for enabling the common plasma physicist to run kinetic software

NASA Astrophysics Data System (ADS)

Hu, Q.; Winjum, B. J.; Zonca, A.; Youn, C.; Tsung, F. S.; Mori, W. B.

2017-10-01

Computer simulations offer tremendous opportunities for studying plasmas, ranging from simulations for students that illuminate fundamental educational concepts to research-level simulations that advance scientific knowledge. Nevertheless, there is a significant hurdle to using simulation tools. Users must navigate codes and software libraries, determine how to wrangle output into meaningful plots, and oftentimes confront a significant cyberinfrastructure with powerful computational resources. Science gateways offer a Web-based environment to run simulations without needing to learn or manage the underlying software and computing cyberinfrastructure. We discuss our progress on creating a Science Gateway for the Particle-in-Cell and Kinetic Simulation Software Center that enables users to easily run and analyze kinetic simulations with our software. We envision that this technology could benefit a wide range of plasma physicists, both in the use of our simulation tools as well as in its adaptation for running other plasma simulation software. Supported by NSF under Grant ACI-1339893 and by the UCLA Institute for Digital Research and Education.

Computer Modeling of Microbiological Experiments in the Teaching Laboratory: Animation Techniques.

ERIC Educational Resources Information Center

Tritz, Gerald J.

1987-01-01

Discusses the use of computer assisted instruction in the medical education program of the Kirksville College of Osteopathic Medicine (Missouri). Describes the animation techniques used in a series of simulations for microbiology. (TW)

Conjugate Gradient Algorithms For Manipulator Simulation

NASA Technical Reports Server (NTRS)

Fijany, Amir; Scheid, Robert E.

1991-01-01

Report discusses applicability of conjugate-gradient algorithms to computation of forward dynamics of robotic manipulators. Rapid computation of forward dynamics essential to teleoperation and other advanced robotic applications. Part of continuing effort to find algorithms meeting requirements for increased computational efficiency and speed. Method used for iterative solution of systems of linear equations.

Computer Games: Increase Learning in an Interactive Multidisciplinary Environment.

ERIC Educational Resources Information Center

Betz, Joseph A.

1996-01-01

Discusses the educational uses of computer games and simulations and describes a study conducted at the State University of New York College at Farmingdale that used the computer game "Sim City 2000." Highlights include whole systems learning, problem solving, student performance, nonparametric statistics, and treatment of experimental…

Computer Series, 102: Bits and Pieces, 40.

ERIC Educational Resources Information Center

Birk, James P., Ed.

1989-01-01

Discussed are seven computer programs: (1) a computer graphics experiment for organic chemistry laboratory; (2) a gel filtration simulation; (3) judging spelling correctness; (4) interfacing the TLC548 ADC; (5) a digitizing circuit for the Apple II game port; (6) a chemical information base; and (7) an IBM PC article database. (MVL)

Educationally and Cost Effective: Computers in the Classroom.

ERIC Educational Resources Information Center

Agee, Roy

1986-01-01

The author states that the educational community must provide programs that assure students they will be able to learn how to use and control computers. He discusses micro labs, prerequisites to computer literacy, curriculum development, teaching methods, simulation projects, a systems analysis project, new job titles, and primary basic skills…

Simulation study of entropy production in the one-dimensional Vlasov system

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

Dai, Zongliang, E-mail: liangliang1223@gmail.com; Wang, Shaojie

2016-07-15

The coarse-grain averaged distribution function of the one-dimensional Vlasov system is obtained by numerical simulation. The entropy productions in cases of the random field, the linear Landau damping, and the bump-on-tail instability are computed with the coarse-grain averaged distribution function. The computed entropy production is converged with increasing length of coarse-grain average. When the distribution function differs slightly from a Maxwellian distribution, the converged value agrees with the result computed by using the definition of thermodynamic entropy. The length of the coarse-grain average to compute the coarse-grain averaged distribution function is discussed.

Availability Simulation of AGT Systems

DOT National Transportation Integrated Search

1975-02-01

The report discusses the analytical and simulation procedures that were used to evaluate the effects of failure in a complex dual mode transportation system based on a worst case study-state condition. The computed results are an availability figure ...

Simulation of spacecraft attitude dynamics using TREETOPS and model-specific computer Codes

NASA Technical Reports Server (NTRS)

Cochran, John E.; No, T. S.; Fitz-Coy, Norman G.

1989-01-01

The simulation of spacecraft attitude dynamics and control using the generic, multi-body code called TREETOPS and other codes written especially to simulate particular systems is discussed. Differences in the methods used to derive equations of motion--Kane's method for TREETOPS and the Lagrangian and Newton-Euler methods, respectively, for the other two codes--are considered. Simulation results from the TREETOPS code are compared with those from the other two codes for two example systems. One system is a chain of rigid bodies; the other consists of two rigid bodies attached to a flexible base body. Since the computer codes were developed independently, consistent results serve as a verification of the correctness of all the programs. Differences in the results are discussed. Results for the two-rigid-body, one-flexible-body system are useful also as information on multi-body, flexible, pointing payload dynamics.

A High-Performance Cellular Automaton Model of Tumor Growth with Dynamically Growing Domains

PubMed Central

Poleszczuk, Jan; Enderling, Heiko

2014-01-01

Tumor growth from a single transformed cancer cell up to a clinically apparent mass spans many spatial and temporal orders of magnitude. Implementation of cellular automata simulations of such tumor growth can be straightforward but computing performance often counterbalances simplicity. Computationally convenient simulation times can be achieved by choosing appropriate data structures, memory and cell handling as well as domain setup. We propose a cellular automaton model of tumor growth with a domain that expands dynamically as the tumor population increases. We discuss memory access, data structures and implementation techniques that yield high-performance multi-scale Monte Carlo simulations of tumor growth. We discuss tumor properties that favor the proposed high-performance design and present simulation results of the tumor growth model. We estimate to which parameters the model is the most sensitive, and show that tumor volume depends on a number of parameters in a non-monotonic manner. PMID:25346862

Terminal area air traffic control simulation

NASA Technical Reports Server (NTRS)

1977-01-01

To study the impact of advanced aeronautical technologies on operations to and from terminal airports, a computer model of air traffic movements was developed. The advantages of fast-time simulation are discussed, and the arrival scheduling and flight simulation are described. A New York area study, user's guide, and programmer's guide are included.

Developments in the simulation of compressible inviscid and viscous flow on supercomputers

NASA Technical Reports Server (NTRS)

Steger, J. L.; Buning, P. G.

1985-01-01

In anticipation of future supercomputers, finite difference codes are rapidly being extended to simulate three-dimensional compressible flow about complex configurations. Some of these developments are reviewed. The importance of computational flow visualization and diagnostic methods to three-dimensional flow simulation is also briefly discussed.

Analysis, preliminary design and simulation systems for control-structure interaction problems

NASA Technical Reports Server (NTRS)

Park, K. C.; Alvin, Kenneth F.

1991-01-01

Software aspects of control-structure interaction (CSI) analysis are discussed. The following subject areas are covered: (1) implementation of a partitioned algorithm for simulation of large CSI problems; (2) second-order discrete Kalman filtering equations for CSI simulations; and (3) parallel computations and control of adaptive structures.

The Shuttle Mission Simulator computer generated imagery

NASA Technical Reports Server (NTRS)

Henderson, T. H.

1984-01-01

Equipment available in the primary training facility for the Space Transportation System (STS) flight crews includes the Fixed Base Simulator, the Motion Base Simulator, the Spacelab Simulator, and the Guidance and Navigation Simulator. The Shuttle Mission Simulator (SMS) consists of the Fixed Base Simulator and the Motion Base Simulator. The SMS utilizes four visual Computer Generated Image (CGI) systems. The Motion Base Simulator has a forward crew station with six-degrees of freedom motion simulation. Operation of the Spacelab Simulator is planned for the spring of 1983. The Guidance and Navigation Simulator went into operation in 1982. Aspects of orbital visual simulation are discussed, taking into account the earth scene, payload simulation, the generation and display of 1079 stars, the simulation of sun glare, and Reaction Control System jet firing plumes. Attention is also given to landing site visual simulation, and night launch and landing simulation.

Instructional support and implementation structure during elementary teachers' science education simulation use

NASA Astrophysics Data System (ADS)

Gonczi, Amanda L.; Chiu, Jennifer L.; Maeng, Jennifer L.; Bell, Randy L.

2016-07-01

This investigation sought to identify patterns in elementary science teachers' computer simulation use, particularly implementation structures and instructional supports commonly employed by teachers. Data included video-recorded science lessons of 96 elementary teachers who used computer simulations in one or more science lessons. Results indicated teachers used a one-to-one student-to-computer ratio most often either during class-wide individual computer use or during a rotating station structure. Worksheets, general support, and peer collaboration were the most common forms of instructional support. The least common instructional support forms included lesson pacing, initial play, and a closure discussion. Students' simulation use was supported in the fewest ways during a rotating station structure. Results suggest that simulation professional development with elementary teachers needs to explicitly focus on implementation structures and instructional support to enhance participants' pedagogical knowledge and improve instructional simulation use. In addition, research is needed to provide theoretical explanations for the observed patterns that should subsequently be addressed in supporting teachers' instructional simulation use during professional development or in teacher preparation programs.

The World According to Malthus and Volterra: The Mathematical Theory of the Struggle for Existence.

ERIC Educational Resources Information Center

Bogdanov, Constantine

1992-01-01

Discusses the mathematical model presented by Vito Volterra to describe the dynamics of population density. Discusses the predator prey relationship, presents an computer simulated model from marine life involving sharks and mackerels, and discusses ecological chaos. (MDH)

Tether Dynamics Simulation

NASA Technical Reports Server (NTRS)

1987-01-01

The proceedings of the conference are presented. The objective was to provide a forum for the discussion of the structure and status of existing computer programs which are used to simulate the dynamics of a variety of tether applications in space. A major topic was different simulation models and the process of validating them. Guidance on future work in these areas was obtained from a panel discussion; the panel was composed of resource and technical managers and dynamic analysts in the tether field. The conclusions of this panel are also presented.

Computational Challenges of Viscous Incompressible Flows

NASA Technical Reports Server (NTRS)

Kwak, Dochan; Kiris, Cetin; Kim, Chang Sung

2004-01-01

Over the past thirty years, numerical methods and simulation tools for incompressible flows have been advanced as a subset of the computational fluid dynamics (CFD) discipline. Although incompressible flows are encountered in many areas of engineering, simulation of compressible flow has been the major driver for developing computational algorithms and tools. This is probably due to the rather stringent requirements for predicting aerodynamic performance characteristics of flight vehicles, while flow devices involving low-speed or incompressible flow could be reasonably well designed without resorting to accurate numerical simulations. As flow devices are required to be more sophisticated and highly efficient CFD took become increasingly important in fluid engineering for incompressible and low-speed flow. This paper reviews some of the successes made possible by advances in computational technologies during the same period, and discusses some of the current challenges faced in computing incompressible flows.

Computer model of cardiovascular control system responses to exercise

NASA Technical Reports Server (NTRS)

Croston, R. C.; Rummel, J. A.; Kay, F. J.

1973-01-01

Approaches of systems analysis and mathematical modeling together with computer simulation techniques are applied to the cardiovascular system in order to simulate dynamic responses of the system to a range of exercise work loads. A block diagram of the circulatory model is presented, taking into account arterial segments, venous segments, arterio-venous circulation branches, and the heart. A cardiovascular control system model is also discussed together with model test results.

Procedure for Adapting Direct Simulation Monte Carlo Meshes

NASA Technical Reports Server (NTRS)

Woronowicz, Michael S.; Wilmoth, Richard G.; Carlson, Ann B.; Rault, Didier F. G.

1992-01-01

A technique is presented for adapting computational meshes used in the G2 version of the direct simulation Monte Carlo method. The physical ideas underlying the technique are discussed, and adaptation formulas are developed for use on solutions generated from an initial mesh. The effect of statistical scatter on adaptation is addressed, and results demonstrate the ability of this technique to achieve more accurate results without increasing necessary computational resources.

Computers for Interactive Learning.

ERIC Educational Resources Information Center

Grabowski, Barbara; Aggen, William

1984-01-01

Analyzes features of computer-based interactive video including sophisticated answer judging, diagnostic feedback, simulation, animation, audible tones, touch sensitive screen, function keys, and video enhancements, and matches these to the characteristics and pedagogical styles of learners. The learner characteristics discussed include internal…

Molecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls and caveats

NASA Astrophysics Data System (ADS)

Stalter, S.; Yelash, L.; Emamy, N.; Statt, A.; Hanke, M.; Lukáčová-Medvid'ová, M.; Virnau, P.

2018-03-01

Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations typically pose a computational bottleneck, which we investigate in detail in this study. We find that it is preferable to simulate many small systems as opposed to a few large systems, and that a choice of a simple isokinetic thermostat is typically sufficient while thermostats such as Lowe-Andersen allow for simulations at elevated viscosity. We discuss suitable choices for time steps and finite-size effects which arise in the limit of very small simulation boxes. We also argue that if colloidal systems are considered as opposed to atomistic systems, the gap between microscopic and macroscopic simulations regarding time and length scales is significantly smaller. We propose a novel reduced-order technique for the coupling to the macroscopic solver, which allows us to approximate a non-linear stress-strain relation efficiently and thus further reduce computational effort of microscopic simulations.

Virtual reality simulation in neurosurgery: technologies and evolution.

PubMed

Chan, Sonny; Conti, François; Salisbury, Kenneth; Blevins, Nikolas H

2013-01-01

Neurosurgeons are faced with the challenge of learning, planning, and performing increasingly complex surgical procedures in which there is little room for error. With improvements in computational power and advances in visual and haptic display technologies, virtual surgical environments can now offer potential benefits for surgical training, planning, and rehearsal in a safe, simulated setting. This article introduces the various classes of surgical simulators and their respective purposes through a brief survey of representative simulation systems in the context of neurosurgery. Many technical challenges currently limit the application of virtual surgical environments. Although we cannot yet expect a digital patient to be indistinguishable from reality, new developments in computational methods and related technology bring us closer every day. We recognize that the design and implementation of an immersive virtual reality surgical simulator require expert knowledge from many disciplines. This article highlights a selection of recent developments in research areas related to virtual reality simulation, including anatomic modeling, computer graphics and visualization, haptics, and physics simulation, and discusses their implication for the simulation of neurosurgery.

Microcomputer Simulation of Real Gases--Part 1.

ERIC Educational Resources Information Center

Sperandeo-Mineo, R. M.; Tripi, G.

1987-01-01

Describes some simple computer programs designed to simulate the molecular dynamics of two-dimensional systems with a Lennard-Jones interaction potential. Discusses the use of the software in introductory physics courses at the high school and college level. (TW)

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)

Teaching Strategies for Using Projected Images to Develop Conceptual Understanding: Exploring Discussion Practices in Computer Simulation and Static Image-Based Lessons

ERIC Educational Resources Information Center

Price, Norman T.

2013-01-01

The availability and sophistication of visual display images, such as simulations, for use in science classrooms has increased exponentially however, it can be difficult for teachers to use these images to encourage and engage active student thinking. There is a need to describe flexible discussion strategies that use visual media to engage active…

Assessment of CFD Estimation of Aerodynamic Characteristics of Basic Reusable Rocket Configurations

NASA Astrophysics Data System (ADS)

Fujimoto, Keiichiro; Fujii, Kozo

Flow-fields around the basic SSTO-rocket configurations are numerically simulated by the Reynolds-averaged Navier-Stokes (RANS) computations. Simulations of the Apollo-like configuration is first carried out, where the results are compared with NASA experiments and the prediction ability of the RANS simulation is discussed. The angle of attack of the freestream ranges from 0° to 180° and the freestream Mach number ranges from 0.7 to 2.0. Computed aerodynamic coefficients for the Apollo-like configuration agree well with the experiments under a wide range of flow conditions. The flow simulations around the slender Apollo-type configuration are carried out next and the results are compared with the experiments. Computed aerodynamic coefficients also agree well with the experiments. Flow-fields are dominated by the three-dimensional massively separated flow, which should be captured for accurate aerodynamic prediction. Grid refinement effects on the computed aerodynamic coefficients are investigated comprehensively.

Computational Modeling and Treatment Identification in the Myelodysplastic Syndromes.

PubMed

Drusbosky, Leylah M; Cogle, Christopher R

2017-10-01

This review discusses the need for computational modeling in myelodysplastic syndromes (MDS) and early test results. As our evolving understanding of MDS reveals a molecularly complicated disease, the need for sophisticated computer analytics is required to keep track of the number and complex interplay among the molecular abnormalities. Computational modeling and digital drug simulations using whole exome sequencing data input have produced early results showing high accuracy in predicting treatment response to standard of care drugs. Furthermore, the computational MDS models serve as clinically relevant MDS cell lines for pre-clinical assays of investigational agents. MDS is an ideal disease for computational modeling and digital drug simulations. Current research is focused on establishing the prediction value of computational modeling. Future research will test the clinical advantage of computer-informed therapy in MDS.

Simulation and evaluation of latent heat thermal energy storage

NASA Technical Reports Server (NTRS)

Sigmon, T. W.

1980-01-01

The relative value of thermal energy storage (TES) for heat pump storage (heating and cooling) as a function of storage temperature, mode of storage (hotside or coldside), geographic locations, and utility time of use rate structures were derived. Computer models used to simulate the performance of a number of TES/heat pump configurations are described. The models are based on existing performance data of heat pump components, available building thermal load computational procedures, and generalized TES subsystem design. Life cycle costs computed for each site, configuration, and rate structure are discussed.

JETSPIN: A specific-purpose open-source software for simulations of nanofiber electrospinning

NASA Astrophysics Data System (ADS)

Lauricella, Marco; Pontrelli, Giuseppe; Coluzza, Ivan; Pisignano, Dario; Succi, Sauro

2015-12-01

We present the open-source computer program JETSPIN, specifically designed to simulate the electrospinning process of nanofibers. Its capabilities are shown with proper reference to the underlying model, as well as a description of the relevant input variables and associated test-case simulations. The various interactions included in the electrospinning model implemented in JETSPIN are discussed in detail. The code is designed to exploit different computational architectures, from single to parallel processor workstations. This paper provides an overview of JETSPIN, focusing primarily on its structure, parallel implementations, functionality, performance, and availability.

Computational efficiency and Amdahl’s law for the adaptive resolution simulation technique

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

Junghans, Christoph; Agarwal, Animesh; Delle Site, Luigi

Here, we discuss the computational performance of the adaptive resolution technique in molecular simulation when it is compared with equivalent full coarse-grained and full atomistic simulations. We show that an estimate of its efficiency, within 10%–15% accuracy, is given by the Amdahl’s Law adapted to the specific quantities involved in the problem. The derivation of the predictive formula is general enough that it may be applied to the general case of molecular dynamics approaches where a reduction of degrees of freedom in a multi scale fashion occurs.

LAVA Simulations for the AIAA Sonic Boom Prediction Workshop

NASA Technical Reports Server (NTRS)

Housman, Jeffrey A.; Sozer, Emre; Moini-Yekta , Shayan; Kiris, Cetin C.

2014-01-01

Computational simulations using the Launch Ascent and Vehicle Aerodynamics (LAVA) framework are presented for the First AIAA Sonic Boom Prediction Workshop test cases. The framework is utilized with both structured overset and unstructured meshing approaches. The three workshop test cases include an axisymmetric body, a Delta Wing-Body model, and a complete low-boom supersonic transport concept. Solution sensitivity to mesh type and sizing, and several numerical convective flux discretization choices are presented and discussed. Favorable comparison between the computational simulations and experimental data of nearand mid-field pressure signatures were obtained.

Computational efficiency and Amdahl’s law for the adaptive resolution simulation technique

DOE PAGES

Junghans, Christoph; Agarwal, Animesh; Delle Site, Luigi

2017-06-01

Here, we discuss the computational performance of the adaptive resolution technique in molecular simulation when it is compared with equivalent full coarse-grained and full atomistic simulations. We show that an estimate of its efficiency, within 10%–15% accuracy, is given by the Amdahl’s Law adapted to the specific quantities involved in the problem. The derivation of the predictive formula is general enough that it may be applied to the general case of molecular dynamics approaches where a reduction of degrees of freedom in a multi scale fashion occurs.

Free Energy and Heat Capacity

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

Kurata, Masaki; Devanathan, Ramaswami

2015-10-13

Free energy and heat capacity of actinide elements and compounds are important properties for the evaluation of the safety and reliable performance of nuclear fuel. They are essential inputs for models that describe complex phenomena that govern the behaviour of actinide compounds during nuclear fuel fabrication and irradiation. This chapter introduces various experimental methods to measure free energy and heat capacity to serve as inputs for models and to validate computer simulations. This is followed by a discussion of computer simulation of these properties, and recent simulations of thermophysical properties of nuclear fuel are briefly reviewed.

Patient-Specific Geometry Modeling and Mesh Generation for Simulating Obstructive Sleep Apnea Syndrome Cases by Maxillomandibular Advancement

PubMed Central

Ito, Yasushi; Cheng, Gary C.; Shih, Alan M.; Koomullil, Roy P.; Soni, Bharat K.; Sittitavornwong, Somsak; Waite, Peter D.

2011-01-01

The objective of this paper is the reconstruction of upper airway geometric models as hybrid meshes from clinically used Computed Tomography (CT) data sets in order to understand the dynamics and behaviors of the pre- and postoperative upper airway systems of Obstructive Sleep Apnea Syndrome (OSAS) patients by viscous Computational Fluid Dynamics (CFD) simulations. The selection criteria for OSAS cases studied are discussed because two reasonable pre- and postoperative upper airway models for CFD simulations may not be created for every case without a special protocol for CT scanning. The geometry extraction and manipulation methods are presented with technical barriers that must be overcome so that they can be used along with computational simulation software as a daily clinical evaluation tool. Eight cases are presented in this paper, and each case consists of pre- and postoperative configurations. The results of computational simulations of two cases are included in this paper as demonstration. PMID:21625395

To simulate or not to simulate: what are the questions?

PubMed

Dudai, Yadin; Evers, Kathinka

2014-10-22

Simulation is a powerful method in science and engineering. However, simulation is an umbrella term, and its meaning and goals differ among disciplines. Rapid advances in neuroscience and computing draw increasing attention to large-scale brain simulations. What is the meaning of simulation, and what should the method expect to achieve? We discuss the concept of simulation from an integrated scientific and philosophical vantage point and pinpoint selected issues that are specific to brain simulation.

(Extreme) Core-collapse Supernova Simulations

NASA Astrophysics Data System (ADS)

Mösta, Philipp

2017-01-01

In this talk I will present recent progress on modeling core-collapse supernovae with massively parallel simulations on the largest supercomputers available. I will discuss the unique challenges in both input physics and computational modeling that come with a problem involving all four fundamental forces and relativistic effects and will highlight recent breakthroughs overcoming these challenges in full 3D simulations. I will pay particular attention to how these simulations can be used to reveal the engines driving some of the most extreme explosions and conclude by discussing what remains to be done in simulation work to maximize what we can learn from current and future time-domain astronomy transient surveys.

Molecular Dynamics Simulations of Nucleic Acids. From Tetranucleotides to the Ribosome.

PubMed

Šponer, Jiří; Banáš, Pavel; Jurečka, Petr; Zgarbová, Marie; Kührová, Petra; Havrila, Marek; Krepl, Miroslav; Stadlbauer, Petr; Otyepka, Michal

2014-05-15

We present a brief overview of explicit solvent molecular dynamics (MD) simulations of nucleic acids. We explain physical chemistry limitations of the simulations, namely, the molecular mechanics (MM) force field (FF) approximation and limited time scale. Further, we discuss relations and differences between simulations and experiments, compare standard and enhanced sampling simulations, discuss the role of starting structures, comment on different versions of nucleic acid FFs, and relate MM computations with contemporary quantum chemistry. Despite its limitations, we show that MD is a powerful technique for studying the structural dynamics of nucleic acids with a fast growing potential that substantially complements experimental results and aids their interpretation.

Model-free simulations of turbulent reactive flows

NASA Technical Reports Server (NTRS)

Givi, Peyman

1989-01-01

The current computational methods for solving transport equations of turbulent reacting single-phase flows are critically reviewed, with primary attention given to those methods that lead to model-free simulations. In particular, consideration is given to direct numerical simulations using spectral (Galerkin) and pseudospectral (collocation) methods, spectral element methods, and Lagrangian methods. The discussion also covers large eddy simulations and turbulence modeling.

Incompressible Navier-Stokes Solvers in Primative Variables and their Applications to Steady and Unsteady Flow Simulations

NASA Technical Reports Server (NTRS)

Kiris, Cetin C.; Kwak, Dochan; Rogers, Stuart E.

2002-01-01

This paper reviews recent progress made in incompressible Navier-Stokes simulation procedures and their application to problems of engineering interest. Discussions are focused on the methods designed for complex geometry applications in three dimensions, and thus are limited to primitive variable formulation. A summary of efforts in flow solver development is given followed by numerical studies of a few example problems of current interest. Both steady and unsteady solution algorithms and their salient features are discussed. Solvers discussed here are based on a structured-grid approach using either a finite -difference or a finite-volume frame work. As a grand-challenge application of these solvers, an unsteady turbopump flow simulation procedure has been developed which utilizes high performance computing platforms. In the paper, the progress toward the complete simulation capability of the turbo-pump for a liquid rocket engine is reported. The Space Shuttle Main Engine (SSME) turbo-pump is used as a test case for evaluation of two parallel computing algorithms that have been implemented in the INS3D code. The relative motion of the grid systems for the rotorstator interaction was obtained using overact grid techniques. Unsteady computations for the SSME turbo-pump, which contains 114 zones with 34.5 million grid points, are carried out on SCSI Origin 3000 systems at NASA Ames Research Center. The same procedure has been extended to the development of NASA-DeBakey Ventricular Assist Device (VAD) that is based on an axial blood pump. Computational, and clinical analysis of this device are presented.

Full Motion Flight Simulator in the Classroom

ERIC Educational Resources Information Center

Christensen, Brad

2005-01-01

Virtual flight can be very entertaining, and computer-based simulators can also be educational, if organized and used correctly. When Berea College decided to find a flight simulator suited to the school's educational goals, the faculty settled on an ANT-18 Link trainer. This article begins with a discussion of Link trainers' history, and then…

One-Dimensional Collision Carts Computer Model and Its Design Ideas for Productive Experiential Learning

ERIC Educational Resources Information Center

Wee, Loo Kang

2012-01-01

We develop an Easy Java Simulation (EJS) model for students to experience the physics of idealized one-dimensional collision carts. The physics model is described and simulated by both continuous dynamics and discrete transition during collision. In designing the simulations, we discuss briefly three pedagogical considerations namely (1) a…

Ideas in Practice (3): A Simulated Laboratory Experience in Digital Design.

ERIC Educational Resources Information Center

Cleaver, Thomas G.

1988-01-01

Gives an example of the use of a simplified logic simulator in a logic design course. Discusses some problems in logic design classes, commercially available software, and software problems. Describes computer-aided engineering (CAE) software. Lists 14 experiments in the simulated laboratory and presents students' evaluation of the course. (YP)

Demonstrating Computer Simulation Development for Intermediate and Middle School Applications.

ERIC Educational Resources Information Center

Fyffe, Darrel W.; And Others

This discussion of the use of microcomputers to simulate complex situations for classroom use describes the advantages of using simulations, including their adaptability to many subject areas and content fields, their power to explain complex concepts, and their ability to provide variations for individual users. As an example, seven objectives…

SAGRAD: A Program for Neural Network Training with Simulated Annealing and the Conjugate Gradient Method.

PubMed

Bernal, Javier; Torres-Jimenez, Jose

2015-01-01

SAGRAD (Simulated Annealing GRADient), a Fortran 77 program for computing neural networks for classification using batch learning, is discussed. Neural network training in SAGRAD is based on a combination of simulated annealing and Møller's scaled conjugate gradient algorithm, the latter a variation of the traditional conjugate gradient method, better suited for the nonquadratic nature of neural networks. Different aspects of the implementation of the training process in SAGRAD are discussed, such as the efficient computation of gradients and multiplication of vectors by Hessian matrices that are required by Møller's algorithm; the (re)initialization of weights with simulated annealing required to (re)start Møller's algorithm the first time and each time thereafter that it shows insufficient progress in reaching a possibly local minimum; and the use of simulated annealing when Møller's algorithm, after possibly making considerable progress, becomes stuck at a local minimum or flat area of weight space. Outlines of the scaled conjugate gradient algorithm, the simulated annealing procedure and the training process used in SAGRAD are presented together with results from running SAGRAD on two examples of training data.

Influence of simulation parameters on the speed and accuracy of Monte Carlo calculations using PENEPMA

NASA Astrophysics Data System (ADS)

Llovet, X.; Salvat, F.

2018-01-01

The accuracy of Monte Carlo simulations of EPMA measurements is primarily determined by that of the adopted interaction models and atomic relaxation data. The code PENEPMA implements the most reliable general models available, and it is known to provide a realistic description of electron transport and X-ray emission. Nonetheless, efficiency (i.e., the simulation speed) of the code is determined by a number of simulation parameters that define the details of the electron tracking algorithm, which may also have an effect on the accuracy of the results. In addition, to reduce the computer time needed to obtain X-ray spectra with a given statistical accuracy, PENEPMA allows the use of several variance-reduction techniques, defined by a set of specific parameters. In this communication we analyse and discuss the effect of using different values of the simulation and variance-reduction parameters on the speed and accuracy of EPMA simulations. We also discuss the effectiveness of using multi-core computers along with a simple practical strategy implemented in PENEPMA.

Performance issues for domain-oriented time-driven distributed simulations

NASA Technical Reports Server (NTRS)

Nicol, David M.

1987-01-01

It has long been recognized that simulations form an interesting and important class of computations that may benefit from distributed or parallel processing. Since the point of parallel processing is improved performance, the recent proliferation of multiprocessors requires that we consider the performance issues that naturally arise when attempting to implement a distributed simulation. Three such issues are: (1) the problem of mapping the simulation onto the architecture, (2) the possibilities for performing redundant computation in order to reduce communication, and (3) the avoidance of deadlock due to distributed contention for message-buffer space. These issues are discussed in the context of a battlefield simulation implemented on a medium-scale multiprocessor message-passing architecture.

Computer simulation of liquid metals

NASA Astrophysics Data System (ADS)

Belashchenko, D. K.

2013-12-01

Methods for and the results of the computer simulation of liquid metals are reviewed. Two basic methods, classical molecular dynamics with known interparticle potentials and the ab initio method, are considered. Most attention is given to the simulated results obtained using the embedded atom model (EAM). The thermodynamic, structural, and diffusion properties of liquid metal models under normal and extreme (shock) pressure conditions are considered. Liquid-metal simulated results for the Groups I - IV elements, a number of transition metals, and some binary systems (Fe - C, Fe - S) are examined. Possibilities for the simulation to account for the thermal contribution of delocalized electrons to energy and pressure are considered. Solidification features of supercooled metals are also discussed.

Simulator for multilevel optimization research

NASA Technical Reports Server (NTRS)

Padula, S. L.; Young, K. C.

1986-01-01

A computer program designed to simulate and improve multilevel optimization techniques is described. By using simple analytic functions to represent complex engineering analyses, the simulator can generate and test a large variety of multilevel decomposition strategies in a relatively short time. This type of research is an essential step toward routine optimization of large aerospace systems. The paper discusses the types of optimization problems handled by the simulator and gives input and output listings and plots for a sample problem. It also describes multilevel implementation techniques which have value beyond the present computer program. Thus, this document serves as a user's manual for the simulator and as a guide for building future multilevel optimization applications.

Promoting Systems Thinking through Biology Lessons

NASA Astrophysics Data System (ADS)

Riess, Werner; Mischo, Christoph

2010-04-01

This study's goal was to analyze various teaching approaches within the context of natural science lessons, especially in biology. The main focus of the paper lies on the effectiveness of different teaching methods in promoting systems thinking in the field of Education for Sustainable Development. The following methods were incorporated into the study: special lessons designed to promote systems thinking, a computer-simulated scenario on the topic "ecosystem forest," and a combination of both special lessons and the computer simulation. These groups were then compared to a control group. A questionnaire was used to assess systems thinking skills of 424 sixth-grade students of secondary schools in Germany. The assessment differentiated between a conceptual understanding (measured as achievement score) and a reflexive justification (measured as justification score) of systems thinking. The following control variables were used: logical thinking, grades in school, memory span, and motivational goal orientation. Based on the pretest-posttest control group design, only those students who received both special instruction and worked with the computer simulation showed a significant increase in their achievement scores. The justification score increased in the computer simulation condition as well as in the combination of computer simulation and lesson condition. The possibilities and limits of promoting various forms of systems thinking by using realistic computer simulations are discussed.

A modern space simulation facility to accommodate high production acceptance testing

NASA Technical Reports Server (NTRS)

Glover, J. D.

1986-01-01

A space simulation laboratory that supports acceptance testing of spacecraft and associated subsystems at throughput rates as high as nine per year is discussed. The laboratory includes a computer operated 27' by 30' space simulation, a 20' by 20' by 20' thermal cycle chamber and an eight station thermal cycle/thermal vacuum test system. The design philosophy and unique features of each system are discussed. The development of operating procedures, test team requirements, test team integration, and other peripheral activation details are described. A discussion of special accommodations for the efficient utilization of the systems in support of high rate production is presented.

A satellite-based radar wind sensor

NASA Technical Reports Server (NTRS)

Xin, Weizhuang

1991-01-01

The objective is to investigate the application of Doppler radar systems for global wind measurement. A model of the satellite-based radar wind sounder (RAWS) is discussed, and many critical problems in the designing process, such as the antenna scan pattern, tracking the Doppler shift caused by satellite motion, and backscattering of radar signals from different types of clouds, are discussed along with their computer simulations. In addition, algorithms for measuring mean frequency of radar echoes, such as the Fast Fourier Transform (FFT) estimator, the covariance estimator, and the estimators based on autoregressive models, are discussed. Monte Carlo computer simulations were used to compare the performance of these algorithms. Anti-alias methods are discussed for the FFT and the autoregressive methods. Several algorithms for reducing radar ambiguity were studied, such as random phase coding methods and staggered pulse repitition frequncy (PRF) methods. Computer simulations showed that these methods are not applicable to the RAWS because of the broad spectral widths of the radar echoes from clouds. A waveform modulation method using the concept of spread spectrum and correlation detection was developed to solve the radar ambiguity. Radar ambiguity functions were used to analyze the effective signal-to-noise ratios for the waveform modulation method. The results showed that, with suitable bandwidth product and modulation of the waveform, this method can achieve the desired maximum range and maximum frequency of the radar system.

The effectiveness of interactive computer simulations on college engineering student conceptual understanding and problem-solving ability related to circular motion

NASA Astrophysics Data System (ADS)

Chien, Cheng-Chih

In the past thirty years, the effectiveness of computer assisted learning was found varied by individual studies. Today, with drastic technical improvement, computers have been widely spread in schools and used in a variety of ways. In this study, a design model involving educational technology, pedagogy, and content domain is proposed for effective use of computers in learning. Computer simulation, constructivist and Vygotskian perspectives, and circular motion are the three elements of the specific Chain Model for instructional design. The goal of the physics course is to help students remove the ideas which are not consistent with the physics community and rebuild new knowledge. To achieve the learning goal, the strategies of using conceptual conflicts and using language to internalize specific tasks into mental functions were included. Computer simulations and accompanying worksheets were used to help students explore their own ideas and to generate questions for discussions. Using animated images to describe the dynamic processes involved in the circular motion may reduce the complexity and possible miscommunications resulting from verbal explanations. The effectiveness of the instructional material on student learning is evaluated. The results of problem solving activities show that students using computer simulations had significantly higher scores than students not using computer simulations. For conceptual understanding, on the pretest students in the non-simulation group had significantly higher score than students in the simulation group. There was no significant difference observed between the two groups in the posttest. The relations of gender, prior physics experience, and frequency of computer uses outside the course to student achievement were also studied. There were fewer female students than male students and fewer students using computer simulations than students not using computer simulations. These characteristics affect the statistical power for detecting differences. For the future research, more intervention of simulations may be introduced to explore the potential of computer simulation in helping students learning. A test for conceptual understanding with more problems and appropriate difficulty level may be needed.

Modeling of electron-specimen interaction in scanning electron microscope for e-beam metrology and inspection: challenges and perspectives

NASA Astrophysics Data System (ADS)

Suzuki, Makoto; Kameda, Toshimasa; Doi, Ayumi; Borisov, Sergey; Babin, Sergey

2018-03-01

The interpretation of scanning electron microscopy (SEM) images of the latest semiconductor devices is not intuitive and requires comparison with computed images based on theoretical modeling and simulations. For quantitative image prediction and geometrical reconstruction of the specimen structure, the accuracy of the physical model is essential. In this paper, we review the current models of electron-solid interaction and discuss their accuracy. We perform the comparison of the simulated results with our experiments of SEM overlay of under-layer, grain imaging of copper interconnect, and hole bottom visualization by angular selective detectors, and show that our model well reproduces the experimental results. Remaining issues for quantitative simulation are also discussed, including the accuracy of the charge dynamics, treatment of beam skirt, and explosive increase in computing time.

Rubidium frequency standard test program for NAVSTAR GPS

NASA Technical Reports Server (NTRS)

Koide, F.; Dederich, D. J.

1978-01-01

Test data of the RFS Program in the Production phase and computer automation are presented, as an essential element in the evaluation of the RFS performance in a simulated spacecraft environment. Typical production test data will be discussed for stabilities from 1 to 100,000 seconds averaging time and simulated time error accumulation test. Also, design considerations in developing the RFS test systems for the acceptance test in production are discussed.

Computational Flow Modeling of Human Upper Airway Breathing

NASA Astrophysics Data System (ADS)

Mylavarapu, Goutham

Computational modeling of biological systems have gained a lot of interest in biomedical research, in the recent past. This thesis focuses on the application of computational simulations to study airflow dynamics in human upper respiratory tract. With advancements in medical imaging, patient specific geometries of anatomically accurate respiratory tracts can now be reconstructed from Magnetic Resonance Images (MRI) or Computed Tomography (CT) scans, with better and accurate details than traditional cadaver cast models. Computational studies using these individualized geometrical models have advantages of non-invasiveness, ease, minimum patient interaction, improved accuracy over experimental and clinical studies. Numerical simulations can provide detailed flow fields including velocities, flow rates, airway wall pressure, shear stresses, turbulence in an airway. Interpretation of these physical quantities will enable to develop efficient treatment procedures, medical devices, targeted drug delivery etc. The hypothesis for this research is that computational modeling can predict the outcomes of a surgical intervention or a treatment plan prior to its application and will guide the physician in providing better treatment to the patients. In the current work, three different computational approaches Computational Fluid Dynamics (CFD), Flow-Structure Interaction (FSI) and Particle Flow simulations were used to investigate flow in airway geometries. CFD approach assumes airway wall as rigid, and relatively easy to simulate, compared to the more challenging FSI approach, where interactions of airway wall deformations with flow are also accounted. The CFD methodology using different turbulence models is validated against experimental measurements in an airway phantom. Two case-studies using CFD, to quantify a pre and post-operative airway and another, to perform virtual surgery to determine the best possible surgery in a constricted airway is demonstrated. The unsteady Large Eddy simulations (LES) and a steady Reynolds Averaged Navier Stokes (RANS) approaches in CFD modeling are discussed. The more challenging FSI approach is modeled first in simple two-dimensional anatomical geometry and then extended to simplified three dimensional geometry and finally in three dimensionally accurate geometries. The concepts of virtual surgery and the differences to CFD are discussed. Finally, the influence of various drug delivery parameters on particle deposition efficiency in airway anatomy are investigated through particle-flow simulations in a nasal airway model.

The Real-World Connection.

ERIC Educational Resources Information Center

Estes, Charles R.

1994-01-01

Discusses theoretical versus applied science and the use of the scientific method for analysis of social issues. Topics addressed include the use of simulation and modeling; the growth in computer power, including nanotechnology; distributed computing; self-evolving programs; spiritual matters; human engineering, i.e., molding individuals;…

Using Computer Simulations to Integrate Learning.

ERIC Educational Resources Information Center

Liao, Thomas T.

1983-01-01

Describes the primary design criteria and the classroom activities involved in "The Yellow Light Problem," a minicourse on decision making in the secondary school Mathematics, Engineering and Science Achievement (MESA) program in California. Activities include lectures, discussions, science and math labs, computer labs, and development…

The Historian as Computer Programmer.

ERIC Educational Resources Information Center

Campion, Martin C.

1988-01-01

Discusses two type of computer programs--grade book programs and classroom simulations--and how they are used by teachers. Using instructor-developed programs as examples, Campion describes his experiences as a programer and encourages his fellow historians to investigate the possibility of programing for themselves. (GEA)

Systems analysis of the space shuttle. [communication systems, computer systems, and power distribution

NASA Technical Reports Server (NTRS)

Schilling, D. L.; Oh, S. J.; Thau, F.

1975-01-01

Developments in communications systems, computer systems, and power distribution systems for the space shuttle are described. The use of high speed delta modulation for bit rate compression in the transmission of television signals is discussed. Simultaneous Multiprocessor Organization, an approach to computer organization, is presented. Methods of computer simulation and automatic malfunction detection for the shuttle power distribution system are also described.

Simulation of charge exchange plasma propagation near an ion thruster propelled spacecraft

NASA Technical Reports Server (NTRS)

Robinson, R. S.; Kaufman, H. R.; Winder, D. R.

1981-01-01

A model describing the charge exchange plasma and its propagation is discussed, along with a computer code based on the model. The geometry of an idealized spacecraft having an ion thruster is outlined, with attention given to the assumptions used in modeling the ion beam. Also presented is the distribution function describing charge exchange production. The barometric equation is used in relating the variation in plasma potential to the variation in plasma density. The numerical methods and approximations employed in the calculations are discussed, and comparisons are made between the computer simulation and experimental data. An analytical solution of a simple configuration is also used in verifying the model.

Elucidating reaction mechanisms on quantum computers.

PubMed

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M; Wecker, Dave; Troyer, Matthias

2017-07-18

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

Elucidating reaction mechanisms on quantum computers

PubMed Central

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M.; Wecker, Dave; Troyer, Matthias

2017-01-01

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources. PMID:28674011

Elucidating reaction mechanisms on quantum computers

NASA Astrophysics Data System (ADS)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M.; Wecker, Dave; Troyer, Matthias

2017-07-01

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

Computers in the Foreign Language Classroom: Not Just Another "Fad or Frill."

ERIC Educational Resources Information Center

Cox, Ruth

Designed to assist foreign language teachers to become more computer literate, this paper discusses five major types of educational software currently on the market: (1) drill and practice; (2) tutorials; (3) simulations; (4) computer games; and (5) problem solvers. Possible uses for each type of program are given; in addition, specific programs…

Quantum Accelerators for High-performance Computing Systems

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

Humble, Travis S.; Britt, Keith A.; Mohiyaddin, Fahd A.

We define some of the programming and system-level challenges facing the application of quantum processing to high-performance computing. Alongside barriers to physical integration, prominent differences in the execution of quantum and conventional programs challenges the intersection of these computational models. Following a brief overview of the state of the art, we discuss recent advances in programming and execution models for hybrid quantum-classical computing. We discuss a novel quantum-accelerator framework that uses specialized kernels to offload select workloads while integrating with existing computing infrastructure. We elaborate on the role of the host operating system to manage these unique accelerator resources, themore » prospects for deploying quantum modules, and the requirements placed on the language hierarchy connecting these different system components. We draw on recent advances in the modeling and simulation of quantum computing systems with the development of architectures for hybrid high-performance computing systems and the realization of software stacks for controlling quantum devices. Finally, we present simulation results that describe the expected system-level behavior of high-performance computing systems composed from compute nodes with quantum processing units. We describe performance for these hybrid systems in terms of time-to-solution, accuracy, and energy consumption, and we use simple application examples to estimate the performance advantage of quantum acceleration.« less

Atomistic Simulation of Interfaces in Materials of Solid State Ionics

NASA Astrophysics Data System (ADS)

Ivanov-Schitz, A. K.; Mazo, G. N.

2018-01-01

The possibilities of describing correctly interfaces of different types in solids within a computer experiment using molecular statics simulation, molecular dynamics simulation, and quantum chemical calculations are discussed. Heterophase boundaries of various types, including grain boundaries and solid electrolyte‒solid electrolyte and ionic conductor‒electrode material interfaces, are considered. Specific microstructural features and mechanisms of the ion transport in real heterophase structures (cationic conductor‒metal anode and anionic conductor‒cathode) existing in solid state ionics devices (such as solid-state batteries and fuel cells) are discussed.

A 2.5D Computational Method to Simulate Cylindrical Fluidized Beds

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

Li, Tingwen; Benyahia, Sofiane; Dietiker, Jeff

2015-02-17

In this paper, the limitations of axisymmetric and Cartesian two-dimensional (2D) simulations of cylindrical gas-solid fluidized beds are discussed. A new method has been proposed to carry out pseudo-two-dimensional (2.5D) simulations of a cylindrical fluidized bed by appropriately combining computational domains of Cartesian 2D and axisymmetric simulations. The proposed method was implemented in the open-source code MFIX and applied to the simulation of a lab-scale bubbling fluidized bed with necessary sensitivity study. After a careful grid study to ensure the numerical results are grid independent, detailed comparisons of the flow hydrodynamics were presented against axisymmetric and Cartesian 2D simulations. Furthermore,more » the 2.5D simulation results have been compared to the three-dimensional (3D) simulation for evaluation. This new approach yields better agreement with the 3D simulation results than with axisymmetric and Cartesian 2D simulations.« less

Intelligent Tutoring Systems.

ERIC Educational Resources Information Center

Ross, Peter

1987-01-01

Discusses intelligent tutoring systems (ITS), one application of artificial intelligence to computers used in education. Basic designs of ITSs are described; examples are given including PROUST, GREATERP, and the use of simulation with ITSs; protocol analysis is discussed; and 38 prototype ITSs are listed. (LRW)

What Fermenter?

ERIC Educational Resources Information Center

Terry, John

1987-01-01

Discusses the feasibility of using fermenters in secondary school laboratories. Includes discussions of equipment, safety, and computer interfacing. Describes how a simple fermenter could be used to simulate large-scale processes. Concludes that, although teachers and technicians will require additional training, the prospects for biotechnology in…

Application of control theory to dynamic systems simulation

NASA Technical Reports Server (NTRS)

Auslander, D. M.; Spear, R. C.; Young, G. E.

1982-01-01

The application of control theory is applied to dynamic systems simulation. Theory and methodology applicable to controlled ecological life support systems are considered. Spatial effects on system stability, design of control systems with uncertain parameters, and an interactive computing language (PARASOL-II) designed for dynamic system simulation, report quality graphics, data acquisition, and simple real time control are discussed.

A Geostationary Earth Orbit Satellite Model Using Easy Java Simulation

ERIC Educational Resources Information Center

Wee, Loo Kang; Goh, Giam Hwee

2013-01-01

We develop an Easy Java Simulation (EJS) model for students to visualize geostationary orbits near Earth, modelled using a Java 3D implementation of the EJS 3D library. The simplified physics model is described and simulated using a simple constant angular velocity equation. We discuss four computer model design ideas: (1) a simple and realistic…

Computer program analyzes and monitors electrical power systems (POSIMO)

NASA Technical Reports Server (NTRS)

Jaeger, K.

1972-01-01

Requirements to monitor and/or simulate electric power distribution, power balance, and charge budget are discussed. Computer program to analyze power system and generate set of characteristic power system data is described. Application to status indicators to denote different exclusive conditions is presented.

Numerical simulation of dynamics of brushless dc motors for aerospace and other applications. Volume 2: User's guide to computer EMA model

NASA Technical Reports Server (NTRS)

Demerdash, N. A. O.; Nehl, T. W.

1979-01-01

A description and user's guide of the computer program developed to simulate the dynamics of an electromechanical actuator for aerospace applications are presented. The effects of the stator phase currents on the permanent magnets of the rotor are examined. The voltage and current waveforms present in the power conditioner network during the motoring, regenerative braking, and plugging modes of operation are presented and discussed.

The role of water molecules in computational drug design.

PubMed

de Beer, Stephanie B A; Vermeulen, Nico P E; Oostenbrink, Chris

2010-01-01

Although water molecules are small and only consist of two different atom types, they play various roles in cellular systems. This review discusses their influence on the binding process between biomacromolecular targets and small molecule ligands and how this influence can be modeled in computational drug design approaches. Both the structure and the thermodynamics of active site waters will be discussed as these influence the binding process significantly. Structurally conserved waters cannot always be determined experimentally and if observed, it is not clear if they will be replaced upon ligand binding, even if sufficient space is available. Methods to predict the presence of water in protein-ligand complexes will be reviewed. Subsequently, we will discuss methods to include water in computational drug research. Either as an additional factor in automated docking experiments, or explicitly in detailed molecular dynamics simulations, the effect of water on the quality of the simulations is significant, but not easily predicted. The most detailed calculations involve estimates of the free energy contribution of water molecules to protein-ligand complexes. These calculations are computationally demanding, but give insight in the versatility and importance of water in ligand binding.

Simulation of Coast Guard Vessel Traffic Service Operations by Model and Experiment

DOT National Transportation Integrated Search

1980-09-01

A technique for computer simulation of operations of U.S. Coast Guard Vessel Traffic Services is described and verified with data obtained in four field studies. Uses of the Technique are discussed and illustrated. A field experiment is described in ...

One of My Favorite Assignments: Automated Teller Machine Simulation.

ERIC Educational Resources Information Center

Oberman, Paul S.

2001-01-01

Describes an assignment for an introductory computer science class that requires the student to write a software program that simulates an automated teller machine. Highlights include an algorithm for the assignment; sample file contents; language features used; assignment variations; and discussion points. (LRW)

The ensemble switch method for computing interfacial tensions

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

Schmitz, Fabian; Virnau, Peter

2015-04-14

We present a systematic thermodynamic integration approach to compute interfacial tensions for solid-liquid interfaces, which is based on the ensemble switch method. Applying Monte Carlo simulations and finite-size scaling techniques, we obtain results for hard spheres, which are in agreement with previous computations. The case of solid-liquid interfaces in a variant of the effective Asakura-Oosawa model and of liquid-vapor interfaces in the Lennard-Jones model are discussed as well. We demonstrate that a thorough finite-size analysis of the simulation data is required to obtain precise results for the interfacial tension.

Realization of planning design of mechanical manufacturing system by Petri net simulation model

NASA Astrophysics Data System (ADS)

Wu, Yanfang; Wan, Xin; Shi, Weixiang

1991-09-01

Planning design is to work out a more overall long-term plan. In order to guarantee a mechanical manufacturing system (MMS) designed to obtain maximum economical benefit, it is necessary to carry out a reasonable planning design for the system. First, some principles on planning design for MMS are introduced. Problems of production scheduling and their decision rules for computer simulation are presented. Realizable method of each production scheduling decision rule in Petri net model is discussed. Second, the solution of conflict rules for conflict problems during running Petri net is given. Third, based on the Petri net model of MMS which includes part flow and tool flow, according to the principle of minimum event time advance, a computer dynamic simulation of the Petri net model, that is, a computer dynamic simulation of MMS, is realized. Finally, the simulation program is applied to a simulation exmple, so the scheme of a planning design for MMS can be evaluated effectively.

Description of a computer program and numerical techniques for developing linear perturbation models from nonlinear systems simulations

NASA Technical Reports Server (NTRS)

Dieudonne, J. E.

1978-01-01

A numerical technique was developed which generates linear perturbation models from nonlinear aircraft vehicle simulations. The technique is very general and can be applied to simulations of any system that is described by nonlinear differential equations. The computer program used to generate these models is discussed, with emphasis placed on generation of the Jacobian matrices, calculation of the coefficients needed for solving the perturbation model, and generation of the solution of the linear differential equations. An example application of the technique to a nonlinear model of the NASA terminal configured vehicle is included.

Debugging embedded computer programs. [tactical missile computers

NASA Technical Reports Server (NTRS)

Kemp, G. H.

1980-01-01

Every embedded computer program must complete its debugging cycle using some system that will allow real time debugging. Many of the common items addressed during debugging are listed. Seven approaches to debugging are analyzed to evaluate how well they treat those items. Cost evaluations are also included in the comparison. The results indicate that the best collection of capabilities to cover the common items present in the debugging task occurs in the approach where a minicomputer handles the environment simulation with an emulation of some kind representing the embedded computer. This approach can be taken at a reasonable cost. The case study chosen is an embedded computer in a tactical missile. Several choices of computer for the environment simulation are discussed as well as different approaches to the embedded emulator.

Simulation and analysis of a geopotential research mission

NASA Technical Reports Server (NTRS)

Schutz, B. E.

1987-01-01

Computer simulations were performed for a Geopotential Research Mission (GRM) to enable the study of the gravitational sensitivity of the range rate measurements between the two satellites and to provide a set of simulated measurements to assist in the evaluation of techniques developed for the determination of the gravity field. The simulations were conducted with two satellites in near circular, frozen orbits at 160 km altitudes separated by 300 km. High precision numerical integration of the polar orbits were used with a gravitational field complete to degree and order 360. The set of simulated data for a mission duration of about 32 days was generated on a Cray X-MP computer. The results presented cover the most recent simulation, S8703, and includes a summary of the numerical integration of the simulated trajectories, a summary of the requirements to compute nominal reference trajectories to meet the initial orbit determination requirements for the recovery of the geopotential, an analysis of the nature of the one way integrated Doppler measurements associated with the simulation, and a discussion of the data set to be made available.

WE-D-303-00: Computational Phantoms

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

Lewis, John; Brigham and Women’s Hospital and Dana-Farber Cancer Institute, Boston, MA

2015-06-15

Modern medical physics deals with complex problems such as 4D radiation therapy and imaging quality optimization. Such problems involve a large number of radiological parameters, and anatomical and physiological breathing patterns. A major challenge is how to develop, test, evaluate and compare various new imaging and treatment techniques, which often involves testing over a large range of radiological parameters as well as varying patient anatomies and motions. It would be extremely challenging, if not impossible, both ethically and practically, to test every combination of parameters and every task on every type of patient under clinical conditions. Computer-based simulation using computationalmore » phantoms offers a practical technique with which to evaluate, optimize, and compare imaging technologies and methods. Within simulation, the computerized phantom provides a virtual model of the patient’s anatomy and physiology. Imaging data can be generated from it as if it was a live patient using accurate models of the physics of the imaging and treatment process. With sophisticated simulation algorithms, it is possible to perform virtual experiments entirely on the computer. By serving as virtual patients, computational phantoms hold great promise in solving some of the most complex problems in modern medical physics. In this proposed symposium, we will present the history and recent developments of computational phantom models, share experiences in their application to advanced imaging and radiation applications, and discuss their promises and limitations. Learning Objectives: Understand the need and requirements of computational phantoms in medical physics research Discuss the developments and applications of computational phantoms Know the promises and limitations of computational phantoms in solving complex problems.« less

Using Computer Simulations for Promoting Model-based Reasoning. Epistemological and Educational Dimensions

NASA Astrophysics Data System (ADS)

Develaki, Maria

2017-11-01

Scientific reasoning is particularly pertinent to science education since it is closely related to the content and methodologies of science and contributes to scientific literacy. Much of the research in science education investigates the appropriate framework and teaching methods and tools needed to promote students' ability to reason and evaluate in a scientific way. This paper aims (a) to contribute to an extended understanding of the nature and pedagogical importance of model-based reasoning and (b) to exemplify how using computer simulations can support students' model-based reasoning. We provide first a background for both scientific reasoning and computer simulations, based on the relevant philosophical views and the related educational discussion. This background suggests that the model-based framework provides an epistemologically valid and pedagogically appropriate basis for teaching scientific reasoning and for helping students develop sounder reasoning and decision-taking abilities and explains how using computer simulations can foster these abilities. We then provide some examples illustrating the use of computer simulations to support model-based reasoning and evaluation activities in the classroom. The examples reflect the procedure and criteria for evaluating models in science and demonstrate the educational advantages of their application in classroom reasoning activities.

Computers Simulate Human Experts.

ERIC Educational Resources Information Center

Roberts, Steven K.

1983-01-01

Discusses recent progress in artificial intelligence in such narrowly defined areas as medical and electronic diagnosis. Also discusses use of expert systems, man-machine communication problems, novel programing environments (including comments on LISP and LISP machines), and types of knowledge used (factual, heuristic, and meta-knowledge). (JN)

High accuracy mantle convection simulation through modern numerical methods - II: realistic models and problems

NASA Astrophysics Data System (ADS)

Heister, Timo; Dannberg, Juliane; Gassmöller, Rene; Bangerth, Wolfgang

2017-08-01

Computations have helped elucidate the dynamics of Earth's mantle for several decades already. The numerical methods that underlie these simulations have greatly evolved within this time span, and today include dynamically changing and adaptively refined meshes, sophisticated and efficient solvers, and parallelization to large clusters of computers. At the same time, many of the methods - discussed in detail in a previous paper in this series - were developed and tested primarily using model problems that lack many of the complexities that are common to the realistic models our community wants to solve today. With several years of experience solving complex and realistic models, we here revisit some of the algorithm designs of the earlier paper and discuss the incorporation of more complex physics. In particular, we re-consider time stepping and mesh refinement algorithms, evaluate approaches to incorporate compressibility, and discuss dealing with strongly varying material coefficients, latent heat, and how to track chemical compositions and heterogeneities. Taken together and implemented in a high-performance, massively parallel code, the techniques discussed in this paper then allow for high resolution, 3-D, compressible, global mantle convection simulations with phase transitions, strongly temperature dependent viscosity and realistic material properties based on mineral physics data.

Equation-free multiscale computation: algorithms and applications.

PubMed

Kevrekidis, Ioannis G; Samaey, Giovanni

2009-01-01

In traditional physicochemical modeling, one derives evolution equations at the (macroscopic, coarse) scale of interest; these are used to perform a variety of tasks (simulation, bifurcation analysis, optimization) using an arsenal of analytical and numerical techniques. For many complex systems, however, although one observes evolution at a macroscopic scale of interest, accurate models are only given at a more detailed (fine-scale, microscopic) level of description (e.g., lattice Boltzmann, kinetic Monte Carlo, molecular dynamics). Here, we review a framework for computer-aided multiscale analysis, which enables macroscopic computational tasks (over extended spatiotemporal scales) using only appropriately initialized microscopic simulation on short time and length scales. The methodology bypasses the derivation of macroscopic evolution equations when these equations conceptually exist but are not available in closed form-hence the term equation-free. We selectively discuss basic algorithms and underlying principles and illustrate the approach through representative applications. We also discuss potential difficulties and outline areas for future research.

Preconditioning for Numerical Simulation of Low Mach Number Three-Dimensional Viscous Turbomachinery Flows

NASA Technical Reports Server (NTRS)

Tweedt, Daniel L.; Chima, Rodrick V.; Turkel, Eli

1997-01-01

A preconditioning scheme has been implemented into a three-dimensional viscous computational fluid dynamics code for turbomachine blade rows. The preconditioning allows the code, originally developed for simulating compressible flow fields, to be applied to nearly-incompressible, low Mach number flows. A brief description is given of the compressible Navier-Stokes equations for a rotating coordinate system, along with the preconditioning method employed. Details about the conservative formulation of artificial dissipation are provided, and different artificial dissipation schemes are discussed and compared. The preconditioned code was applied to a well-documented case involving the NASA large low-speed centrifugal compressor for which detailed experimental data are available for comparison. Performance and flow field data are compared for the near-design operating point of the compressor, with generally good agreement between computation and experiment. Further, significant differences between computational results for the different numerical implementations, revealing different levels of solution accuracy, are discussed.

Flexible rotor dynamics analysis

NASA Technical Reports Server (NTRS)

Shen, F. A.

1973-01-01

A digital computer program was developed to analyze the general nonaxisymmetric and nonsynchronous transient and steady-state rotor dynamic performance of a bending- and shear-wise flexible rotor-bearing system under various operating conditions. The effects of rotor material mechanical hysteresis, rotor torsion flexibility, transverse effects of rotor axial and torsional loading and the anisotropic, in-phase and out-of-phase bearing stiffness and damping force and moment coefficients were included in the program to broaden its capability. An optimum solution method was found and incorporated in the computer program. Computer simulation of experimental data was made and qualitative agreements observed. The mathematical formulations, computer program verification, test data simulation, and user instruction was presented and discussed.

MoCog1: A computer simulation of recognition-primed human decision making

NASA Technical Reports Server (NTRS)

Gevarter, William B.

1991-01-01

The results of the first stage of a research effort to develop a 'sophisticated' computer model of human cognitive behavior are described. Most human decision making is an experience-based, relatively straight-forward, largely automatic response to internal goals and drives, utilizing cues and opportunities perceived from the current environment. The development of the architecture and computer program (MoCog1) associated with such 'recognition-primed' decision making is discussed. The resultant computer program was successfully utilized as a vehicle to simulate earlier findings that relate how an individual's implicit theories orient the individual toward particular goals, with resultant cognitions, affects, and behavior in response to their environment.

Physics Notes.

ERIC Educational Resources Information Center

School Science Review, 1983

1983-01-01

Discusses the Rugby clock as a source of project material, use of ZX81 for experimental science, computer dice analog, oil recovery from reservoirs, and computer simulation of Thompson's experiment for determining e/m for an electron. Activities/procedures are provided when applicable. Also presents questions (and answers) related to time-coded…

A Computer-aided Learning Exercise in Spectrophotometry.

ERIC Educational Resources Information Center

Pamula, Frederick

1994-01-01

Discusses the use of a computer simulation program in teaching the concepts of spectrophotometry. Introduces several parts of the program and program usage. Presents an assessment activity to evaluate students' mastery of material. Concludes with the advantages of this approach to the student and to the assessor. (ASK)

Workflow Management Systems for Molecular Dynamics on Leadership Computers

NASA Astrophysics Data System (ADS)

Wells, Jack; Panitkin, Sergey; Oleynik, Danila; Jha, Shantenu

Molecular Dynamics (MD) simulations play an important role in a range of disciplines from Material Science to Biophysical systems and account for a large fraction of cycles consumed on computing resources. Increasingly science problems require the successful execution of ''many'' MD simulations as opposed to a single MD simulation. There is a need to provide scalable and flexible approaches to the execution of the workload. We present preliminary results on the Titan computer at the Oak Ridge Leadership Computing Facility that demonstrate a general capability to manage workload execution agnostic of a specific MD simulation kernel or execution pattern, and in a manner that integrates disparate grid-based and supercomputing resources. Our results build upon our extensive experience of distributed workload management in the high-energy physics ATLAS project using PanDA (Production and Distributed Analysis System), coupled with recent conceptual advances in our understanding of workload management on heterogeneous resources. We will discuss how we will generalize these initial capabilities towards a more production level service on DOE leadership resources. This research is sponsored by US DOE/ASCR and used resources of the OLCF computing facility.

A Monte Carlo study of Weibull reliability analysis for space shuttle main engine components

NASA Technical Reports Server (NTRS)

Abernethy, K.

1986-01-01

The incorporation of a number of additional capabilities into an existing Weibull analysis computer program and the results of Monte Carlo computer simulation study to evaluate the usefulness of the Weibull methods using samples with a very small number of failures and extensive censoring are discussed. Since the censoring mechanism inherent in the Space Shuttle Main Engine (SSME) data is hard to analyze, it was decided to use a random censoring model, generating censoring times from a uniform probability distribution. Some of the statistical techniques and computer programs that are used in the SSME Weibull analysis are described. The methods documented in were supplemented by adding computer calculations of approximate (using iteractive methods) confidence intervals for several parameters of interest. These calculations are based on a likelihood ratio statistic which is asymptotically a chisquared statistic with one degree of freedom. The assumptions built into the computer simulations are described. The simulation program and the techniques used in it are described there also. Simulation results are tabulated for various combinations of Weibull shape parameters and the numbers of failures in the samples.

A method for the computational modeling of the physics of heart murmurs

NASA Astrophysics Data System (ADS)

Seo, Jung Hee; Bakhshaee, Hani; Garreau, Guillaume; Zhu, Chi; Andreou, Andreas; Thompson, William R.; Mittal, Rajat

2017-05-01

A computational method for direct simulation of the generation and propagation of blood flow induced sounds is proposed. This computational hemoacoustic method is based on the immersed boundary approach and employs high-order finite difference methods to resolve wave propagation and scattering accurately. The current method employs a two-step, one-way coupled approach for the sound generation and its propagation through the tissue. The blood flow is simulated by solving the incompressible Navier-Stokes equations using the sharp-interface immersed boundary method, and the equations corresponding to the generation and propagation of the three-dimensional elastic wave corresponding to the murmur are resolved with a high-order, immersed boundary based, finite-difference methods in the time-domain. The proposed method is applied to a model problem of aortic stenosis murmur and the simulation results are verified and validated by comparing with known solutions as well as experimental measurements. The murmur propagation in a realistic model of a human thorax is also simulated by using the computational method. The roles of hemodynamics and elastic wave propagation on the murmur are discussed based on the simulation results.

Protein free energy landscapes from long equilibrium simulations

NASA Astrophysics Data System (ADS)

Piana-Agostinetti, Stefano

Many computational techniques based on molecular dynamics (MD) simulation can be used to generate data to aid in the construction of protein free energy landscapes with atomistic detail. Unbiased, long, equilibrium MD simulations--although computationally very expensive--are particularly appealing, as they can provide direct kinetic and thermodynamic information on the transitions between the states that populate a protein free energy surface. It can be challenging to know how to analyze and interpret even results generated by this direct technique, however. I will discuss approaches we have employed, using equilibrium MD simulation data, to obtain descriptions of the free energy landscapes of proteins ranging in size from tens to thousands of amino acids.

A Comparative Study of High and Low Fidelity Fan Models for Turbofan Engine System Simulation

NASA Technical Reports Server (NTRS)

Reed, John A.; Afjeh, Abdollah A.

1991-01-01

In this paper, a heterogeneous propulsion system simulation method is presented. The method is based on the formulation of a cycle model of a gas turbine engine. The model includes the nonlinear characteristics of the engine components via use of empirical data. The potential to simulate the entire engine operation on a computer without the aid of data is demonstrated by numerically generating "performance maps" for a fan component using two flow models of varying fidelity. The suitability of the fan models were evaluated by comparing the computed performance with experimental data. A discussion of the potential benefits and/or difficulties in connecting simulations solutions of differing fidelity is given.

Fields of Fuel

ERIC Educational Resources Information Center

Russ, Rosemary S.; Wangen, Steve; Nye, D. Leith; Shapiro, R. Benjamin; Strinz, Will; Ferris, Michael

2015-01-01

To help teachers engage students in discussions about sustainability, the authors designed Fields of Fuel, a multiplayer, web-based simulation game that allows players to explore the environmental and economic trade-offs of a realistic sustainable system. Computer-based simulations of real-world phenomena engage students and have been shown to…

The Next Best Thing to Flying.

ERIC Educational Resources Information Center

Sorensen, Peter

1983-01-01

Discusses flight simulator use in pilot training. With computer graphics, sound effects, and hydraulic thrust, pilots can learn to fly without leaving the ground. Indicates that air safety has significantly improved since the Federal Aviation Administration approved using simulators, replacing a large portion of training received in actual…

Potential applications of computational fluid dynamics to biofluid analysis

NASA Technical Reports Server (NTRS)

Kwak, D.; Chang, J. L. C.; Rogers, S. E.; Rosenfeld, M.; Kwak, D.

1988-01-01

Computational fluid dynamics was developed to the stage where it has become an indispensable part of aerospace research and design. In view of advances made in aerospace applications, the computational approach can be used for biofluid mechanics research. Several flow simulation methods developed for aerospace problems are briefly discussed for potential applications to biofluids, especially to blood flow analysis.

Application of Soft Computing in Coherent Communications Phase Synchronization

NASA Technical Reports Server (NTRS)

Drake, Jeffrey T.; Prasad, Nadipuram R.

2000-01-01

The use of soft computing techniques in coherent communications phase synchronization provides an alternative to analytical or hard computing methods. This paper discusses a novel use of Adaptive Neuro-Fuzzy Inference Systems (ANFIS) for phase synchronization in coherent communications systems utilizing Multiple Phase Shift Keying (MPSK) modulation. A brief overview of the M-PSK digital communications bandpass modulation technique is presented and it's requisite need for phase synchronization is discussed. We briefly describe the hybrid platform developed by Jang that incorporates fuzzy/neural structures namely the, Adaptive Neuro-Fuzzy Interference Systems (ANFIS). We then discuss application of ANFIS to phase estimation for M-PSK. The modeling of both explicit, and implicit phase estimation schemes for M-PSK symbols with unknown structure are discussed. Performance results from simulation of the above scheme is presented.

SAGRAD: A Program for Neural Network Training with Simulated Annealing and the Conjugate Gradient Method

PubMed Central

Bernal, Javier; Torres-Jimenez, Jose

2015-01-01

SAGRAD (Simulated Annealing GRADient), a Fortran 77 program for computing neural networks for classification using batch learning, is discussed. Neural network training in SAGRAD is based on a combination of simulated annealing and Møller’s scaled conjugate gradient algorithm, the latter a variation of the traditional conjugate gradient method, better suited for the nonquadratic nature of neural networks. Different aspects of the implementation of the training process in SAGRAD are discussed, such as the efficient computation of gradients and multiplication of vectors by Hessian matrices that are required by Møller’s algorithm; the (re)initialization of weights with simulated annealing required to (re)start Møller’s algorithm the first time and each time thereafter that it shows insufficient progress in reaching a possibly local minimum; and the use of simulated annealing when Møller’s algorithm, after possibly making considerable progress, becomes stuck at a local minimum or flat area of weight space. Outlines of the scaled conjugate gradient algorithm, the simulated annealing procedure and the training process used in SAGRAD are presented together with results from running SAGRAD on two examples of training data. PMID:26958442

Simulating the x-ray image contrast to setup techniques with desired flaw detectability

NASA Astrophysics Data System (ADS)

Koshti, Ajay M.

2015-04-01

The paper provides simulation data of previous work by the author in developing a model for estimating detectability of crack-like flaws in radiography. The methodology is developed to help in implementation of NASA Special x-ray radiography qualification, but is generically applicable to radiography. The paper describes a method for characterizing the detector resolution. Applicability of ASTM E 2737 resolution requirements to the model are also discussed. The paper describes a model for simulating the detector resolution. A computer calculator application, discussed here, also performs predicted contrast and signal-to-noise ratio calculations. Results of various simulation runs in calculating x-ray flaw size parameter and image contrast for varying input parameters such as crack depth, crack width, part thickness, x-ray angle, part-to-detector distance, part-to-source distance, source sizes, and detector sensitivity and resolution are given as 3D surfaces. These results demonstrate effect of the input parameters on the flaw size parameter and the simulated image contrast of the crack. These simulations demonstrate utility of the flaw size parameter model in setting up x-ray techniques that provide desired flaw detectability in radiography. The method is applicable to film radiography, computed radiography, and digital radiography.

Development of a systems theoretical procedure for evaluation of the work organization of the cockpit crew of a civil transport airplane

NASA Technical Reports Server (NTRS)

Fricke, M.; Vees, C.

1983-01-01

To achieve optimum design for the man machine interface with aircraft, a description of the interaction and work organization of the cockpit crew is needed. The development of system procedure to evaluate the work organization of pilots while structuring the work process is examined. Statistical data are needed to simulate sequences of pilot actions on the computer. Investigations of computer simulation and applicability for evaluation of crew concepts are discussed.

An adaptive maneuvering logic computer program for the simulation of one-to-one air-to-air combat. Volume 2: Program description

NASA Technical Reports Server (NTRS)

Burgin, G. H.; Owens, A. J.

1975-01-01

A detailed description is presented of the computer programs in order to provide an understanding of the mathematical and geometrical relationships as implemented in the programs. The individual sbbroutines and their underlying mathematical relationships are described, and the required input data and the output provided by the program are explained. The relationship of the adaptive maneuvering logic program with the program to drive the differential maneuvering simulator is discussed.

Spacecraft orbit/earth scan derivations, associated APL program, and application to IMP-6

NASA Technical Reports Server (NTRS)

Smith, G. A.

1971-01-01

The derivation of a time shared, remote site, demand processed computer program is discussed. The computer program analyzes the effects of selected orbit, attitude, and spacecraft parameters on earth sensor detections of earth. For prelaunch analysis, the program may be used to simulate effects in nominal parameters which are used in preparing attitude data processing programs. After launch, comparison of results from a simulation and from satellite data will produce deviations helpful in isolating problems.

Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Hinkley, Jeffrey A.

2003-01-01

The paper provides details on the structure and implementation of the Computational Materials program at the NASA Langley Research Center. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the design of nanostructured materials such as high-performance polymers, composites, and nanotube-reinforced polymers. Primary simulation and measurement methods applicable to multi-scale modeling are outlined. Key challenges including verification and validation of models are highlighted and discussed within the context of NASA's broad mission objectives.

Point-Process Models of Social Network Interactions: Parameter Estimation and Missing Data Recovery

DTIC Science & Technology

2014-08-01

treating them as zero will have a de minimis impact on the results, but avoiding computing them (and computing with them) saves tremendous time. Set a... test the methods on simulated time series on artificial social networks, including some toy networks and some meant to resemble IkeNet. We conclude...the section by discussing the results in detail. In each of our tests we begin with a complete data set, whether it is real (IkeNet) or simulated. Then

Parallel Simulation of Three-Dimensional Free Surface Fluid Flow Problems

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

BAER,THOMAS A.; SACKINGER,PHILIP A.; SUBIA,SAMUEL R.

1999-10-14

Simulation of viscous three-dimensional fluid flow typically involves a large number of unknowns. When free surfaces are included, the number of unknowns increases dramatically. Consequently, this class of problem is an obvious application of parallel high performance computing. We describe parallel computation of viscous, incompressible, free surface, Newtonian fluid flow problems that include dynamic contact fines. The Galerkin finite element method was used to discretize the fully-coupled governing conservation equations and a ''pseudo-solid'' mesh mapping approach was used to determine the shape of the free surface. In this approach, the finite element mesh is allowed to deform to satisfy quasi-staticmore » solid mechanics equations subject to geometric or kinematic constraints on the boundaries. As a result, nodal displacements must be included in the set of unknowns. Other issues discussed are the proper constraints appearing along the dynamic contact line in three dimensions. Issues affecting efficient parallel simulations include problem decomposition to equally distribute computational work among a SPMD computer and determination of robust, scalable preconditioners for the distributed matrix systems that must be solved. Solution continuation strategies important for serial simulations have an enhanced relevance in a parallel coquting environment due to the difficulty of solving large scale systems. Parallel computations will be demonstrated on an example taken from the coating flow industry: flow in the vicinity of a slot coater edge. This is a three dimensional free surface problem possessing a contact line that advances at the web speed in one region but transitions to static behavior in another region. As such, a significant fraction of the computational time is devoted to processing boundary data. Discussion focuses on parallel speed ups for fixed problem size, a class of problems of immediate practical importance.« less

Combining high performance simulation, data acquisition, and graphics display computers

NASA Technical Reports Server (NTRS)

Hickman, Robert J.

1989-01-01

Issues involved in the continuing development of an advanced simulation complex are discussed. This approach provides the capability to perform the majority of tests on advanced systems, non-destructively. The controlled test environments can be replicated to examine the response of the systems under test to alternative treatments of the system control design, or test the function and qualification of specific hardware. Field tests verify that the elements simulated in the laboratories are sufficient. The digital computer is hosted by a Digital Equipment Corp. MicroVAX computer with an Aptec Computer Systems Model 24 I/O computer performing the communication function. An Applied Dynamics International AD100 performs the high speed simulation computing and an Evans and Sutherland PS350 performs on-line graphics display. A Scientific Computer Systems SCS40 acts as a high performance FORTRAN program processor to support the complex, by generating numerous large files from programs coded in FORTRAN that are required for the real time processing. Four programming languages are involved in the process, FORTRAN, ADSIM, ADRIO, and STAPLE. FORTRAN is employed on the MicroVAX host to initialize and terminate the simulation runs on the system. The generation of the data files on the SCS40 also is performed with FORTRAN programs. ADSIM and ADIRO are used to program the processing elements of the AD100 and its IOCP processor. STAPLE is used to program the Aptec DIP and DIA processors.

Analytical investigation of critical phenomena in MHD power generators

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

Not Available

1980-07-31

Critical phenomena in the Arnold Engineering Development Center (AEDC) High Performance Demonstration Experiment (HPDE) and the US U-25 Experiment, are analyzed. Also analyzed are the performance of a NASA-specified 500 MW(th) flow train and computations concerning critica issues for the scale-up of MHD Generators. The HPDE is characterized by computational simulations of both the nominal conditions and the conditions during the experimental runs. The steady-state performance is discussed along with the Hall voltage overshoots during the start-up and shutdown transients. The results of simulations of the HPDE runs with codes from the Q3D and TRANSIENT code families are compared tomore » the experimental results. The results of the simulations are in good agreement with the experimental data. Additional critica phenomena analyzed in the AEDC/HPDE are the optimal load schedules, parametric variations, the parametric dependence of the electrode voltage drops, the boundary layer behavior, near electrode phenomena with finite electrode segmentation, and current distribution in the end regions. The US U-25 experiment is characterized by computational simulations of the nominal operating conditions. The steady-state performance for the nominal design of the US U-25 experiment is analyzed, as is the dependence of performance on the mass flow rate. A NASA-specified 500 MW(th) MHD flow train is characterized for computer simulation and the electrical, transport, and thermodynamic properties at the inlet plane are analyzed. Issues for the scale-up of MHD power trains are discussed. The AEDC/HPDE performance is analyzed to compare these experimental results to scale-up rules.« less

Using Computers for Research into Social Relations.

ERIC Educational Resources Information Center

Holden, George W.

1988-01-01

Discusses computer-presented social situations (CPSS), i.e., microcomputer-based simulations developed to provide a new methodological tool for social scientists interested in the study of social relations. Two CPSSs are described: DaySim, used to help identify types of parenting; and DateSim, used to study interpersonal attraction. (21…

Automated design of spacecraft systems power subsystems

NASA Technical Reports Server (NTRS)

Terrile, Richard J.; Kordon, Mark; Mandutianu, Dan; Salcedo, Jose; Wood, Eric; Hashemi, Mona

2006-01-01

This paper discusses the application of evolutionary computing to a dynamic space vehicle power subsystem resource and performance simulation in a parallel processing environment. Our objective is to demonstrate the feasibility, application and advantage of using evolutionary computation techniques for the early design search and optimization of space systems.

A Computer-Aided Exercise for Checking Novices' Understanding of Market Equilibrium Changes.

ERIC Educational Resources Information Center

Katz, Arnold

1999-01-01

Describes a computer-aided supplement to the introductory microeconomics course that enhances students' understanding with simulation-based tools for reviewing what they have learned from lectures and conventional textbooks about comparing market equilibria. Includes a discussion of students' learning progressions and retention after using the…

Computing and data processing

NASA Technical Reports Server (NTRS)

Smarr, Larry; Press, William; Arnett, David W.; Cameron, Alastair G. W.; Crutcher, Richard M.; Helfand, David J.; Horowitz, Paul; Kleinmann, Susan G.; Linsky, Jeffrey L.; Madore, Barry F.

1991-01-01

The applications of computers and data processing to astronomy are discussed. Among the topics covered are the emerging national information infrastructure, workstations and supercomputers, supertelescopes, digital astronomy, astrophysics in a numerical laboratory, community software, archiving of ground-based observations, dynamical simulations of complex systems, plasma astrophysics, and the remote control of fourth dimension supercomputers.

Parallel, Asynchronous Executive (PAX): System concepts, facilities, and architecture

NASA Technical Reports Server (NTRS)

Jones, W. H.

1983-01-01

The Parallel, Asynchronous Executive (PAX) is a software operating system simulation that allows many computers to work on a single problem at the same time. PAX is currently implemented on a UNIVAC 1100/42 computer system. Independent UNIVAC runstreams are used to simulate independent computers. Data are shared among independent UNIVAC runstreams through shared mass-storage files. PAX has achieved the following: (1) applied several computing processes simultaneously to a single, logically unified problem; (2) resolved most parallel processor conflicts by careful work assignment; (3) resolved by means of worker requests to PAX all conflicts not resolved by work assignment; (4) provided fault isolation and recovery mechanisms to meet the problems of an actual parallel, asynchronous processing machine. Additionally, one real-life problem has been constructed for the PAX environment. This is CASPER, a collection of aerodynamic and structural dynamic problem simulation routines. CASPER is not discussed in this report except to provide examples of parallel-processing techniques.

Numerical Zooming Between a NPSS Engine System Simulation and a One-Dimensional High Compressor Analysis Code

NASA Technical Reports Server (NTRS)

Follen, Gregory; auBuchon, M.

2000-01-01

Within NASA's High Performance Computing and Communication (HPCC) program, NASA Glenn Research Center is developing an environment for the analysis/design of aircraft engines called the Numerical Propulsion System Simulation (NPSS). NPSS focuses on the integration of multiple disciplines such as aerodynamics, structures, and heat transfer along with the concept of numerical zooming between zero-dimensional to one-, two-, and three-dimensional component engine codes. In addition, the NPSS is refining the computing and communication technologies necessary to capture complex physical processes in a timely and cost-effective manner. The vision for NPSS is to create a "numerical test cell" enabling full engine simulations overnight on cost-effective computing platforms. Of the different technology areas that contribute to the development of the NPSS Environment, the subject of this paper is a discussion on numerical zooming between a NPSS engine simulation and higher fidelity representations of the engine components (fan, compressor, burner, turbines, etc.). What follows is a description of successfully zooming one-dimensional (row-by-row) high-pressure compressor analysis results back to a zero-dimensional NPSS engine simulation and a discussion of the results illustrated using an advanced data visualization tool. This type of high fidelity system-level analysis, made possible by the zooming capability of the NPSS, will greatly improve the capability of the engine system simulation and increase the level of virtual test conducted prior to committing the design to hardware.

NAS: The first year

NASA Technical Reports Server (NTRS)

Bailey, F. R.; Kutler, Paul

1988-01-01

Discussed are the capabilities of NASA's Numerical Aerodynamic Simulation (NAS) Program and its application as an advanced supercomputing system for computational fluid dynamics (CFD) research. First, the paper describes the NAS computational system, called the NAS Processing System Network, and the advanced computational capabilities it offers as a consequence of carrying out the NAS pathfinder objective. Second, it presents examples of pioneering CFD research accomplished during NAS's first operational year. Examples are included which illustrate CFD applications for predicting fluid phenomena, complementing and supplementing experimentation, and aiding in design. Finally, pacing elements and future directions for CFD and NAS are discussed.

Exploring the Integration of Computational Modeling in the ASU Modeling Curriculum

NASA Astrophysics Data System (ADS)

Schatz, Michael; Aiken, John; Burk, John; Caballero, Marcos; Douglas, Scott; Thoms, Brian

2012-03-01

We describe the implementation of computational modeling in a ninth grade classroom in the context of the Arizona Modeling Instruction physics curriculum. Using a high-level programming environment (VPython), students develop computational models to predict the motion of objects under a variety of physical situations (e.g., constant net force), to simulate real world phenomenon (e.g., car crash), and to visualize abstract quantities (e.g., acceleration). We discuss how VPython allows students to utilize all four structures that describe a model as given by the ASU Modeling Instruction curriculum. Implications for future work will also be discussed.

Design of a high-speed digital processing element for parallel simulation

NASA Technical Reports Server (NTRS)

Milner, E. J.; Cwynar, D. S.

1983-01-01

A prototype of a custom designed computer to be used as a processing element in a multiprocessor based jet engine simulator is described. The purpose of the custom design was to give the computer the speed and versatility required to simulate a jet engine in real time. Real time simulations are needed for closed loop testing of digital electronic engine controls. The prototype computer has a microcycle time of 133 nanoseconds. This speed was achieved by: prefetching the next instruction while the current one is executing, transporting data using high speed data busses, and using state of the art components such as a very large scale integration (VLSI) multiplier. Included are discussions of processing element requirements, design philosophy, the architecture of the custom designed processing element, the comprehensive instruction set, the diagnostic support software, and the development status of the custom design.

Soil Erosion Study through Simulation: An Educational Tool.

ERIC Educational Resources Information Center

Huber, Thomas P.; Falkenmayer, Karen

1987-01-01

Discusses the need for education about soil erosion and advocates the use of the Universal Soil Loss Equation (USLE) to show the impacts of human and natural action on the land. Describes the use of a computer simulated version of the USLE in several environmental and farming situations. (TW)

An Undergraduate Course in Modeling and Simulation of Multiphysics Systems

ERIC Educational Resources Information Center

Ortiz-Rodriguez, Estanislao; Vazquez-Arenas, Jorge; Ricardez-Sandoval, Luis A.

2010-01-01

An overview of a course on modeling and simulation offered at the Nanotechnology Engineering undergraduate program at the University of Waterloo. The motivation for having this course in the undergraduate nanotechnology curriculum, the course structure, and its learning objectives are discussed. Further, one of the computational laboratories…

Shuttle mission simulator. Volume 2: Requirement report, volume 2, revision C

NASA Technical Reports Server (NTRS)

Burke, J. F.

1973-01-01

The requirements for space shuttle simulation which are discussed include: general requirements, program management, system engineering, design and development, crew stations, on-board computers, and systems integration. For Vol. 1, revision A see N73-22203, for Vol 2, revision A see N73-22204.

Multiscale Aspects of Modeling Gas-Phase Nanoparticle Synthesis

PubMed Central

Buesser, B.; Gröhn, A.J.

2013-01-01

Aerosol reactors are utilized to manufacture nanoparticles in industrially relevant quantities. The development, understanding and scale-up of aerosol reactors can be facilitated with models and computer simulations. This review aims to provide an overview of recent developments of models and simulations and discuss their interconnection in a multiscale approach. A short introduction of the various aerosol reactor types and gas-phase particle dynamics is presented as a background for the later discussion of the models and simulations. Models are presented with decreasing time and length scales in sections on continuum, mesoscale, molecular dynamics and quantum mechanics models. PMID:23729992

Modeling approaches for the simulation of ultrasonic inspections of anisotropic composite structures in the CIVA software platform

NASA Astrophysics Data System (ADS)

Jezzine, Karim; Imperiale, Alexandre; Demaldent, Edouard; Le Bourdais, Florian; Calmon, Pierre; Dominguez, Nicolas

2018-04-01

Models for the simulation of ultrasonic inspections of flat and curved plate-like composite structures, as well as stiffeners, are available in the CIVA-COMPOSITE module released in 2016. A first modelling approach using a ray-based model is able to predict the ultrasonic propagation in an anisotropic effective medium obtained after having homogenized the composite laminate. Fast 3D computations can be performed on configurations featuring delaminations, flat bottom holes or inclusions for example. In addition, computations on ply waviness using this model will be available in CIVA 2017. Another approach is proposed in the CIVA-COMPOSITE module. It is based on the coupling of CIVA ray-based model and a finite difference scheme in time domain (FDTD) developed by AIRBUS. The ray model handles the ultrasonic propagation between the transducer and the FDTD computation zone that surrounds the composite part. In this way, the computational efficiency is preserved and the ultrasound scattering by the composite structure can be predicted. Alternatively, a high order finite element approach is currently developed at CEA but not yet integrated in CIVA. The advantages of this approach will be discussed and first simulation results on Carbon Fiber Reinforced Polymers (CFRP) will be shown. Finally, the application of these modelling tools to the construction of metamodels is discussed.

Cosmological neutrino simulations at extreme scale

DOE PAGES

Emberson, J. D.; Yu, Hao-Ran; Inman, Derek; ...

2017-08-01

Constraining neutrino mass remains an elusive challenge in modern physics. Precision measurements are expected from several upcoming cosmological probes of large-scale structure. Achieving this goal relies on an equal level of precision from theoretical predictions of neutrino clustering. Numerical simulations of the non-linear evolution of cold dark matter and neutrinos play a pivotal role in this process. We incorporate neutrinos into the cosmological N-body code CUBEP3M and discuss the challenges associated with pushing to the extreme scales demanded by the neutrino problem. We highlight code optimizations made to exploit modern high performance computing architectures and present a novel method ofmore » data compression that reduces the phase-space particle footprint from 24 bytes in single precision to roughly 9 bytes. We scale the neutrino problem to the Tianhe-2 supercomputer and provide details of our production run, named TianNu, which uses 86% of the machine (13,824 compute nodes). With a total of 2.97 trillion particles, TianNu is currently the world’s largest cosmological N-body simulation and improves upon previous neutrino simulations by two orders of magnitude in scale. We finish with a discussion of the unanticipated computational challenges that were encountered during the TianNu runtime.« less

A computable expression of closure to efficient causation.

PubMed

Mossio, Matteo; Longo, Giuseppe; Stewart, John

2009-04-07

In this paper, we propose a mathematical expression of closure to efficient causation in terms of lambda-calculus; we argue that this opens up the perspective of developing principled computer simulations of systems closed to efficient causation in an appropriate programming language. An important implication of our formulation is that, by exhibiting an expression in lambda-calculus, which is a paradigmatic formalism for computability and programming, we show that there are no conceptual or principled problems in realizing a computer simulation or model of closure to efficient causation. We conclude with a brief discussion of the question whether closure to efficient causation captures all relevant properties of living systems. We suggest that it might not be the case, and that more complex definitions could indeed create crucial some obstacles to computability.

DYGABCD: A program for calculating linear A, B, C, and D matrices from a nonlinear dynamic engine simulation

NASA Technical Reports Server (NTRS)

Geyser, L. C.

1978-01-01

A digital computer program, DYGABCD, was developed that generates linearized, dynamic models of simulated turbofan and turbojet engines. DYGABCD is based on an earlier computer program, DYNGEN, that is capable of calculating simulated nonlinear steady-state and transient performance of one- and two-spool turbojet engines or two- and three-spool turbofan engines. Most control design techniques require linear system descriptions. For multiple-input/multiple-output systems such as turbine engines, state space matrix descriptions of the system are often desirable. DYGABCD computes the state space matrices commonly referred to as the A, B, C, and D matrices required for a linear system description. The report discusses the analytical approach and provides a users manual, FORTRAN listings, and a sample case.

Atomistic Computer Simulations of Water Interactions and Dissolution of Inorganic Glasses

DOE PAGES

Du, Jincheng; Rimsza, Jessica

2017-09-01

Computational simulations at the atomistic level play an increasing important role in understanding the structures, behaviors, and the structure-property relationships of glass and amorphous materials. In this paper, we reviewed atomistic simulation methods ranging from first principles calculations and ab initio molecular dynamics (AIMD), to classical molecular dynamics (MD) and meso-scale kinetic Monte Carlo (KMC) simulations and their applications to glass-water interactions and glass dissolutions. Particularly, the use of these simulation methods in understanding the reaction mechanisms of water with oxide glasses, water-glass interfaces, hydrated porous silica gels formation, the structure and properties of multicomponent glasses, and microstructure evolution aremore » reviewed. Here, the advantages and disadvantageous of these methods are discussed and the current challenges and future direction of atomistic simulations in glass dissolution are presented.« less

The impact of supercomputers on experimentation: A view from a national laboratory

NASA Technical Reports Server (NTRS)

Peterson, V. L.; Arnold, J. O.

1985-01-01

The relative roles of large scale scientific computers and physical experiments in several science and engineering disciplines are discussed. Increasing dependence on computers is shown to be motivated both by the rapid growth in computer speed and memory, which permits accurate numerical simulation of complex physical phenomena, and by the rapid reduction in the cost of performing a calculation, which makes computation an increasingly attractive complement to experimentation. Computer speed and memory requirements are presented for selected areas of such disciplines as fluid dynamics, aerodynamics, aerothermodynamics, chemistry, atmospheric sciences, astronomy, and astrophysics, together with some examples of the complementary nature of computation and experiment. Finally, the impact of the emerging role of computers in the technical disciplines is discussed in terms of both the requirements for experimentation and the attainment of previously inaccessible information on physical processes.

NEAMS Update. Quarterly Report for October - December 2011.

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

Bradley, K.

2012-02-16

The Advanced Modeling and Simulation Office within the DOE Office of Nuclear Energy (NE) has been charged with revolutionizing the design tools used to build nuclear power plants during the next 10 years. To accomplish this, the DOE has brought together the national laboratories, U.S. universities, and the nuclear energy industry to establish the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program. The mission of NEAMS is to modernize computer modeling of nuclear energy systems and improve the fidelity and validity of modeling results using contemporary software environments and high-performance computers. NEAMS will create a set of engineering-level codes aimedmore » at designing and analyzing the performance and safety of nuclear power plants and reactor fuels. The truly predictive nature of these codes will be achieved by modeling the governing phenomena at the spatial and temporal scales that dominate the behavior. These codes will be executed within a simulation environment that orchestrates code integration with respect to spatial meshing, computational resources, and execution to give the user a common 'look and feel' for setting up problems and displaying results. NEAMS is building upon a suite of existing simulation tools, including those developed by the federal Scientific Discovery through Advanced Computing and Advanced Simulation and Computing programs. NEAMS also draws upon existing simulation tools for materials and nuclear systems, although many of these are limited in terms of scale, applicability, and portability (their ability to be integrated into contemporary software and hardware architectures). NEAMS investments have directly and indirectly supported additional NE research and development programs, including those devoted to waste repositories, safeguarded separations systems, and long-term storage of used nuclear fuel. NEAMS is organized into two broad efforts, each comprising four elements. The quarterly highlights October-December 2011 are: (1) Version 1.0 of AMP, the fuel assembly performance code, was tested on the JAGUAR supercomputer and released on November 1, 2011, a detailed discussion of this new simulation tool is given; (2) A coolant sub-channel model and a preliminary UO{sub 2} smeared-cracking model were implemented in BISON, the single-pin fuel code, more information on how these models were developed and benchmarked is given; (3) The Object Kinetic Monte Carlo model was implemented to account for nucleation events in meso-scale simulations and a discussion of the significance of this advance is given; (4) The SHARP neutronics module, PROTEUS, was expanded to be applicable to all types of reactors, and a discussion of the importance of PROTEUS is given; (5) A plan has been finalized for integrating the high-fidelity, three-dimensional reactor code SHARP with both the systems-level code RELAP7 and the fuel assembly code AMP. This is a new initiative; (6) Work began to evaluate the applicability of AMP to the problem of dry storage of used fuel and to define a relevant problem to test the applicability; (7) A code to obtain phonon spectra from the force-constant matrix for a crystalline lattice has been completed. This important bridge between subcontinuum and continuum phenomena is discussed; (8) Benchmarking was begun on the meso-scale, finite-element fuels code MARMOT to validate its new variable splitting algorithm; (9) A very computationally demanding simulation of diffusion-driven nucleation of new microstructural features has been completed. An explanation of the difficulty of this simulation is given; (10) Experiments were conducted with deformed steel to validate a crystal plasticity finite-element code for bodycentered cubic iron; (11) The Capability Transfer Roadmap was completed and published as an internal laboratory technical report; (12) The AMP fuel assembly code input generator was integrated into the NEAMS Integrated Computational Environment (NiCE). More details on the planned NEAMS computing environment is given; and (13) The NEAMS program website (neams.energy.gov) is nearly ready to launch.« 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.

The Promise of Quantum Simulation.

PubMed

Muller, Richard P; Blume-Kohout, Robin

2015-08-25

Quantum simulations promise to be one of the primary applications of quantum computers, should one be constructed. This article briefly summarizes the history of quantum simulation in light of the recent result of Wang and co-workers, demonstrating calculation of the ground and excited states for a HeH(+) molecule, and concludes with a discussion of why this and other recent progress in the field suggest that quantum simulations of quantum chemistry have a bright future.

Micromagnetics on high-performance workstation and mobile computational platforms

NASA Astrophysics Data System (ADS)

Fu, S.; Chang, R.; Couture, S.; Menarini, M.; Escobar, M. A.; Kuteifan, M.; Lubarda, M.; Gabay, D.; Lomakin, V.

2015-05-01

The feasibility of using high-performance desktop and embedded mobile computational platforms is presented, including multi-core Intel central processing unit, Nvidia desktop graphics processing units, and Nvidia Jetson TK1 Platform. FastMag finite element method-based micromagnetic simulator is used as a testbed, showing high efficiency on all the platforms. Optimization aspects of improving the performance of the mobile systems are discussed. The high performance, low cost, low power consumption, and rapid performance increase of the embedded mobile systems make them a promising candidate for micromagnetic simulations. Such architectures can be used as standalone systems or can be built as low-power computing clusters.

Ocean modelling on the CYBER 205 at GFDL

NASA Technical Reports Server (NTRS)

Cox, M.

1984-01-01

At the Geophysical Fluid Dynamics Laboratory, research is carried out for the purpose of understanding various aspects of climate, such as its variability, predictability, stability and sensitivity. The atmosphere and oceans are modelled mathematically and their phenomenology studied by computer simulation methods. The present state-of-the-art in the computer simulation of large scale oceans on the CYBER 205 is discussed. While atmospheric modelling differs in some aspects, the basic approach used is similar. The equations of the ocean model are presented along with a short description of the numerical techniques used to find their solution. Computational considerations and a typical solution are presented in section 4.

Multiscale Simulations of Reactive Transport

NASA Astrophysics Data System (ADS)

Tartakovsky, D. M.; Bakarji, J.

2014-12-01

Discrete, particle-based simulations offer distinct advantages when modeling solute transport and chemical reactions. For example, Brownian motion is often used to model diffusion in complex pore networks, and Gillespie-type algorithms allow one to handle multicomponent chemical reactions with uncertain reaction pathways. Yet such models can be computationally more intensive than their continuum-scale counterparts, e.g., advection-dispersion-reaction equations. Combining the discrete and continuum models has a potential to resolve the quantity of interest with a required degree of physicochemical granularity at acceptable computational cost. We present computational examples of such "hybrid models" and discuss the challenges associated with coupling these two levels of description.

Computational model for simulation of sequences of helicity and angular momentum transfer in turbid tissue-like scattering medium (Conference Presentation)

NASA Astrophysics Data System (ADS)

Doronin, Alexander; Meglinski, Igor

2017-02-01

Current report considers development of a unified Monte Carlo (MC) -based computational model for simulation of propagation of Laguerre-Gaussian (LG) beams in turbid tissue-like scattering medium. With a primary goal to proof the concept of using complex light for tissue diagnosis we explore propagation of LG beams in comparison with Gaussian beams for both linear and circular polarization. MC simulations of radially and azimuthally polarized LG beams in turbid media have been performed, classic phenomena such as preservation of the orbital angular momentum, optical memory and helicity flip are observed, detailed comparison is presented and discussed.

Analysis of the possibilities and limits of the Moldflow method

NASA Astrophysics Data System (ADS)

Brierre, M.

1982-01-01

The Moldflow information and computation service is presented. Moldflow is a computer program and data bank available as a computer aid to dimensioning thermoplastic injection molding equipment and processes. It is based on the simultaneous solution of thermal and rheological equations and is intended to completely simulate the injection process. The Moldflow system is described and algorithms are discussed, based on Moldflow listings.

Computational methods and software systems for dynamics and control of large space structures

NASA Technical Reports Server (NTRS)

Park, K. C.; Felippa, C. A.; Farhat, C.; Pramono, E.

1990-01-01

Two key areas of crucial importance to the computer-based simulation of large space structures are discussed. The first area involves multibody dynamics (MBD) of flexible space structures, with applications directed to deployment, construction, and maneuvering. The second area deals with advanced software systems, with emphasis on parallel processing. The latest research thrust in the second area involves massively parallel computers.

Computational Fluid Dynamics Technology for Hypersonic Applications

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.

2003-01-01

Several current challenges in computational fluid dynamics and aerothermodynamics for hypersonic vehicle applications are discussed. Example simulations are presented from code validation and code benchmarking efforts to illustrate capabilities and limitations. Opportunities to advance the state-of-art in algorithms, grid generation and adaptation, and code validation are identified. Highlights of diverse efforts to address these challenges are then discussed. One such effort to re-engineer and synthesize the existing analysis capability in LAURA, VULCAN, and FUN3D will provide context for these discussions. The critical (and evolving) role of agile software engineering practice in the capability enhancement process is also noted.

Digital multishaker modal testing

NASA Technical Reports Server (NTRS)

Blair, M.; Craig, R. R., Jr.

1983-01-01

A review of several modal testing techniques is made, along with brief discussions of their advantages and limitations. A new technique is presented which overcomes many of the previous limitations. Several simulated experiments are included to verify the validity and accuracy of the new method. Conclusions are drawn from the simulation studies and recommendations for further work are presented. The complete computer code configured for the simulation study is presented.

Simulation system architecture design for generic communications link

NASA Technical Reports Server (NTRS)

Tsang, Chit-Sang; Ratliff, Jim

1986-01-01

This paper addresses a computer simulation system architecture design for generic digital communications systems. It addresses the issues of an overall system architecture in order to achieve a user-friendly, efficient, and yet easily implementable simulation system. The system block diagram and its individual functional components are described in detail. Software implementation is discussed with the VAX/VMS operating system used as a target environment.

Ground testing and simulation. II - Aerodynamic testing and simulation: Saving lives, time, and money

NASA Technical Reports Server (NTRS)

Dayman, B., Jr.; Fiore, A. W.

1974-01-01

The present work discusses in general terms the various kinds of ground facilities, in particular, wind tunnels, which support aerodynamic testing. Since not all flight parameters can be simulated simultaneously, an important problem consists in matching parameters. It is pointed out that there is a lack of wind tunnels for a complete Reynolds-number simulation. Using a computer to simulate flow fields can result in considerable reduction of wind-tunnel hours required to develop a given flight vehicle.

Construction of dynamic stochastic simulation models using knowledge-based techniques

NASA Technical Reports Server (NTRS)

Williams, M. Douglas; Shiva, Sajjan G.

1990-01-01

Over the past three decades, computer-based simulation models have proven themselves to be cost-effective alternatives to the more structured deterministic methods of systems analysis. During this time, many techniques, tools and languages for constructing computer-based simulation models have been developed. More recently, advances in knowledge-based system technology have led many researchers to note the similarities between knowledge-based programming and simulation technologies and to investigate the potential application of knowledge-based programming techniques to simulation modeling. The integration of conventional simulation techniques with knowledge-based programming techniques is discussed to provide a development environment for constructing knowledge-based simulation models. A comparison of the techniques used in the construction of dynamic stochastic simulation models and those used in the construction of knowledge-based systems provides the requirements for the environment. This leads to the design and implementation of a knowledge-based simulation development environment. These techniques were used in the construction of several knowledge-based simulation models including the Advanced Launch System Model (ALSYM).

Adaptive thinking & leadership simulation game training for special forces officers.

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

Raybourn, Elaine Marie; Mendini, Kip; Heneghan, Jerry

Complex problem solving approaches and novel strategies employed by the military at the squad, team, and commander level are often best learned experimentally. Since live action exercises can be costly, advances in simulation game training technology offer exciting ways to enhance current training. Computer games provide an environment for active, critical learning. Games open up possibilities for simultaneous learning on multiple levels; players may learn from contextual information embedded in the dynamics of the game, the organic process generated by the game, and through the risks, benefits, costs, outcomes, and rewards of alternative strategies that result from decision making. Inmore » the present paper we discuss a multiplayer computer game simulation created for the Adaptive Thinking & Leadership (ATL) Program to train Special Forces Team Leaders. The ATL training simulation consists of a scripted single-player and an immersive multiplayer environment for classroom use which leverages immersive computer game technology. We define adaptive thinking as consisting of competencies such as negotiation and consensus building skills, the ability to communicate effectively, analyze ambiguous situations, be self-aware, think innovatively, and critically use effective problem solving skills. Each of these competencies is an essential element of leader development training for the U.S. Army Special Forces. The ATL simulation is used to augment experiential learning in the curriculum for the U.S. Army JFK Special Warfare Center & School (SWCS) course in Adaptive Thinking & Leadership. The school is incorporating the ATL simulation game into two additional training pipelines (PSYOPS and Civil Affairs Qualification Courses) that are also concerned with developing cultural awareness, interpersonal communication adaptability, and rapport-building skills. In the present paper, we discuss the design, development, and deployment of the training simulation, and emphasize how the multiplayer simulation game is successfully used in the Special Forces Officer training program.« less

Toward high-efficiency and detailed Monte Carlo simulation study of the granular flow spallation target

NASA Astrophysics Data System (ADS)

Cai, Han-Jie; Zhang, Zhi-Lei; Fu, Fen; Li, Jian-Yang; Zhang, Xun-Chao; Zhang, Ya-Ling; Yan, Xue-Song; Lin, Ping; Xv, Jian-Ya; Yang, Lei

2018-02-01

The dense granular flow spallation target is a new target concept chosen for the Accelerator-Driven Subcritical (ADS) project in China. For the R&D of this kind of target concept, a dedicated Monte Carlo (MC) program named GMT was developed to perform the simulation study of the beam-target interaction. Owing to the complexities of the target geometry, the computational cost of the MC simulation of particle tracks is highly expensive. Thus, improvement of computational efficiency will be essential for the detailed MC simulation studies of the dense granular target. Here we present the special design of the GMT program and its high efficiency performance. In addition, the speedup potential of the GPU-accelerated spallation models is discussed.

NAVSIM 2: A computer program for simulating aided-inertial navigation for aircraft

NASA Technical Reports Server (NTRS)

Bjorkman, William S.

1987-01-01

NAVSIM II, a computer program for analytical simulation of aided-inertial navigation for aircraft, is described. The description is supported by a discussion of the program's application to the design and analysis of aided-inertial navigation systems as well as instructions for utilizing the program and for modifying it to accommodate new models, constraints, algorithms and scenarios. NAVSIM II simulates an airborne inertial navigation system built around a strapped-down inertial measurement unit and aided in its function by GPS, Doppler radar, altimeter, airspeed, and position-fix measurements. The measurements are incorporated into the navigation estimate via a UD-form Kalman filter. The simulation was designed and implemented using structured programming techniques and with particular attention to user-friendly operation.

Computational Aerodynamic Simulations of a Spacecraft Cabin Ventilation Fan Design

NASA Technical Reports Server (NTRS)

Tweedt, Daniel L.

2010-01-01

Quieter working environments for astronauts are needed if future long-duration space exploration missions are to be safe and productive. Ventilation and payload cooling fans are known to be dominant sources of noise, with the International Space Station being a good case in point. To address this issue cost effectively, early attention to fan design, selection, and installation has been recommended, leading to an effort by NASA to examine the potential for small-fan noise reduction by improving fan aerodynamic design. As a preliminary part of that effort, the aerodynamics of a cabin ventilation fan designed by Hamilton Sundstrand has been simulated using computational fluid dynamics codes, and the computed solutions analyzed to quantify various aspects of the fan aerodynamics and performance. Four simulations were performed at the design rotational speed: two at the design flow rate and two at off-design flow rates. Following a brief discussion of the computational codes, various aerodynamic- and performance-related quantities derived from the computed flow fields are presented along with relevant flow field details. The results show that the computed fan performance is in generally good agreement with stated design goals.

Supercomputers ready for use as discovery machines for neuroscience.

PubMed

Helias, Moritz; Kunkel, Susanne; Masumoto, Gen; Igarashi, Jun; Eppler, Jochen Martin; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus

2012-01-01

NEST is a widely used tool to simulate biological spiking neural networks. Here we explain the improvements, guided by a mathematical model of memory consumption, that enable us to exploit for the first time the computational power of the K supercomputer for neuroscience. Multi-threaded components for wiring and simulation combine 8 cores per MPI process to achieve excellent scaling. K is capable of simulating networks corresponding to a brain area with 10(8) neurons and 10(12) synapses in the worst case scenario of random connectivity; for larger networks of the brain its hierarchical organization can be exploited to constrain the number of communicating computer nodes. We discuss the limits of the software technology, comparing maximum filling scaling plots for K and the JUGENE BG/P system. The usability of these machines for network simulations has become comparable to running simulations on a single PC. Turn-around times in the range of minutes even for the largest systems enable a quasi interactive working style and render simulations on this scale a practical tool for computational neuroscience.

Supercomputers Ready for Use as Discovery Machines for Neuroscience

PubMed Central

Helias, Moritz; Kunkel, Susanne; Masumoto, Gen; Igarashi, Jun; Eppler, Jochen Martin; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus

2012-01-01

NEST is a widely used tool to simulate biological spiking neural networks. Here we explain the improvements, guided by a mathematical model of memory consumption, that enable us to exploit for the first time the computational power of the K supercomputer for neuroscience. Multi-threaded components for wiring and simulation combine 8 cores per MPI process to achieve excellent scaling. K is capable of simulating networks corresponding to a brain area with 108 neurons and 1012 synapses in the worst case scenario of random connectivity; for larger networks of the brain its hierarchical organization can be exploited to constrain the number of communicating computer nodes. We discuss the limits of the software technology, comparing maximum filling scaling plots for K and the JUGENE BG/P system. The usability of these machines for network simulations has become comparable to running simulations on a single PC. Turn-around times in the range of minutes even for the largest systems enable a quasi interactive working style and render simulations on this scale a practical tool for computational neuroscience. PMID:23129998

Human-computer interaction in multitask situations

NASA Technical Reports Server (NTRS)

Rouse, W. B.

1977-01-01

Human-computer interaction in multitask decisionmaking situations is considered, and it is proposed that humans and computers have overlapping responsibilities. Queueing theory is employed to model this dynamic approach to the allocation of responsibility between human and computer. Results of simulation experiments are used to illustrate the effects of several system variables including number of tasks, mean time between arrivals of action-evoking events, human-computer speed mismatch, probability of computer error, probability of human error, and the level of feedback between human and computer. Current experimental efforts are discussed and the practical issues involved in designing human-computer systems for multitask situations are considered.

REMOVAL OF TANK AND SEWER SEDIMENT BY GATE FLUSHING: COMPUTATIONAL FLUID DYNAMICS MODEL STUDIES

EPA Science Inventory

This presentation will discuss the application of a computational fluid dynamics 3D flow model to simulate gate flushing for removing tank/sewer sediments. The physical model of the flushing device was a tank fabricated and installed at the head-end of a hydraulic flume. The fl...

The Benefits & Drawbacks of Integrating Cloud Computing and Interactive Whiteboards in Teacher Preparation

ERIC Educational Resources Information Center

Blue, Elfreda; Tirotta, Rose

2011-01-01

Twenty-first century technology has changed the way tools are used to support and enhance learning and instruction. Cloud computing and interactive white boards, make it possible for learners to interact, simulate, collaborate, and document learning experiences and real world problem-solving. This article discusses how various technologies (blogs,…

Evolutionary computing for the design search and optimization of space vehicle power subsystems

NASA Technical Reports Server (NTRS)

Kordon, M.; Klimeck, G.; Hanks, D.

2004-01-01

Evolutionary computing has proven to be a straightforward and robust approach for optimizing a wide range of difficult analysis and design problems. This paper discusses the application of these techniques to an existing space vehicle power subsystem resource and performance analysis simulation in a parallel processing environment.

Using Computer-Based "Experiments" in the Analysis of Chemical Reaction Equilibria

ERIC Educational Resources Information Center

Li, Zhao; Corti, David S.

2018-01-01

The application of the Reaction Monte Carlo (RxMC) algorithm to standard textbook problems in chemical reaction equilibria is discussed. The RxMC method is a molecular simulation algorithm for studying the equilibrium properties of reactive systems, and therefore provides the opportunity to develop computer-based "experiments" for the…

Development of a PC-based diabetes simulator in collaboration with teenagers with type 1 diabetes.

PubMed

Nordfeldt, S; Hanberger, L; Malm, F; Ludvigsson, J

2007-02-01

The main aim of this study was to develop and test in a pilot study a PC-based interactive diabetes simulator prototype as a part of future Internet-based support systems for young teenagers and their families. A second aim was to gain experience in user-centered design (UCD) methods applied to such subjects. Using UCD methods, a computer scientist participated in iterative user group sessions involving teenagers with Type 1 diabetes 13-17 years old and parents. Input was transformed into a requirements specification by the computer scientist and advisors. This was followed by gradual prototype development based on a previously developed mathematical core. Individual test sessions were followed by a pilot study with five subjects testing a prototype. The process was evaluated by registration of flow and content of input and opinions from expert advisors. It was initially difficult to motivate teenagers to participate. User group discussion topics ranged from concrete to more academic matters. The issue of a simulator created active discussions among parents and teenagers. A large amount of input was generated from discussions among the teenagers. Individual test runs generated useful input. A pilot study suggested that the gradually elaborated software was functional. A PC-based diabetes simulator may create substantial interest among teenagers and parents, and the prototype seems worthy of further development and studies. UCD methods may generate significant input for computer support system design work and contribute to a functional design. Teenager involvement in design work may require time, patience, and flexibility.

Estimation of conformational entropy in protein-ligand interactions: a computational perspective.

PubMed

Polyansky, Anton A; Zubac, Ruben; Zagrovic, Bojan

2012-01-01

Conformational entropy is an important component of the change in free energy upon binding of a ligand to its target protein. As a consequence, development of computational techniques for reliable estimation of conformational entropies is currently receiving an increased level of attention in the context of computational drug design. Here, we review the most commonly used techniques for conformational entropy estimation from classical molecular dynamics simulations. Although by-and-large still not directly used in practical drug design, these techniques provide a golden standard for developing other, computationally less-demanding methods for such applications, in addition to furthering our understanding of protein-ligand interactions in general. In particular, we focus on the quasi-harmonic approximation and discuss different approaches that can be used to go beyond it, most notably, when it comes to treating anharmonic and/or correlated motions. In addition to reviewing basic theoretical formalisms, we provide a concrete set of steps required to successfully calculate conformational entropy from molecular dynamics simulations, as well as discuss a number of practical issues that may arise in such calculations.

Computational materials chemistry for carbon capture using porous materials

NASA Astrophysics Data System (ADS)

Sharma, Abhishek; Huang, Runhong; Malani, Ateeque; Babarao, Ravichandar

2017-11-01

Control over carbon dioxide (CO2) release is extremely important to decrease its hazardous effects on the environment such as global warming, ocean acidification, etc. For CO2 capture and storage at industrial point sources, nanoporous materials offer an energetically viable and economically feasible approach compared to chemisorption in amines. There is a growing need to design and synthesize new nanoporous materials with enhanced capability for carbon capture. Computational materials chemistry offers tools to screen and design cost-effective materials for CO2 separation and storage, and it is less time consuming compared to trial and error experimental synthesis. It also provides a guide to synthesize new materials with better properties for real world applications. In this review, we briefly highlight the various carbon capture technologies and the need of computational materials design for carbon capture. This review discusses the commonly used computational chemistry-based simulation methods for structural characterization and prediction of thermodynamic properties of adsorbed gases in porous materials. Finally, simulation studies reported on various potential porous materials, such as zeolites, porous carbon, metal organic frameworks (MOFs) and covalent organic frameworks (COFs), for CO2 capture are discussed.

Development of computational small animal models and their applications in preclinical imaging and therapy research.

PubMed

Xie, Tianwu; Zaidi, Habib

2016-01-01

The development of multimodality preclinical imaging techniques and the rapid growth of realistic computer simulation tools have promoted the construction and application of computational laboratory animal models in preclinical research. Since the early 1990s, over 120 realistic computational animal models have been reported in the literature and used as surrogates to characterize the anatomy of actual animals for the simulation of preclinical studies involving the use of bioluminescence tomography, fluorescence molecular tomography, positron emission tomography, single-photon emission computed tomography, microcomputed tomography, magnetic resonance imaging, and optical imaging. Other applications include electromagnetic field simulation, ionizing and nonionizing radiation dosimetry, and the development and evaluation of new methodologies for multimodality image coregistration, segmentation, and reconstruction of small animal images. This paper provides a comprehensive review of the history and fundamental technologies used for the development of computational small animal models with a particular focus on their application in preclinical imaging as well as nonionizing and ionizing radiation dosimetry calculations. An overview of the overall process involved in the design of these models, including the fundamental elements used for the construction of different types of computational models, the identification of original anatomical data, the simulation tools used for solving various computational problems, and the applications of computational animal models in preclinical research. The authors also analyze the characteristics of categories of computational models (stylized, voxel-based, and boundary representation) and discuss the technical challenges faced at the present time as well as research needs in the future.

Neurolinguistically constrained simulation of sentence comprehension: integrating artificial intelligence and brain theory

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

Gigley, H.M.

1982-01-01

An artificial intelligence approach to the simulation of neurolinguistically constrained processes in sentence comprehension is developed using control strategies for simulation of cooperative computation in associative networks. The desirability of this control strategy in contrast to ATN and production system strategies is explained. A first pass implementation of HOPE, an artificial intelligence simulation model of sentence comprehension, constrained by studies of aphasic performance, psycholinguistics, neurolinguistics, and linguistic theory is described. Claims that the model could serve as a basis for sentence production simulation and for a model of language acquisition as associative learning are discussed. HOPE is a model thatmore » performs in a normal state and includes a lesion simulation facility. HOPE is also a research tool. Its modifiability and use as a tool to investigate hypothesized causes of degradation in comprehension performance by aphasic patients are described. Issues of using behavioral constraints in modelling and obtaining appropriate data for simulated process modelling are discussed. Finally, problems of validation of the simulation results are raised; and issues of how to interpret clinical results to define the evolution of the model are discussed. Conclusions with respect to the feasibility of artificial intelligence simulation process modelling are discussed based on the current state of research.« less

Stochastic Estimation and Control of Queues Within a Computer Network

DTIC Science & Technology

2009-03-01

3]. And NS-2 is a network simulator developed at UC Berkely and is a well known, free, powerful network simulator tool. As will be more discussed...HA011118931033.aspx 7. James Trulove , “Broadband Networking”, CRC Press, 2nd edition, 2000 8. Jonathan Pengelly “MONTE CARLO METHODS” University of Otago

Economic Analysis. Computer Simulation Models.

ERIC Educational Resources Information Center

Sterling Inst., Washington, DC. Educational Technology Center.

A multimedia course in economic analysis was developed and used in conjunction with the United States Naval Academy. (See ED 043 790 and ED 043 791 for final reports of the project evaluation and development model.) This volume of the text discusses the simulation of behavioral relationships among variable elements in an economy and presents…

Temperature specification in atomistic molecular dynamics and its impact on simulation efficacy

NASA Astrophysics Data System (ADS)

Ocaya, R. O.; Terblans, J. J.

2017-10-01

Temperature is a vital thermodynamical function for physical systems. Knowledge of system temperature permits assessment of system ergodicity, entropy, system state and stability. Rapid theoretical and computational developments in the fields of condensed matter physics, chemistry, material science, molecular biology, nanotechnology and others necessitate clarity in the temperature specification. Temperature-based materials simulations, both standalone and distributed computing, are projected to grow in prominence over diverse research fields. In this article we discuss the apparent variability of temperature modeling formalisms used currently in atomistic molecular dynamics simulations, with respect to system energetics,dynamics and structural evolution. Commercial simulation programs, which by nature are heuristic, do not openly discuss this fundamental question. We address temperature specification in the context of atomistic molecular dynamics. We define a thermostat at 400K relative to a heat bath at 300K firstly using a modified ab-initio Newtonian method, and secondly using a Monte-Carlo method. The thermostatic vacancy formation and cohesion energies, equilibrium lattice constant for FCC copper is then calculated. Finally we compare and contrast the results.

What have we learned from the German consortium project STORM aiming at high-resolution climate simulations?

NASA Astrophysics Data System (ADS)

von Storch, Jin-Song

2014-05-01

The German consortium STORM was built to explore high-resolution climate simulations using the high-performance computer stored at the German Climate Computer Center (DKRZ). One of the primary goals is to quantify the effect of unresolved (and parametrized) processes on climate sensitivity. We use ECHAM6/MPIOM, the coupled atmosphere-ocean model developed at the Max-Planck Institute for Meteorology. The resolution is T255L95 for the atmosphere and 1/10 degree and 80 vertical levels for the ocean. We discuss results of stand-alone runs, i.e. the ocean-only simulation driven by the NCEP/NCAR renalaysis and the atmosphere-only AMIP-type of simulation. Increasing resolution leads to a redistribution of biases, even though some improvements, both in the atmosphere and in the ocean, can clearly be attributed to the increase in resolution. We represent also new insights on ocean meso-scale eddies, in particular their effects on the ocean's energetics. Finally, we discuss the status and problems of the coupled high-resolution runs.

Acceleration techniques for dependability simulation. M.S. Thesis

NASA Technical Reports Server (NTRS)

Barnette, James David

1995-01-01

As computer systems increase in complexity, the need to project system performance from the earliest design and development stages increases. We have to employ simulation for detailed dependability studies of large systems. However, as the complexity of the simulation model increases, the time required to obtain statistically significant results also increases. This paper discusses an approach that is application independent and can be readily applied to any process-based simulation model. Topics include background on classical discrete event simulation and techniques for random variate generation and statistics gathering to support simulation.

Turbulence simulation mechanization for Space Shuttle Orbiter dynamics and control studies

NASA Technical Reports Server (NTRS)

Tatom, F. B.; King, R. L.

1977-01-01

The current version of the NASA turbulent simulation model in the form of a digital computer program, TBMOD, is described. The logic of the program is discussed and all inputs and outputs are defined. An alternate method of shear simulation suitable for incorporation into the model is presented. The simulation is based on a von Karman spectrum and the assumption of isotropy. The resulting spectral density functions for the shear model are included.

The promise of quantum simulation

DOE PAGES

Muller, Richard P.; Blume-Kohout, Robin

2015-07-21

In this study, quantum simulations promise to be one of the primary applications of quantum computers, should one be constructed. This article briefly summarizes the history of quantum simulation in light of the recent result of Wang and co-workers, demonstrating calculation of the ground and excited states for a HeH + molecule, and concludes with a discussion of why this and other recent progress in the field suggest that quantum simulations of quantum chemistry have a bright future.

Simulation of solid-liquid flows in a stirred bead mill based on computational fluid dynamics (CFD)

NASA Astrophysics Data System (ADS)

Winardi, S.; Widiyastuti, W.; Septiani, E. L.; Nurtono, T.

2018-05-01

The selection of simulation model is an important step in computational fluid dynamics (CFD) to obtain an agreement with experimental work. In addition, computational time and processor speed also influence the performance of the simulation results. Here, we report the simulation of solid-liquid flow in a bead mill using Eulerian model. Multiple Reference Frame (MRF) was also used to model the interaction between moving (shaft and disk) and stationary (chamber exclude shaft and disk) zones. Bead mill dimension was based on the experimental work of Yamada and Sakai (2013). The effect of shaft rotation speed of 1200 and 1800 rpm on the particle distribution and the flow field was discussed. For rotation speed of 1200 rpm, the particles spread evenly throughout the bead mill chamber. On the other hand, for the rotation speed of 1800 rpm, the particles tend to be thrown to the near wall region resulting in the dead zone and found no particle in the center region. The selected model agreed well to the experimental data with average discrepancies less than 10%. Furthermore, the simulation was run without excessive computational cost.

Parallel Computational Fluid Dynamics: Current Status and Future Requirements

NASA Technical Reports Server (NTRS)

Simon, Horst D.; VanDalsem, William R.; Dagum, Leonardo; Kutler, Paul (Technical Monitor)

1994-01-01

One or the key objectives of the Applied Research Branch in the Numerical Aerodynamic Simulation (NAS) Systems Division at NASA Allies Research Center is the accelerated introduction of highly parallel machines into a full operational environment. In this report we discuss the performance results obtained from the implementation of some computational fluid dynamics (CFD) applications on the Connection Machine CM-2 and the Intel iPSC/860. We summarize some of the experiences made so far with the parallel testbed machines at the NAS Applied Research Branch. Then we discuss the long term computational requirements for accomplishing some of the grand challenge problems in computational aerosciences. We argue that only massively parallel machines will be able to meet these grand challenge requirements, and we outline the computer science and algorithm research challenges ahead.

Advances in Numerical Boundary Conditions for Computational Aeroacoustics

NASA Technical Reports Server (NTRS)

Tam, Christopher K. W.

1997-01-01

Advances in Computational Aeroacoustics (CAA) depend critically on the availability of accurate, nondispersive, least dissipative computation algorithm as well as high quality numerical boundary treatments. This paper focuses on the recent developments of numerical boundary conditions. In a typical CAA problem, one often encounters two types of boundaries. Because a finite computation domain is used, there are external boundaries. On the external boundaries, boundary conditions simulating the solution outside the computation domain are to be imposed. Inside the computation domain, there may be internal boundaries. On these internal boundaries, boundary conditions simulating the presence of an object or surface with specific acoustic characteristics are to be applied. Numerical boundary conditions, both external or internal, developed for simple model problems are reviewed and examined. Numerical boundary conditions for real aeroacoustic problems are also discussed through specific examples. The paper concludes with a description of some much needed research in numerical boundary conditions for CAA.

Aneesur Rahman Prize Talk

NASA Astrophysics Data System (ADS)

Frenkel, Daan

2007-03-01

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

Modelling and simulation techniques for membrane biology.

PubMed

Burrage, Kevin; Hancock, John; Leier, André; Nicolau, Dan V

2007-07-01

One of the most important aspects of Computational Cell Biology is the understanding of the complicated dynamical processes that take place on plasma membranes. These processes are often so complicated that purely temporal models cannot always adequately capture the dynamics. On the other hand, spatial models can have large computational overheads. In this article, we review some of these issues with respect to chemistry, membrane microdomains and anomalous diffusion and discuss how to select appropriate modelling and simulation paradigms based on some or all the following aspects: discrete, continuous, stochastic, delayed and complex spatial processes.

Structure identification methods for atomistic simulations of crystalline materials

DOE PAGES

Stukowski, Alexander

2012-05-28

Here, we discuss existing and new computational analysis techniques to classify local atomic arrangements in large-scale atomistic computer simulations of crystalline solids. This article includes a performance comparison of typical analysis algorithms such as common neighbor analysis (CNA), centrosymmetry analysis, bond angle analysis, bond order analysis and Voronoi analysis. In addition we propose a simple extension to the CNA method that makes it suitable for multi-phase systems. Finally, we introduce a new structure identification algorithm, the neighbor distance analysis, which is designed to identify atomic structure units in grain boundaries.

Application of Psychological Theories in Agent-Based Modeling: The Case of the Theory of Planned Behavior.

PubMed

Scalco, Andrea; Ceschi, Andrea; Sartori, Riccardo

2018-01-01

It is likely that computer simulations will assume a greater role in the next future to investigate and understand reality (Rand & Rust, 2011). Particularly, agent-based models (ABMs) represent a method of investigation of social phenomena that blend the knowledge of social sciences with the advantages of virtual simulations. Within this context, the development of algorithms able to recreate the reasoning engine of autonomous virtual agents represents one of the most fragile aspects and it is indeed crucial to establish such models on well-supported psychological theoretical frameworks. For this reason, the present work discusses the application case of the theory of planned behavior (TPB; Ajzen, 1991) in the context of agent-based modeling: It is argued that this framework might be helpful more than others to develop a valid representation of human behavior in computer simulations. Accordingly, the current contribution considers issues related with the application of the model proposed by the TPB inside computer simulations and suggests potential solutions with the hope to contribute to shorten the distance between the fields of psychology and computer science.

Computing fluid-particle interaction forces for nano-suspension droplet spreading: molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Zhou, Weizhou; Shi, Baiou; Webb, Edmund

2017-11-01

Recently, there are many experimental and theoretical studies to understand and control the dynamic spreading of nano-suspension droplets on solid surfaces. However, fundamental understanding of driving forces dictating the kinetics of nano-suspension wetting and spreading, especially capillary forces that manifest during the process, is lacking. Here, we present results from atomic scale simulations that were used to compute forces between suspended particles and advancing liquid fronts. The role of nano-particle size, particle loading, and interaction strength on forces computed from simulations will be discussed. Results demonstrate that increasing the particle size dramatically changes observed wetting behavior from depinning to pinning. From simulations on varying particle size, a relationship between computed forces and particle size is advanced and compared to existing expressions in the literature. High particle loading significantly slowed spreading kinetics, by introducing tortuous transport paths for liquid delivery to the advancing contact line. Lastly, we show how weakening the interaction between the particle and the underlying substrate can change a system from exhibiting pinning behavior to de-pinning.

Computational Biochemistry-Enzyme Mechanisms Explored.

PubMed

Culka, Martin; Gisdon, Florian J; Ullmann, G Matthias

2017-01-01

Understanding enzyme mechanisms is a major task to achieve in order to comprehend how living cells work. Recent advances in biomolecular research provide huge amount of data on enzyme kinetics and structure. The analysis of diverse experimental results and their combination into an overall picture is, however, often challenging. Microscopic details of the enzymatic processes are often anticipated based on several hints from macroscopic experimental data. Computational biochemistry aims at creation of a computational model of an enzyme in order to explain microscopic details of the catalytic process and reproduce or predict macroscopic experimental findings. Results of such computations are in part complementary to experimental data and provide an explanation of a biochemical process at the microscopic level. In order to evaluate the mechanism of an enzyme, a structural model is constructed which can be analyzed by several theoretical approaches. Several simulation methods can and should be combined to get a reliable picture of the process of interest. Furthermore, abstract models of biological systems can be constructed combining computational and experimental data. In this review, we discuss structural computational models of enzymatic systems. We first discuss various models to simulate enzyme catalysis. Furthermore, we review various approaches how to characterize the enzyme mechanism both qualitatively and quantitatively using different modeling approaches. © 2017 Elsevier Inc. All rights reserved.

Application of supercomputers to computational aerodynamics

NASA Technical Reports Server (NTRS)

Peterson, V. L.

1984-01-01

Computers are playing an increasingly important role in the field of aerodynamics such that they now serve as a major complement to wind tunnels in aerospace research and development. Factors pacing advances in computational aerodynamics are identified, including the amount of computational power required to take the next major step in the discipline. Example results obtained from the successively refined forms of the governing equations are discussed, both in the context of levels of computer power required and the degree to which they either further the frontiers of research or apply to problems of practical importance. Finally, the Numerical Aerodynamic Simulation (NAS) Program - with its 1988 target of achieving a sustained computational rate of 1 billion floating point operations per second and operating with a memory of 240 million words - is discussed in terms of its goals and its projected effect on the future of computational aerodynamics.

Basic study on a lower-energy defibrillation method using computer simulation and cultured myocardial cell models.

PubMed

Yaguchi, A; Nagase, K; Ishikawa, M; Iwasaka, T; Odagaki, M; Hosaka, H

2006-01-01

Computer simulation and myocardial cell models were used to evaluate a low-energy defibrillation technique. A generated spiral wave, considered to be a mechanism of fibrillation, and fibrillation were investigated using two myocardial sheet models: a two-dimensional computer simulation model and a two-dimensional experimental model. A new defibrillation technique that has few side effects, which are induced by the current passing into the patient's body, on cardiac muscle is desired. The purpose of the present study is to conduct a basic investigation into an efficient defibrillation method. In order to evaluate the defibrillation method, the propagation of excitation in the myocardial sheet is measured during the normal state and during fibrillation, respectively. The advantages of the low-energy defibrillation technique are then discussed based on the stimulation timing.

Computational Fluid Dynamics and Additive Manufacturing to Diagnose and Treat Cardiovascular Disease.

PubMed

Randles, Amanda; Frakes, David H; Leopold, Jane A

2017-11-01

Noninvasive engineering models are now being used for diagnosing and planning the treatment of cardiovascular disease. Techniques in computational modeling and additive manufacturing have matured concurrently, and results from simulations can inform and enable the design and optimization of therapeutic devices and treatment strategies. The emerging synergy between large-scale simulations and 3D printing is having a two-fold benefit: first, 3D printing can be used to validate the complex simulations, and second, the flow models can be used to improve treatment planning for cardiovascular disease. In this review, we summarize and discuss recent methods and findings for leveraging advances in both additive manufacturing and patient-specific computational modeling, with an emphasis on new directions in these fields and remaining open questions. Copyright © 2017 Elsevier Ltd. All rights reserved.

Tools for 3D scientific visualization in computational aerodynamics at NASA Ames Research Center

NASA Technical Reports Server (NTRS)

Bancroft, Gordon; Plessel, Todd; Merritt, Fergus; Watson, Val

1989-01-01

Hardware, software, and techniques used by the Fluid Dynamics Division (NASA) for performing visualization of computational aerodynamics, which can be applied to the visualization of flow fields from computer simulations of fluid dynamics about the Space Shuttle, are discussed. Three visualization techniques applied, post-processing, tracking, and steering, are described, as well as the post-processing software packages used, PLOT3D, SURF (Surface Modeller), GAS (Graphical Animation System), and FAST (Flow Analysis software Toolkit). Using post-processing methods a flow simulation was executed on a supercomputer and, after the simulation was complete, the results were processed for viewing. It is shown that the high-resolution, high-performance three-dimensional workstation combined with specially developed display and animation software provides a good tool for analyzing flow field solutions obtained from supercomputers.

Using Palm Technology in Participatory Simulations of Complex Systems: A New Take on Ubiquitous and Accessible Mobile Computing

NASA Astrophysics Data System (ADS)

Klopfer, Eric; Yoon, Susan; Perry, Judy

2005-09-01

This paper reports on teachers' perceptions of the educational affordances of a handheld application called Participatory Simulations. It presents evidence from five cases representing each of the populations who work with these computational tools. Evidence across multiple data sources yield similar results to previous research evaluations of handheld activities with respect to enhancing motivation, engagement and self-directed learning. Three additional themes are discussed that provide insight into understanding curricular applicability of Participatory Simulations that suggest a new take on ubiquitous and accessible mobile computing. These themes generally point to the multiple layers of social and cognitive flexibility intrinsic to their design: ease of adaptation to subject-matter content knowledge and curricular integration; facility in attending to teacher-individualized goals; and encouraging the adoption of learner-centered strategies.

Spiking network simulation code for petascale computers.

PubMed

Kunkel, Susanne; Schmidt, Maximilian; Eppler, Jochen M; Plesser, Hans E; Masumoto, Gen; Igarashi, Jun; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus; Helias, Moritz

2014-01-01

Brain-scale networks exhibit a breathtaking heterogeneity in the dynamical properties and parameters of their constituents. At cellular resolution, the entities of theory are neurons and synapses and over the past decade researchers have learned to manage the heterogeneity of neurons and synapses with efficient data structures. Already early parallel simulation codes stored synapses in a distributed fashion such that a synapse solely consumes memory on the compute node harboring the target neuron. As petaflop computers with some 100,000 nodes become increasingly available for neuroscience, new challenges arise for neuronal network simulation software: Each neuron contacts on the order of 10,000 other neurons and thus has targets only on a fraction of all compute nodes; furthermore, for any given source neuron, at most a single synapse is typically created on any compute node. From the viewpoint of an individual compute node, the heterogeneity in the synaptic target lists thus collapses along two dimensions: the dimension of the types of synapses and the dimension of the number of synapses of a given type. Here we present a data structure taking advantage of this double collapse using metaprogramming techniques. After introducing the relevant scaling scenario for brain-scale simulations, we quantitatively discuss the performance on two supercomputers. We show that the novel architecture scales to the largest petascale supercomputers available today.

Spiking network simulation code for petascale computers

PubMed Central

Kunkel, Susanne; Schmidt, Maximilian; Eppler, Jochen M.; Plesser, Hans E.; Masumoto, Gen; Igarashi, Jun; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus; Helias, Moritz

2014-01-01

Brain-scale networks exhibit a breathtaking heterogeneity in the dynamical properties and parameters of their constituents. At cellular resolution, the entities of theory are neurons and synapses and over the past decade researchers have learned to manage the heterogeneity of neurons and synapses with efficient data structures. Already early parallel simulation codes stored synapses in a distributed fashion such that a synapse solely consumes memory on the compute node harboring the target neuron. As petaflop computers with some 100,000 nodes become increasingly available for neuroscience, new challenges arise for neuronal network simulation software: Each neuron contacts on the order of 10,000 other neurons and thus has targets only on a fraction of all compute nodes; furthermore, for any given source neuron, at most a single synapse is typically created on any compute node. From the viewpoint of an individual compute node, the heterogeneity in the synaptic target lists thus collapses along two dimensions: the dimension of the types of synapses and the dimension of the number of synapses of a given type. Here we present a data structure taking advantage of this double collapse using metaprogramming techniques. After introducing the relevant scaling scenario for brain-scale simulations, we quantitatively discuss the performance on two supercomputers. We show that the novel architecture scales to the largest petascale supercomputers available today. PMID:25346682

QM/MM free energy simulations: recent progress and challenges

PubMed Central

Lu, Xiya; Fang, Dong; Ito, Shingo; Okamoto, Yuko; Ovchinnikov, Victor

2016-01-01

Due to the higher computational cost relative to pure molecular mechanical (MM) simulations, hybrid quantum mechanical/molecular mechanical (QM/MM) free energy simulations particularly require a careful consideration of balancing computational cost and accuracy. Here we review several recent developments in free energy methods most relevant to QM/MM simulations and discuss several topics motivated by these developments using simple but informative examples that involve processes in water. For chemical reactions, we highlight the value of invoking enhanced sampling technique (e.g., replica-exchange) in umbrella sampling calculations and the value of including collective environmental variables (e.g., hydration level) in metadynamics simulations; we also illustrate the sensitivity of string calculations, especially free energy along the path, to various parameters in the computation. Alchemical free energy simulations with a specific thermodynamic cycle are used to probe the effect of including the first solvation shell into the QM region when computing solvation free energies. For cases where high-level QM/MM potential functions are needed, we analyze two different approaches: the QM/MM-MFEP method of Yang and co-workers and perturbative correction to low-level QM/MM free energy results. For the examples analyzed here, both approaches seem productive although care needs to be exercised when analyzing the perturbative corrections. PMID:27563170

Development of process control capability through the Browns Ferry Integrated Computer System using Reactor Water Clanup System as an example. Final report

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

Smith, J.; Mowrey, J.

1995-12-01

This report describes the design, development and testing of process controls for selected system operations in the Browns Ferry Nuclear Plant (BFNP) Reactor Water Cleanup System (RWCU) using a Computer Simulation Platform which simulates the RWCU System and the BFNP Integrated Computer System (ICS). This system was designed to demonstrate the feasibility of the soft control (video touch screen) of nuclear plant systems through an operator console. The BFNP Integrated Computer System, which has recently. been installed at BFNP Unit 2, was simulated to allow for operator control functions of the modeled RWCU system. The BFNP Unit 2 RWCU systemmore » was simulated using the RELAP5 Thermal/Hydraulic Simulation Model, which provided the steady-state and transient RWCU process variables and simulated the response of the system to control system inputs. Descriptions of the hardware and software developed are also included in this report. The testing and acceptance program and results are also detailed in this report. A discussion of potential installation of an actual RWCU process control system in BFNP Unit 2 is included. Finally, this report contains a section on industry issues associated with installation of process control systems in nuclear power plants.« less

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)

Geological terrain models

NASA Technical Reports Server (NTRS)

Kaupp, V. H.; Macdonald, H. C.; Waite, W. P.

1981-01-01

The initial phase of a program to determine the best interpretation strategy and sensor configuration for a radar remote sensing system for geologic applications is discussed. In this phase, terrain modeling and radar image simulation were used to perform parametric sensitivity studies. A relatively simple computer-generated terrain model is presented, and the data base, backscatter file, and transfer function for digital image simulation are described. Sets of images are presented that simulate the results obtained with an X-band radar from an altitude of 800 km and at three different terrain-illumination angles. The simulations include power maps, slant-range images, ground-range images, and ground-range images with statistical noise incorporated. It is concluded that digital image simulation and computer modeling provide cost-effective methods for evaluating terrain variations and sensor parameter changes, for predicting results, and for defining optimum sensor parameters.

Simulating the X-Ray Image Contrast to Set-Up Techniques with Desired Flaw Detectability

NASA Technical Reports Server (NTRS)

Koshti, Ajay M.

2015-01-01

The paper provides simulation data of previous work by the author in developing a model for estimating detectability of crack-like flaws in radiography. The methodology is being developed to help in implementation of NASA Special x-ray radiography qualification, but is generically applicable to radiography. The paper describes a method for characterizing X-ray detector resolution for crack detection. Applicability of ASTM E 2737 resolution requirements to the model are also discussed. The paper describes a model for simulating the detector resolution. A computer calculator application, discussed here, also performs predicted contrast and signal-to-noise ratio calculations. Results of various simulation runs in calculating x-ray flaw size parameter and image contrast for varying input parameters such as crack depth, crack width, part thickness, x-ray angle, part-to-detector distance, part-to-source distance, source sizes, and detector sensitivity and resolution are given as 3D surfaces. These results demonstrate effect of the input parameters on the flaw size parameter and the simulated image contrast of the crack. These simulations demonstrate utility of the flaw size parameter model in setting up x-ray techniques that provide desired flaw detectability in radiography. The method is applicable to film radiography, computed radiography, and digital radiography.

Human Visual System as a Double-Slit Single Photon Interference Sensor: A Comparison between Modellistic and Biophysical Tests

PubMed Central

Pizzi, Rita; Wang, Rui; Rossetti, Danilo

2016-01-01

This paper describes a computational approach to the theoretical problems involved in the Young's single-photon double-slit experiment, focusing on a simulation of this experiment in the absence of measuring devices. Specifically, the human visual system is used in place of a photomultiplier or similar apparatus. Beginning with the assumption that the human eye perceives light in the presence of very few photons, we measure human eye performance as a sensor in a double-slit one-photon-at-a-time experimental setup. To interpret the results, we implement a simulation algorithm and compare its results with those of human subjects under identical experimental conditions. In order to evaluate the perceptive parameters exactly, which vary depending on the light conditions and on the subject’s sensitivity, we first review the existing literature on the biophysics of the human eye in the presence of a dim light source, and then use the known values of the experimental variables to set the parameters of the computational simulation. The results of the simulation and their comparison with the experiment involving human subjects are reported and discussed. It is found that, while the computer simulation indicates that the human eye has the capacity to detect the corpuscular nature of photons under these conditions, this was not observed in practice. The possible reasons for the difference between theoretical prediction and experimental results are discussed. PMID:26816029

Implementation of Headtracking and 3D Stereo with Unity and VRPN for Computer Simulations

NASA Technical Reports Server (NTRS)

Noyes, Matthew A.

2013-01-01

This paper explores low-cost hardware and software methods to provide depth cues traditionally absent in monocular displays. The use of a VRPN server in conjunction with a Microsoft Kinect and/or Nintendo Wiimote to provide head tracking information to a Unity application, and NVIDIA 3D Vision for retinal disparity support, is discussed. Methods are suggested to implement this technology with NASA's EDGE simulation graphics package, along with potential caveats. Finally, future applications of this technology to astronaut crew training, particularly when combined with an omnidirectional treadmill for virtual locomotion and NASA's ARGOS system for reduced gravity simulation, are discussed.

Computational chemistry

NASA Technical Reports Server (NTRS)

Arnold, J. O.

1987-01-01

With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

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

NASA Astrophysics Data System (ADS)

Herrick, Gregory Paul

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

Miscellaneous Topics in Computer-Aided Drug Design: Synthetic Accessibility and GPU Computing, and Other Topics.

PubMed

Fukunishi, Yoshifumi; Mashimo, Tadaaki; Misoo, Kiyotaka; Wakabayashi, Yoshinori; Miyaki, Toshiaki; Ohta, Seiji; Nakamura, Mayu; Ikeda, Kazuyoshi

2016-01-01

Computer-aided drug design is still a state-of-the-art process in medicinal chemistry, and the main topics in this field have been extensively studied and well reviewed. These topics include compound databases, ligand-binding pocket prediction, protein-compound docking, virtual screening, target/off-target prediction, physical property prediction, molecular simulation and pharmacokinetics/pharmacodynamics (PK/PD) prediction. Message and Conclusion: However, there are also a number of secondary or miscellaneous topics that have been less well covered. For example, methods for synthesizing and predicting the synthetic accessibility (SA) of designed compounds are important in practical drug development, and hardware/software resources for performing the computations in computer-aided drug design are crucial. Cloud computing and general purpose graphics processing unit (GPGPU) computing have been used in virtual screening and molecular dynamics simulations. Not surprisingly, there is a growing demand for computer systems which combine these resources. In the present review, we summarize and discuss these various topics of drug design.

Miscellaneous Topics in Computer-Aided Drug Design: Synthetic Accessibility and GPU Computing, and Other Topics

PubMed Central

Fukunishi, Yoshifumi; Mashimo, Tadaaki; Misoo, Kiyotaka; Wakabayashi, Yoshinori; Miyaki, Toshiaki; Ohta, Seiji; Nakamura, Mayu; Ikeda, Kazuyoshi

2016-01-01

Abstract: Background Computer-aided drug design is still a state-of-the-art process in medicinal chemistry, and the main topics in this field have been extensively studied and well reviewed. These topics include compound databases, ligand-binding pocket prediction, protein-compound docking, virtual screening, target/off-target prediction, physical property prediction, molecular simulation and pharmacokinetics/pharmacodynamics (PK/PD) prediction. Message and Conclusion: However, there are also a number of secondary or miscellaneous topics that have been less well covered. For example, methods for synthesizing and predicting the synthetic accessibility (SA) of designed compounds are important in practical drug development, and hardware/software resources for performing the computations in computer-aided drug design are crucial. Cloud computing and general purpose graphics processing unit (GPGPU) computing have been used in virtual screening and molecular dynamics simulations. Not surprisingly, there is a growing demand for computer systems which combine these resources. In the present review, we summarize and discuss these various topics of drug design. PMID:27075578

WE-D-303-01: Development and Application of Digital Human Phantoms

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

Segars, P.

2015-06-15

Modern medical physics deals with complex problems such as 4D radiation therapy and imaging quality optimization. Such problems involve a large number of radiological parameters, and anatomical and physiological breathing patterns. A major challenge is how to develop, test, evaluate and compare various new imaging and treatment techniques, which often involves testing over a large range of radiological parameters as well as varying patient anatomies and motions. It would be extremely challenging, if not impossible, both ethically and practically, to test every combination of parameters and every task on every type of patient under clinical conditions. Computer-based simulation using computationalmore » phantoms offers a practical technique with which to evaluate, optimize, and compare imaging technologies and methods. Within simulation, the computerized phantom provides a virtual model of the patient’s anatomy and physiology. Imaging data can be generated from it as if it was a live patient using accurate models of the physics of the imaging and treatment process. With sophisticated simulation algorithms, it is possible to perform virtual experiments entirely on the computer. By serving as virtual patients, computational phantoms hold great promise in solving some of the most complex problems in modern medical physics. In this proposed symposium, we will present the history and recent developments of computational phantom models, share experiences in their application to advanced imaging and radiation applications, and discuss their promises and limitations. Learning Objectives: Understand the need and requirements of computational phantoms in medical physics research Discuss the developments and applications of computational phantoms Know the promises and limitations of computational phantoms in solving complex problems.« less

Parallel Simulation of Unsteady Turbulent Flames

NASA Technical Reports Server (NTRS)

Menon, Suresh

1996-01-01

Time-accurate simulation of turbulent flames in high Reynolds number flows is a challenging task since both fluid dynamics and combustion must be modeled accurately. To numerically simulate this phenomenon, very large computer resources (both time and memory) are required. Although current vector supercomputers are capable of providing adequate resources for simulations of this nature, the high cost and their limited availability, makes practical use of such machines less than satisfactory. At the same time, the explicit time integration algorithms used in unsteady flow simulations often possess a very high degree of parallelism, making them very amenable to efficient implementation on large-scale parallel computers. Under these circumstances, distributed memory parallel computers offer an excellent near-term solution for greatly increased computational speed and memory, at a cost that may render the unsteady simulations of the type discussed above more feasible and affordable.This paper discusses the study of unsteady turbulent flames using a simulation algorithm that is capable of retaining high parallel efficiency on distributed memory parallel architectures. Numerical studies are carried out using large-eddy simulation (LES). In LES, the scales larger than the grid are computed using a time- and space-accurate scheme, while the unresolved small scales are modeled using eddy viscosity based subgrid models. This is acceptable for the moment/energy closure since the small scales primarily provide a dissipative mechanism for the energy transferred from the large scales. However, for combustion to occur, the species must first undergo mixing at the small scales and then come into molecular contact. Therefore, global models cannot be used. Recently, a new model for turbulent combustion was developed, in which the combustion is modeled, within the subgrid (small-scales) using a methodology that simulates the mixing and the molecular transport and the chemical kinetics within each LES grid cell. Finite-rate kinetics can be included without any closure and this approach actually provides a means to predict the turbulent rates and the turbulent flame speed. The subgrid combustion model requires resolution of the local time scales associated with small-scale mixing, molecular diffusion and chemical kinetics and, therefore, within each grid cell, a significant amount of computations must be carried out before the large-scale (LES resolved) effects are incorporated. Therefore, this approach is uniquely suited for parallel processing and has been implemented on various systems such as: Intel Paragon, IBM SP-2, Cray T3D and SGI Power Challenge (PC) using the system independent Message Passing Interface (MPI) compiler. In this paper, timing data on these machines is reported along with some characteristic results.

Building Blocks for Reliable Complex Nonlinear Numerical Simulations

NASA Technical Reports Server (NTRS)

Yee, H. C.; Mansour, Nagi N. (Technical Monitor)

2002-01-01

This talk describes some of the building blocks to ensure a higher level of confidence in the predictability and reliability (PAR) of numerical simulation of multiscale complex nonlinear problems. The focus is on relating PAR of numerical simulations with complex nonlinear phenomena of numerics. To isolate sources of numerical uncertainties, the possible discrepancy between the chosen partial differential equation (PDE) model and the real physics and/or experimental data is set aside. The discussion is restricted to how well numerical schemes can mimic the solution behavior of the underlying PDE model for finite time steps and grid spacings. The situation is complicated by the fact that the available theory for the understanding of nonlinear behavior of numerics is not at a stage to fully analyze the nonlinear Euler and Navier-Stokes equations. The discussion is based on the knowledge gained for nonlinear model problems with known analytical solutions to identify and explain the possible sources and remedies of numerical uncertainties in practical computations. Examples relevant to turbulent flow computations are included.

Building Blocks for Reliable Complex Nonlinear Numerical Simulations. Chapter 2

NASA Technical Reports Server (NTRS)

Yee, H. C.; Mansour, Nagi N. (Technical Monitor)

2001-01-01

This chapter describes some of the building blocks to ensure a higher level of confidence in the predictability and reliability (PAR) of numerical simulation of multiscale complex nonlinear problems. The focus is on relating PAR of numerical simulations with complex nonlinear phenomena of numerics. To isolate sources of numerical uncertainties, the possible discrepancy between the chosen partial differential equation (PDE) model and the real physics and/or experimental data is set aside. The discussion is restricted to how well numerical schemes can mimic the solution behavior of the underlying PDE model for finite time steps and grid spacings. The situation is complicated by the fact that the available theory for the understanding of nonlinear behavior of numerics is not at a stage to fully analyze the nonlinear Euler and Navier-Stokes equations. The discussion is based on the knowledge gained for nonlinear model problems with known analytical solutions to identify and explain the possible sources and remedies of numerical uncertainties in practical computations. Examples relevant to turbulent flow computations are included.

Computation of magnetic suspension of maglev systems using dynamic circuit theory

NASA Technical Reports Server (NTRS)

He, J. L.; Rote, D. M.; Coffey, H. T.

1992-01-01

Dynamic circuit theory is applied to several magnetic suspensions associated with maglev systems. These suspension systems are the loop-shaped coil guideway, the figure-eight-shaped null-flux coil guideway, and the continuous sheet guideway. Mathematical models, which can be used for the development of computer codes, are provided for each of these suspension systems. The differences and similarities of the models in using dynamic circuit theory are discussed in the paper. The paper emphasizes the transient and dynamic analysis and computer simulation of maglev systems. In general, the method discussed here can be applied to many electrodynamic suspension system design concepts. It is also suited for the computation of the performance of maglev propulsion systems. Numerical examples are presented in the paper.

On the Use of Computers for Teaching Fluid Mechanics

NASA Technical Reports Server (NTRS)

Benson, Thomas J.

1994-01-01

Several approaches for improving the teaching of basic fluid mechanics using computers are presented. There are two objectives to these approaches: to increase the involvement of the student in the learning process and to present information to the student in a variety of forms. Items discussed include: the preparation of educational videos using the results of computational fluid dynamics (CFD) calculations, the analysis of CFD flow solutions using workstation based post-processing graphics packages, and the development of workstation or personal computer based simulators which behave like desk top wind tunnels. Examples of these approaches are presented along with observations from working with undergraduate co-ops. Possible problems in the implementation of these approaches as well as solutions to these problems are also discussed.

Computational fluid dynamics uses in fluid dynamics/aerodynamics education

NASA Technical Reports Server (NTRS)

Holst, Terry L.

1994-01-01

The field of computational fluid dynamics (CFD) has advanced to the point where it can now be used for the purpose of fluid dynamics physics education. Because of the tremendous wealth of information available from numerical simulation, certain fundamental concepts can be efficiently communicated using an interactive graphical interrogation of the appropriate numerical simulation data base. In other situations, a large amount of aerodynamic information can be communicated to the student by interactive use of simple CFD tools on a workstation or even in a personal computer environment. The emphasis in this presentation is to discuss ideas for how this process might be implemented. Specific examples, taken from previous publications, will be used to highlight the presentation.

Algodoo: A Tool for Encouraging Creativity in Physics Teaching and Learning

NASA Astrophysics Data System (ADS)

Gregorcic, Bor; Bodin, Madelen

2017-01-01

Algodoo (http://www.algodoo.com) is a digital sandbox for physics 2D simulations. It allows students and teachers to easily create simulated "scenes" and explore physics through a user-friendly and visually attractive interface. In this paper, we present different ways in which students and teachers can use Algodoo to visualize and solve physics problems, investigate phenomena and processes, and engage in out-of-school activities and projects. Algodoo, with its approachable interface, inhabits a middle ground between computer games and "serious" computer modeling. It is suitable as an entry-level modeling tool for students of all ages and can facilitate discussions about the role of computer modeling in physics.

Computer Based Collaborative Problem Solving for Introductory Courses in Physics

NASA Astrophysics Data System (ADS)

Ilie, Carolina; Lee, Kevin

2010-03-01

We discuss collaborative problem solving computer-based recitation style. The course is designed by Lee [1], and the idea was proposed before by Christian, Belloni and Titus [2,3]. The students find the problems on a web-page containing simulations (physlets) and they write the solutions on an accompanying worksheet after discussing it with a classmate. Physlets have the advantage of being much more like real-world problems than textbook problems. We also compare two protocols for web-based instruction using simulations in an introductory physics class [1]. The inquiry protocol allowed students to control input parameters while the worked example protocol did not. We will discuss which of the two methods is more efficient in relation to Scientific Discovery Learning and Cognitive Load Theory. 1. Lee, Kevin M., Nicoll, Gayle and Brooks, Dave W. (2004). ``A Comparison of Inquiry and Worked Example Web-Based Instruction Using Physlets'', Journal of Science Education and Technology 13, No. 1: 81-88. 2. Christian, W., and Belloni, M. (2001). Physlets: Teaching Physics With Interactive Curricular Material, Prentice Hall, Englewood Cliffs, NJ. 3. Christian,W., and Titus,A. (1998). ``Developing web-based curricula using Java Physlets.'' Computers in Physics 12: 227--232.

Development of an autonomous video rendezous and docking system

NASA Technical Reports Server (NTRS)

Tietz, J. C.; Kelly, J. H.

1982-01-01

Video control systems using three flashing lights and two other types of docking aids were evaluated through computer simulation and other approaches. The three light system performed much better than the others. Its accuracy is affected little by tumbling of the target spacecraft, and in the simulations it was able to cope with attitude rates up to 20,000 degrees per hour about the docking axis. Its performance with rotation about other axes is determined primarily by the state estimation and goal setting portions of the control system, not by measurement accuracy. A suitable control system, and a computer program that can serve as the basis for the physical simulation are discussed.

Software Development Processes Applied to Computational Icing Simulation

NASA Technical Reports Server (NTRS)

Levinson, Laurie H.; Potapezuk, Mark G.; Mellor, Pamela A.

1999-01-01

The development of computational icing simulation methods is making the transition form the research to common place use in design and certification efforts. As such, standards of code management, design validation, and documentation must be adjusted to accommodate the increased expectations of the user community with respect to accuracy, reliability, capability, and usability. This paper discusses these concepts with regard to current and future icing simulation code development efforts as implemented by the Icing Branch of the NASA Lewis Research Center in collaboration with the NASA Lewis Engineering Design and Analysis Division. With the application of the techniques outlined in this paper, the LEWICE ice accretion code has become a more stable and reliable software product.

Crowding in Cellular Environments at an Atomistic Level from Computer Simulations

PubMed Central

2017-01-01

The effects of crowding in biological environments on biomolecular structure, dynamics, and function remain not well understood. Computer simulations of atomistic models of concentrated peptide and protein systems at different levels of complexity are beginning to provide new insights. Crowding, weak interactions with other macromolecules and metabolites, and altered solvent properties within cellular environments appear to remodel the energy landscape of peptides and proteins in significant ways including the possibility of native state destabilization. Crowding is also seen to affect dynamic properties, both conformational dynamics and diffusional properties of macromolecules. Recent simulations that address these questions are reviewed here and discussed in the context of relevant experiments. PMID:28666087

Advances in computer simulation of genome evolution: toward more realistic evolutionary genomics analysis by approximate bayesian computation.

PubMed

Arenas, Miguel

2015-04-01

NGS technologies present a fast and cheap generation of genomic data. Nevertheless, ancestral genome inference is not so straightforward due to complex evolutionary processes acting on this material such as inversions, translocations, and other genome rearrangements that, in addition to their implicit complexity, can co-occur and confound ancestral inferences. Recently, models of genome evolution that accommodate such complex genomic events are emerging. This letter explores these novel evolutionary models and proposes their incorporation into robust statistical approaches based on computer simulations, such as approximate Bayesian computation, that may produce a more realistic evolutionary analysis of genomic data. Advantages and pitfalls in using these analytical methods are discussed. Potential applications of these ancestral genomic inferences are also pointed out.

Telescope Multi-Field Wavefront Control with a Kalman Filter

NASA Technical Reports Server (NTRS)

Lou, John Z.; Redding, David; Sigrist, Norbert; Basinger, Scott

2008-01-01

An effective multi-field wavefront control (WFC) approach is demonstrated for an actuated, segmented space telescope using wavefront measurements at the exit pupil, and the optical and computational implications of this approach are discussed. The integration of a Kalman Filter as an optical state estimator into the wavefront control process to further improve the robustness of the optical alignment of the telescope will also be discussed. Through a comparison of WFC performances between on-orbit and ground-test optical system configurations, the connection (and a possible disconnection) between WFC and optical system alignment under these circumstances are analyzed. Our MACOS-based computer simulation results will be presented and discussed.

Physics of epi-thermal boron neutron capture therapy (epi-thermal BNCT).

PubMed

Seki, Ryoichi; Wakisaka, Yushi; Morimoto, Nami; Takashina, Masaaki; Koizumi, Masahiko; Toki, Hiroshi; Fukuda, Mitsuhiro

2017-12-01

The physics of epi-thermal neutrons in the human body is discussed in the effort to clarify the nature of the unique radiologic properties of boron neutron capture therapy (BNCT). This discussion leads to the computational method of Monte Carlo simulation in BNCT. The method is discussed through two examples based on model phantoms. The physics is kept at an introductory level in the discussion in this tutorial review.

Simulation in Metallurgical Processing: Recent Developments and Future Perspectives

NASA Astrophysics Data System (ADS)

Ludwig, Andreas; Wu, Menghuai; Kharicha, Abdellah

2016-08-01

This article briefly addresses the most important topics concerning numerical simulation of metallurgical processes, namely, multiphase issues (particle and bubble motion and flotation/sedimentation of equiaxed crystals during solidification), multiphysics issues (electromagnetic stirring, electro-slag remelting, Cu-electro-refining, fluid-structure interaction, and mushy zone deformation), process simulations on graphical processing units, integrated computational materials engineering, and automatic optimization via simulation. The present state-of-the-art as well as requirements for future developments are presented and briefly discussed.

The use of computers for perioperative simulation in anesthesia, critical care, and pain medicine.

PubMed

Lambden, Simon; Martin, Bruce

2011-09-01

Simulation in perioperative anesthesia training is a field of considerable interest, with an urgent need for tools that reliably train and facilitate objective assessment of performance. This article reviews the available simulation technologies, their evolution, and the current evidence base for their use. The future directions for research in the field and potential applications of simulation technology in anesthesia, critical care, and pain medicine are discussed. Copyright © 2011 Elsevier Inc. All rights reserved.

The Simulation of a Jumbo Jet Transport Aircraft. Volume 2: Modeling Data

NASA Technical Reports Server (NTRS)

Hanke, C. R.; Nordwall, D. R.

1970-01-01

The manned simulation of a large transport aircraft is described. Aircraft and systems data necessary to implement the mathematical model described in Volume I and a discussion of how these data are used in model are presented. The results of the real-time computations in the NASA Ames Research Center Flight Simulator for Advanced Aircraft are shown and compared to flight test data and to the results obtained in a training simulator known to be satisfactory.

Comments on ``Use of conditional simulation in nuclear waste site performance assessment`` by Carol Gotway

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

Downing, D.J.

1993-10-01

This paper discusses Carol Gotway`s paper, ``The Use of Conditional Simulation in Nuclear Waste Site Performance Assessment.`` The paper centers on the use of conditional simulation and the use of geostatistical methods to simulate an entire field of values for subsequent use in a complex computer model. The issues of sampling designs for geostatistics, semivariogram estimation and anisotropy, turning bands method for random field generation, and estimation of the comulative distribution function are brought out.

The Erector Set Computer: Building a Virtual Workstation over a Large Multi-Vendor Network.

ERIC Educational Resources Information Center

Farago, John M.

1989-01-01

Describes a computer network developed at the City University of New York Law School that uses device sharing and local area networking to create a simulated law office. Topics discussed include working within a multi-vendor environment, and the communication, information, and database access services available through the network. (CLB)

Automated Boundary Conditions for Wind Tunnel Simulations

NASA Technical Reports Server (NTRS)

Carlson, Jan-Renee

2018-01-01

Computational fluid dynamic (CFD) simulations of models tested in wind tunnels require a high level of fidelity and accuracy particularly for the purposes of CFD validation efforts. Considerable effort is required to ensure the proper characterization of both the physical geometry of the wind tunnel and recreating the correct flow conditions inside the wind tunnel. The typical trial-and-error effort used for determining the boundary condition values for a particular tunnel configuration are time and computer resource intensive. This paper describes a method for calculating and updating the back pressure boundary condition in wind tunnel simulations by using a proportional-integral-derivative controller. The controller methodology and equations are discussed, and simulations using the controller to set a tunnel Mach number in the NASA Langley 14- by 22-Foot Subsonic Tunnel are demonstrated.

First-principles simulations of heat transport

NASA Astrophysics Data System (ADS)

Puligheddu, Marcello; Gygi, Francois; Galli, Giulia

2017-11-01

Advances in understanding heat transport in solids were recently reported by both experiment and theory. However an efficient and predictive quantum simulation framework to investigate thermal properties of solids, with the same complexity as classical simulations, has not yet been developed. Here we present a method to compute the thermal conductivity of solids by performing ab initio molecular dynamics at close to equilibrium conditions, which only requires calculations of first-principles trajectories and atomic forces, thus avoiding direct computation of heat currents and energy densities. In addition the method requires much shorter sequential simulation times than ordinary molecular dynamics techniques, making it applicable within density functional theory. We discuss results for a representative oxide, MgO, at different temperatures and for ordered and nanostructured morphologies, showing the performance of the method in different conditions.

Flight Simulator: Use of SpaceGraph Display in an Instructor/Operator Station. Final Report.

ERIC Educational Resources Information Center

Sher, Lawrence D.

This report describes SpaceGraph, a new computer-driven display technology capable of showing space-filling images, i.e., true three dimensional displays, and discusses the advantages of this technology over flat displays for use with the instructor/operator station (IOS) of a flight simulator. Ideas resulting from 17 brainstorming sessions with…

Numerical convergence improvements for porflow unsaturated flow simulations

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

Flach, Greg

2017-08-14

Section 3.6 of SRNL (2016) discusses various PORFLOW code improvements to increase modeling efficiency, in preparation for the next E-Area Performance Assessment (WSRC 2008) revision. This memorandum documents interaction with Analytic & Computational Research, Inc. (http://www.acricfd.com/default.htm) to improve numerical convergence efficiency using PORFLOW version 6.42 for unsaturated flow simulations.

Temperature control simulation for a microwave transmitter cooling system. [deep space network

NASA Technical Reports Server (NTRS)

Yung, C. S.

1980-01-01

The thermal performance of a temperature control system for the antenna microwave transmitter (klystron tube) of the Deep Space Network antenna tracking system is discussed. In particular the mathematical model is presented along with the details of a computer program which is written for the system simulation and the performance parameterization. Analytical expressions are presented.

Measurements and Computations of Flow in an Urban Street System

NASA Astrophysics Data System (ADS)

Castro, Ian P.; Xie, Zheng-Tong; Fuka, V.; Robins, Alan G.; Carpentieri, M.; Hayden, P.; Hertwig, D.; Coceal, O.

2017-02-01

We present results from laboratory and computational experiments on the turbulent flow over an array of rectangular blocks modelling a typical, asymmetric urban canopy at various orientations to the approach flow. The work forms part of a larger study on dispersion within such arrays (project DIPLOS) and concentrates on the nature of the mean flow and turbulence fields within the canopy region, recognising that unless the flow field is adequately represented in computational models there is no reason to expect realistic simulations of the nature of the dispersion of pollutants emitted within the canopy. Comparisons between the experimental data and those obtained from both large-eddy simulation (LES) and direct numerical simulation (DNS) are shown and it is concluded that careful use of LES can produce generally excellent agreement with laboratory and DNS results, lending further confidence in the use of LES for such situations. Various crucial issues are discussed and advice offered to both experimentalists and those seeking to compute canopy flows with turbulence resolving models.

Exploiting the On-Campus Boiler House.

ERIC Educational Resources Information Center

Woods, Donald R.; And Others

1986-01-01

Shows how a university utility building ("boiler house") is used in a chemical engineering course for computer simulations, mathematical modeling and process problem exercises. Student projects involving the facility are also discussed. (JN)

Quantum-assisted biomolecular modelling.

PubMed

Harris, Sarah A; Kendon, Vivien M

2010-08-13

Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not, in general, applicable to soft, chemically inhomogeneous systems. The configurational complexity of biomolecules means the entropic contribution to the free energy is a significant factor in their behaviour, requiring detailed dynamical calculations to fully evaluate. Computer simulations capable of taking all interatomic interactions into account are therefore vital. However, even with the best current supercomputing facilities, we are unable to capture enough of the most interesting aspects of their behaviour to properly understand how they work. This limits our ability to design new molecules, to treat diseases, for example. Progress in biomolecular simulation depends crucially on increasing the computing power available. Faster classical computers are in the pipeline, but these provide only incremental improvements. Quantum computing offers the possibility of performing huge numbers of calculations in parallel, when it becomes available. We discuss the current open questions in biomolecular simulation, how these might be addressed using quantum computation and speculate on the future importance of quantum-assisted biomolecular modelling.

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.

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.

NASA Aeronautics: Research and Technology Program Highlights

NASA Technical Reports Server (NTRS)

1990-01-01

This report contains numerous color illustrations to describe the NASA programs in aeronautics. The basic ideas involved are explained in brief paragraphs. The seven chapters deal with Subsonic aircraft, High-speed transport, High-performance military aircraft, Hypersonic/Transatmospheric vehicles, Critical disciplines, National facilities and Organizations & installations. Some individual aircraft discussed are : the SR-71 aircraft, aerospace planes, the high-speed civil transport (HSCT), the X-29 forward-swept wing research aircraft, and the X-31 aircraft. Critical disciplines discussed are numerical aerodynamic simulation, computational fluid dynamics, computational structural dynamics and new experimental testing techniques.

High Performance Parallel Computational Nanotechnology

NASA Technical Reports Server (NTRS)

Saini, Subhash; Craw, James M. (Technical Monitor)

1995-01-01

At a recent press conference, NASA Administrator Dan Goldin encouraged NASA Ames Research Center to take a lead role in promoting research and development of advanced, high-performance computer technology, including nanotechnology. Manufacturers of leading-edge microprocessors currently perform large-scale simulations in the design and verification of semiconductor devices and microprocessors. Recently, the need for this intensive simulation and modeling analysis has greatly increased, due in part to the ever-increasing complexity of these devices, as well as the lessons of experiences such as the Pentium fiasco. Simulation, modeling, testing, and validation will be even more important for designing molecular computers because of the complex specification of millions of atoms, thousands of assembly steps, as well as the simulation and modeling needed to ensure reliable, robust and efficient fabrication of the molecular devices. The software for this capacity does not exist today, but it can be extrapolated from the software currently used in molecular modeling for other applications: semi-empirical methods, ab initio methods, self-consistent field methods, Hartree-Fock methods, molecular mechanics; and simulation methods for diamondoid structures. In as much as it seems clear that the application of such methods in nanotechnology will require powerful, highly powerful systems, this talk will discuss techniques and issues for performing these types of computations on parallel systems. We will describe system design issues (memory, I/O, mass storage, operating system requirements, special user interface issues, interconnects, bandwidths, and programming languages) involved in parallel methods for scalable classical, semiclassical, quantum, molecular mechanics, and continuum models; molecular nanotechnology computer-aided designs (NanoCAD) techniques; visualization using virtual reality techniques of structural models and assembly sequences; software required to control mini robotic manipulators for positional control; scalable numerical algorithms for reliability, verifications and testability. There appears no fundamental obstacle to simulating molecular compilers and molecular computers on high performance parallel computers, just as the Boeing 777 was simulated on a computer before manufacturing it.

Development of computational small animal models and their applications in preclinical imaging and therapy research

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

Xie, Tianwu; Zaidi, Habib, E-mail: habib.zaidi@hcuge.ch; Geneva Neuroscience Center, Geneva University, Geneva CH-1205

The development of multimodality preclinical imaging techniques and the rapid growth of realistic computer simulation tools have promoted the construction and application of computational laboratory animal models in preclinical research. Since the early 1990s, over 120 realistic computational animal models have been reported in the literature and used as surrogates to characterize the anatomy of actual animals for the simulation of preclinical studies involving the use of bioluminescence tomography, fluorescence molecular tomography, positron emission tomography, single-photon emission computed tomography, microcomputed tomography, magnetic resonance imaging, and optical imaging. Other applications include electromagnetic field simulation, ionizing and nonionizing radiation dosimetry, and themore » development and evaluation of new methodologies for multimodality image coregistration, segmentation, and reconstruction of small animal images. This paper provides a comprehensive review of the history and fundamental technologies used for the development of computational small animal models with a particular focus on their application in preclinical imaging as well as nonionizing and ionizing radiation dosimetry calculations. An overview of the overall process involved in the design of these models, including the fundamental elements used for the construction of different types of computational models, the identification of original anatomical data, the simulation tools used for solving various computational problems, and the applications of computational animal models in preclinical research. The authors also analyze the characteristics of categories of computational models (stylized, voxel-based, and boundary representation) and discuss the technical challenges faced at the present time as well as research needs in the future.« less

Computational methods for 2D materials: discovery, property characterization, and application design.

PubMed

Paul, J T; Singh, A K; Dong, Z; Zhuang, H; Revard, B C; Rijal, B; Ashton, M; Linscheid, A; Blonsky, M; Gluhovic, D; Guo, J; Hennig, R G

2017-11-29

The discovery of two-dimensional (2D) materials comes at a time when computational methods are mature and can predict novel 2D materials, characterize their properties, and guide the design of 2D materials for applications. This article reviews the recent progress in computational approaches for 2D materials research. We discuss the computational techniques and provide an overview of the ongoing research in the field. We begin with an overview of known 2D materials, common computational methods, and available cyber infrastructures. We then move onto the discovery of novel 2D materials, discussing the stability criteria for 2D materials, computational methods for structure prediction, and interactions of monolayers with electrochemical and gaseous environments. Next, we describe the computational characterization of the 2D materials' electronic, optical, magnetic, and superconducting properties and the response of the properties under applied mechanical strain and electrical fields. From there, we move on to discuss the structure and properties of defects in 2D materials, and describe methods for 2D materials device simulations. We conclude by providing an outlook on the needs and challenges for future developments in the field of computational research for 2D materials.

Computational methods for 2D materials: discovery, property characterization, and application design

NASA Astrophysics Data System (ADS)

Paul, J. T.; Singh, A. K.; Dong, Z.; Zhuang, H.; Revard, B. C.; Rijal, B.; Ashton, M.; Linscheid, A.; Blonsky, M.; Gluhovic, D.; Guo, J.; Hennig, R. G.

2017-11-01

The discovery of two-dimensional (2D) materials comes at a time when computational methods are mature and can predict novel 2D materials, characterize their properties, and guide the design of 2D materials for applications. This article reviews the recent progress in computational approaches for 2D materials research. We discuss the computational techniques and provide an overview of the ongoing research in the field. We begin with an overview of known 2D materials, common computational methods, and available cyber infrastructures. We then move onto the discovery of novel 2D materials, discussing the stability criteria for 2D materials, computational methods for structure prediction, and interactions of monolayers with electrochemical and gaseous environments. Next, we describe the computational characterization of the 2D materials’ electronic, optical, magnetic, and superconducting properties and the response of the properties under applied mechanical strain and electrical fields. From there, we move on to discuss the structure and properties of defects in 2D materials, and describe methods for 2D materials device simulations. We conclude by providing an outlook on the needs and challenges for future developments in the field of computational research for 2D materials.

Synchronization of autonomous objects in discrete event simulation

NASA Technical Reports Server (NTRS)

Rogers, Ralph V.

1990-01-01

Autonomous objects in event-driven discrete event simulation offer the potential to combine the freedom of unrestricted movement and positional accuracy through Euclidean space of time-driven models with the computational efficiency of event-driven simulation. The principal challenge to autonomous object implementation is object synchronization. The concept of a spatial blackboard is offered as a potential methodology for synchronization. The issues facing implementation of a spatial blackboard are outlined and discussed.

Computer-assisted learning and simulation systems in dentistry--a challenge to society.

PubMed

Welk, A; Splieth, Ch; Wierinck, E; Gilpatrick, R O; Meyer, G

2006-07-01

Computer technology is increasingly used in practical training at universities. However, in spite of their potential, computer-assisted learning (CAL) and computer-assisted simulation (CAS) systems still appear to be underutilized in dental education. Advantages, challenges, problems, and solutions of computer-assisted learning and simulation in dentistry are discussed by means of MEDLINE, open Internet platform searches, and key results of a study among German dental schools. The advantages of computer-assisted learning are seen for example in self-paced and self-directed learning and increased motivation. It is useful for both objective theoretical and practical tests and for training students to handle complex cases. CAL can lead to more structured learning and can support training in evidence-based decision-making. The reasons for the still relatively rare implementation of CAL/CAS systems in dental education include an inability to finance, lack of studies of CAL/CAS, and too much effort required to integrate CAL/CAS systems into the curriculum. To overcome the reasons for the relative low degree of computer technology use, we should strive for multicenter research and development projects monitored by the appropriate national and international scientific societies, so that the potential of computer technology can be fully realized in graduate, postgraduate, and continuing dental education.

Monte Carlo simulation of the radiant field produced by a multiple-lamp quartz heating system

NASA Technical Reports Server (NTRS)

Turner, Travis L.

1991-01-01

A method is developed for predicting the radiant heat flux distribution produced by a reflected bank of tungsten-filament tubular-quartz radiant heaters. The method is correlated with experimental results from two cases, one consisting of a single lamp and a flat reflector and the other consisting of a single lamp and a parabolic reflector. The simulation methodology, computer implementation, and experimental procedures are discussed. Analytical refinements necessary for comparison with experiment are discussed and applied to a multilamp, common reflector heating system.

Investigation of the performance characteristics of Doppler radar technique for aircraft collision hazard warning, phase 3

NASA Technical Reports Server (NTRS)

1972-01-01

System studies, equipment simulation, hardware development and flight tests which were conducted during the development of aircraft collision hazard warning system are discussed. The system uses a cooperative, continuous wave Doppler radar principle with pseudo-random frequency modulation. The report presents a description of the system operation and deals at length with the use of pseudo-random coding techniques. In addition, the use of mathematical modeling and computer simulation to determine the alarm statistics and system saturation characteristics in terminal area traffic of variable density is discussed.

Computer graphics and the graphic artist

NASA Technical Reports Server (NTRS)

Taylor, N. L.; Fedors, E. G.; Pinelli, T. E.

1985-01-01

A centralized computer graphics system is being developed at the NASA Langley Research Center. This system was required to satisfy multiuser needs, ranging from presentation quality graphics prepared by a graphic artist to 16-mm movie simulations generated by engineers and scientists. While the major thrust of the central graphics system was directed toward engineering and scientific applications, hardware and software capabilities to support the graphic artists were integrated into the design. This paper briefly discusses the importance of computer graphics in research; the central graphics system in terms of systems, software, and hardware requirements; the application of computer graphics to graphic arts, discussed in terms of the requirements for a graphic arts workstation; and the problems encountered in applying computer graphics to the graphic arts. The paper concludes by presenting the status of the central graphics system.

Computer Modeling and Simulation

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

Pronskikh, V. S.

2014-05-09

Verification and validation of computer codes and models used in simulation are two aspects of the scientific practice of high importance and have recently been discussed by philosophers of science. While verification is predominantly associated with the correctness of the way a model is represented by a computer code or algorithm, validation more often refers to model’s relation to the real world and its intended use. It has been argued that because complex simulations are generally not transparent to a practitioner, the Duhem problem can arise for verification and validation due to their entanglement; such an entanglement makes it impossiblemore » to distinguish whether a coding error or model’s general inadequacy to its target should be blamed in the case of the model failure. I argue that in order to disentangle verification and validation, a clear distinction between computer modeling (construction of mathematical computer models of elementary processes) and simulation (construction of models of composite objects and processes by means of numerical experimenting with them) needs to be made. Holding on to that distinction, I propose to relate verification (based on theoretical strategies such as inferences) to modeling and validation, which shares the common epistemology with experimentation, to simulation. To explain reasons of their intermittent entanglement I propose a weberian ideal-typical model of modeling and simulation as roles in practice. I suggest an approach to alleviate the Duhem problem for verification and validation generally applicable in practice and based on differences in epistemic strategies and scopes« less

Discussion of DNS: Past, Present, and Future

NASA Technical Reports Server (NTRS)

Joslin, Ronald D.

1997-01-01

This paper covers the review, status, and projected future of direct numerical simulation (DNS) methodology relative to the state-of-the-art in computer technology, numerical methods, and the trends in fundamental research programs.

Parallelization of fine-scale computation in Agile Multiscale Modelling Methodology

NASA Astrophysics Data System (ADS)

Macioł, Piotr; Michalik, Kazimierz

2016-10-01

Nowadays, multiscale modelling of material behavior is an extensively developed area. An important obstacle against its wide application is high computational demands. Among others, the parallelization of multiscale computations is a promising solution. Heterogeneous multiscale models are good candidates for parallelization, since communication between sub-models is limited. In this paper, the possibility of parallelization of multiscale models based on Agile Multiscale Methodology framework is discussed. A sequential, FEM based macroscopic model has been combined with concurrently computed fine-scale models, employing a MatCalc thermodynamic simulator. The main issues, being investigated in this work are: (i) the speed-up of multiscale models with special focus on fine-scale computations and (ii) on decreasing the quality of computations enforced by parallel execution. Speed-up has been evaluated on the basis of Amdahl's law equations. The problem of `delay error', rising from the parallel execution of fine scale sub-models, controlled by the sequential macroscopic sub-model is discussed. Some technical aspects of combining third-party commercial modelling software with an in-house multiscale framework and a MPI library are also discussed.

Lagrangian Particle Tracking Simulation for Warm-Rain Processes in Quasi-One-Dimensional Domain

NASA Astrophysics Data System (ADS)

Kunishima, Y.; Onishi, R.

2017-12-01

Conventional cloud simulations are based on the Euler method and compute each microphysics process in a stochastic way assuming infinite numbers of particles within each numerical grid. They therefore cannot provide the Lagrangian statistics of individual particles in cloud microphysics (i.e., aerosol particles, cloud particles, and rain drops) nor discuss the statistical fluctuations due to finite number of particles. We here simulate the entire precipitation process of warm-rain, with tracking individual particles. We use the Lagrangian Cloud Simulator (LCS), which is based on the Euler-Lagrangian framework. In that framework, flow motion and scalar transportation are computed with the Euler method, and particle motion with the Lagrangian one. The LCS tracks particle motions and collision events individually with considering the hydrodynamic interaction between approaching particles with a superposition method, that is, it can directly represent the collisional growth of cloud particles. It is essential for trustworthy collision detection to take account of the hydrodynamic interaction. In this study, we newly developed a stochastic model based on the Twomey cloud condensation nuclei (CCN) activation for the Lagrangian tracking simulation and integrated it into the LCS. Coupling with the Euler computation for water vapour and temperature fields, the initiation and condensational growth of water droplets were computed in the Lagrangian way. We applied the integrated LCS for a kinematic simulation of warm-rain processes in a vertically-elongated domain of, at largest, 0.03×0.03×3000 (m3) with horizontal periodicity. Aerosol particles with a realistic number density, 5×107 (m3), were evenly distributed over the domain at the initial state. Prescribed updraft at the early stage initiated development of a precipitating cloud. We have confirmed that the obtained bulk statistics fairly agree with those from a conventional spectral-bin scheme for a vertical column domain. The centre of the discussion will be the Lagrangian statistics which is collected from the individual behaviour of the tracked particles.

Compressed quantum computation using a remote five-qubit quantum computer

NASA Astrophysics Data System (ADS)

Hebenstreit, M.; Alsina, D.; Latorre, J. I.; Kraus, B.

2017-05-01

The notion of compressed quantum computation is employed to simulate the Ising interaction of a one-dimensional chain consisting of n qubits using the universal IBM cloud quantum computer running on log2(n ) qubits. The external field parameter that controls the quantum phase transition of this model translates into particular settings of the quantum gates that generate the circuit. We measure the magnetization, which displays the quantum phase transition, on a two-qubit system, which simulates a four-qubit Ising chain, and show its agreement with the theoretical prediction within a certain error. We also discuss the relevant point of how to assess errors when using a cloud quantum computer with a limited amount of runs. As a solution, we propose to use validating circuits, that is, to run independent controlled quantum circuits of similar complexity to the circuit of interest.

A real-time, dual processor simulation of the rotor system research aircraft

NASA Technical Reports Server (NTRS)

Mackie, D. B.; Alderete, T. S.

1977-01-01

A real-time, man-in-the loop, simulation of the rotor system research aircraft (RSRA) was conducted. The unique feature of this simulation was that two digital computers were used in parallel to solve the equations of the RSRA mathematical model. The design, development, and implementation of the simulation are documented. Program validation was discussed, and examples of data recordings are given. This simulation provided an important research tool for the RSRA project in terms of safe and cost-effective design analysis. In addition, valuable knowledge concerning parallel processing and a powerful simulation hardware and software system was gained.

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.

Spore: Spawning Evolutionary Misconceptions?

NASA Astrophysics Data System (ADS)

Bean, Thomas E.; Sinatra, Gale M.; Schrader, P. G.

2010-10-01

The use of computer simulations as educational tools may afford the means to develop understanding of evolution as a natural, emergent, and decentralized process. However, special consideration of developmental constraints on learning may be necessary when using these technologies. Specifically, the essentialist (biological forms possess an immutable essence), teleological (assignment of purpose to living things and/or parts of living things that may not be purposeful), and intentionality (assumption that events are caused by an intelligent agent) biases may be reinforced through the use of computer simulations, rather than addressed with instruction. We examine the video game Spore for its depiction of evolutionary content and its potential to reinforce these cognitive biases. In particular, we discuss three pedagogical strategies to mitigate weaknesses of Spore and other computer simulations: directly targeting misconceptions through refutational approaches, targeting specific principles of scientific inquiry, and directly addressing issues related to models as cognitive tools.

Investigation of different modeling approaches for computational fluid dynamics simulation of high-pressure rocket combustors

NASA Astrophysics Data System (ADS)

Ivancic, B.; Riedmann, H.; Frey, M.; Knab, O.; Karl, S.; Hannemann, K.

2016-07-01

The paper summarizes technical results and first highlights of the cooperation between DLR and Airbus Defence and Space (DS) within the work package "CFD Modeling of Combustion Chamber Processes" conducted in the frame of the Propulsion 2020 Project. Within the addressed work package, DLR Göttingen and Airbus DS Ottobrunn have identified several test cases where adequate test data are available and which can be used for proper validation of the computational fluid dynamics (CFD) tools. In this paper, the first test case, the Penn State chamber (RCM1), is discussed. Presenting the simulation results from three different tools, it is shown that the test case can be computed properly with steady-state Reynolds-averaged Navier-Stokes (RANS) approaches. The achieved simulation results reproduce the measured wall heat flux as an important validation parameter very well but also reveal some inconsistencies in the test data which are addressed in this paper.

Pain Assessment and Management in Nursing Education Using Computer-based Simulations.

PubMed

Romero-Hall, Enilda

2015-08-01

It is very important for nurses to have a clear understanding of the patient's pain experience and of management strategies. However, a review of the nursing literature shows that one of the main barriers to proper pain management practice is lack of knowledge. Nursing schools are in a unique position to address the gap in pain management knowledge by facilitating the acquisition and use of knowledge by the next generation of nurses. The purpose of this article is to discuss the role of computer-based simulations as a reliable educational technology strategy that can enhance the learning experience of nursing students acquiring pain management knowledge and practice. Computer-based simulations provide a significant number of learning affordances that can help change nursing students' attitudes and behaviors toward and practice of pain assessment and management. Copyright © 2015 American Society for Pain Management Nursing. Published by Elsevier Inc. All rights reserved.

In pursuit of an accurate spatial and temporal model of biomolecules at the atomistic level: a perspective on computer simulation.

PubMed

Gray, Alan; Harlen, Oliver G; Harris, Sarah A; Khalid, Syma; Leung, Yuk Ming; Lonsdale, Richard; Mulholland, Adrian J; Pearson, Arwen R; Read, Daniel J; Richardson, Robin A

2015-01-01

Despite huge advances in the computational techniques available for simulating biomolecules at the quantum-mechanical, atomistic and coarse-grained levels, there is still a widespread perception amongst the experimental community that these calculations are highly specialist and are not generally applicable by researchers outside the theoretical community. In this article, the successes and limitations of biomolecular simulation and the further developments that are likely in the near future are discussed. A brief overview is also provided of the experimental biophysical methods that are commonly used to probe biomolecular structure and dynamics, and the accuracy of the information that can be obtained from each is compared with that from modelling. It is concluded that progress towards an accurate spatial and temporal model of biomacromolecules requires a combination of all of these biophysical techniques, both experimental and computational.

Real time simulation of computer-assisted sequencing of terminal area operations

NASA Technical Reports Server (NTRS)

Dear, R. G.

1981-01-01

A simulation was developed to investigate the utilization of computer assisted decision making for the task of sequencing and scheduling aircraft in a high density terminal area. The simulation incorporates a decision methodology termed Constrained Position Shifting. This methodology accounts for aircraft velocity profiles, routes, and weight classes in dynamically sequencing and scheduling arriving aircraft. A sample demonstration of Constrained Position Shifting is presented where six aircraft types (including both light and heavy aircraft) are sequenced to land at Denver's Stapleton International Airport. A graphical display is utilized and Constrained Position Shifting with a maximum shift of four positions (rearward or forward) is compared to first come, first serve with respect to arrival at the runway. The implementation of computer assisted sequencing and scheduling methodologies is investigated. A time based control concept will be required and design considerations for such a system are discussed.

PREFACE: Proceedings of the 2nd International Conference on Quantum Simulators and Design (Tokyo, Japan, 31 May-3 June 2008) Proceedings of the 2nd International Conference on Quantum Simulators and Design (Tokyo, Japan, 31 May-3 June 2008)

NASA Astrophysics Data System (ADS)

Akai, Hisazumi; Tsuneyuki, Shinji

2009-02-01

This special issue of Journal of Physics: Condensed Matter comprises selected papers from the proceedings of the 2nd International Conference on Quantum Simulators and Design (QSD2008) held in Tokyo, Japan, between 31 May and 3 June 2008. This conference was organized under the auspices of the Development of New Quantum Simulators and Quantum Design Grant-in-Aid for Scientific Research on Priority Areas, Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT). The conference focused on the development of first principles electronic structure calculations and their applications. The aim was to provide an opportunity for discussion on the progress in computational materials design and, in particular, the development of quantum simulators and quantum design. Computational materials design is a computational approach to the development of new materials. The essential ingredient is the use of quantum simulators to design a material that meets a given specification of properties and functionalities. For this to be successful, the quantum simulator should be very reliable and be applicable to systems of realistic size. During the conference, new methods of quantum simulation and quantum design were discussed including methods beyond the local density approximation of density functional theory, order-N methods, methods dealing with excitations and reactions, and the application of these methods to the design of novel materials, devices and systems. The conference provided an international forum for experimental and theoretical researchers to exchange ideas. A total of 220 delegates from eight countries participated in the conference. There were 13 invited talks, ten oral presentations and 120 posters. The 3rd International Conference on Quantum Simulators and Design will be held in Germany in the autumn of 2011.

plasmaFoam: An OpenFOAM framework for computational plasma physics and chemistry

NASA Astrophysics Data System (ADS)

Venkattraman, Ayyaswamy; Verma, Abhishek Kumar

2016-09-01

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

Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments

PubMed Central

Patmanidis, Ilias

2018-01-01

In bionanotechnology, the field of creating functional materials consisting of bio-inspired molecules, the function and shape of a nanostructure only appear through the assembly of many small molecules together. The large number of building blocks required to define a nanostructure combined with the many degrees of freedom in packing small molecules has long precluded molecular simulations, but recent advances in computational hardware as well as software have made classical simulations available to this strongly expanding field. Here, we review the state of the art in simulations of self-assembling bio-inspired supramolecular systems. We will first discuss progress in force fields, simulation protocols and enhanced sampling techniques using recent examples. Secondly, we will focus on efforts to enable the comparison of experimentally accessible observables and computational results. Experimental quantities that can be measured by microscopy, spectroscopy and scattering can be linked to simulation output either directly or indirectly, via quantum mechanical or semi-empirical techniques. Overall, we aim to provide an overview of the various computational approaches to understand not only the molecular architecture of nanostructures, but also the mechanism of their formation. PMID:29688238

Critiquing: A Different Approach to Expert Computer Advice in Medicine

PubMed Central

Miller, Perry L.

1984-01-01

The traditional approach to computer-based advice in medicine has been to design systems which simulate a physician's decision process. This paper describes a different approach to computer advice in medicine: a critiquing approach. A critiquing system first asks how the physician is planning to manage his patient and then critiques that plan, discussing the advantages and disadvantages of the proposed approach, compared to other approaches which might be reasonable or preferred. Several critiquing systems are currently in different stages of implementation. The paper describes these systems and discusses the characteristics which make each domain suitable for critiquing. The critiquing approach may prove especially well-suited in domains where decisions involve a great deal of subjective judgement.

Field programmable gate array-assigned complex-valued computation and its limits

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

Bernard-Schwarz, Maria, E-mail: maria.bernardschwarz@ni.com; Institute of Applied Physics, TU Wien, Wiedner Hauptstrasse 8, 1040 Wien; Zwick, Wolfgang

We discuss how leveraging Field Programmable Gate Array (FPGA) technology as part of a high performance computing platform reduces latency to meet the demanding real time constraints of a quantum optics simulation. Implementations of complex-valued operations using fixed point numeric on a Virtex-5 FPGA compare favorably to more conventional solutions on a central processing unit. Our investigation explores the performance of multiple fixed point options along with a traditional 64 bits floating point version. With this information, the lowest execution times can be estimated. Relative error is examined to ensure simulation accuracy is maintained.

Lightweight, low compression aircraft diesel engine. [converting a spark ignition engine to the diesel cycle

NASA Technical Reports Server (NTRS)

Gaynor, T. L.; Bottrell, M. S.; Eagle, C. D.; Bachle, C. F.

1977-01-01

The feasibility of converting a spark ignition aircraft engine to the diesel cycle was investigated. Procedures necessary for converting a single cylinder GTS10-520 are described as well as a single cylinder diesel engine test program. The modification of the engine for the hot port cooling concept is discussed. A digital computer graphics simulation of a twin engine aircraft incorporating the diesel engine and Hot Fort concept is presented showing some potential gains in aircraft performance. Sample results of the computer program used in the simulation are included.

A New Mirroring Circuit for Power MOS Current Sensing Highly Immune to EMI

PubMed Central

Aiello, Orazio; Fiori, Franco

2013-01-01

This paper deals with the monitoring of power transistor current subjected to radio-frequency interference. In particular, a new current sensor with no connection to the power transistor drain and with improved performance with respect to the existing current-sensing schemes is presented. The operation of the above mentioned current sensor is discussed referring to time-domain computer simulations. The susceptibility of the proposed circuit to radio-frequency interference is evaluated through time-domain computer simulations and the results are compared with those obtained for a conventional integrated current sensor. PMID:23385408

Computational Modeling in Plasma Processing for 300 mm Wafers

NASA Technical Reports Server (NTRS)

Meyyappan, Meyya; Arnold, James O. (Technical Monitor)

1997-01-01

Migration toward 300 mm wafer size has been initiated recently due to process economics and to meet future demands for integrated circuits. A major issue facing the semiconductor community at this juncture is development of suitable processing equipment, for example, plasma processing reactors that can accomodate 300 mm wafers. In this Invited Talk, scaling of reactors will be discussed with the aid of computational fluid dynamics results. We have undertaken reactor simulations using CFD with reactor geometry, pressure, and precursor flow rates as parameters in a systematic investigation. These simulations provide guidelines for scaling up in reactor design.

Computer Aided Drug Design: Success and Limitations.

PubMed

Baig, Mohammad Hassan; Ahmad, Khurshid; Roy, Sudeep; Ashraf, Jalaluddin Mohammad; Adil, Mohd; Siddiqui, Mohammad Haris; Khan, Saif; Kamal, Mohammad Amjad; Provazník, Ivo; Choi, Inho

2016-01-01

Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design. In this article, we discuss the theory behind both methods, as well as their successful applications and limitations. To accomplish this, we reviewed structure based and ligand based virtual screening processes. Molecular dynamics simulation, which has become one of the most influential tool for prediction of the conformation of small molecules and changes in their conformation within the biological target, has also been taken into account. Finally, we discuss the principles and concepts of molecular docking, pharmacophores and other methods used in computer-aided drug design.

Solving Navier-Stokes' equation using Castillo-Grone's mimetic difference operators on GPUs

NASA Astrophysics Data System (ADS)

Abouali, Mohammad; Castillo, Jose

2012-11-01

This paper discusses the performance and the accuracy of Castillo-Grone's (CG) mimetic difference operator in solving the Navier-Stokes' equation in order to simulate oceanic and atmospheric flows. The implementation is further adapted to harness the power of the many computing cores available on the Graphics Processing Units (GPUs) and the speedup is discussed.

COMPUTATIONAL MITRAL VALVE EVALUATION AND POTENTIAL CLINICAL APPLICATIONS

PubMed Central

Chandran, Krishnan B.; Kim, Hyunggun

2014-01-01

The mitral valve (MV) apparatus consists of the two asymmetric leaflets, the saddle-shaped annulus, the chordae tendineae, and the papillary muscles. MV function over the cardiac cycle involves complex interaction between the MV apparatus components for efficient blood circulation. Common diseases of the MV include valvular stenosis, regurgitation, and prolapse. MV repair is the most popular and most reliable surgical treatment for early MV pathology. One of the unsolved problems in MV repair is to predict the optimal repair strategy for each patient. Although experimental studies have provided valuable information to improve repair techniques, computational simulations are increasingly playing an important role in understanding the complex MV dynamics, particularly with the availability of patient-specific real-time imaging modalities. This work presents a review of computational simulation studies of MV function employing finite element (FE) structural analysis and fluid-structure interaction (FSI) approach reported in the literature to date. More recent studies towards potential applications of computational simulation approaches in the assessment of valvular repair techniques and potential pre-surgical planning of repair strategies are also discussed. It is anticipated that further advancements in computational techniques combined with the next generations of clinical imaging modalities will enable physiologically more realistic simulations. Such advancement in imaging and computation will allow for patient-specific, disease-specific, and case-specific MV evaluation and virtual prediction of MV repair. PMID:25134487

Large-scale large eddy simulation of nuclear reactor flows: Issues and perspectives

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

Merzari, Elia; Obabko, Aleks; Fischer, Paul

Numerical simulation has been an intrinsic part of nuclear engineering research since its inception. In recent years a transition is occurring toward predictive, first-principle-based tools such as computational fluid dynamics. Even with the advent of petascale computing, however, such tools still have significant limitations. In the present work some of these issues, and in particular the presence of massive multiscale separation, are discussed, as well as some of the research conducted to mitigate them. Petascale simulations at high fidelity (large eddy simulation/direct numerical simulation) were conducted with the massively parallel spectral element code Nek5000 on a series of representative problems.more » These simulations shed light on the requirements of several types of simulation: (1) axial flow around fuel rods, with particular attention to wall effects; (2) natural convection in the primary vessel; and (3) flow in a rod bundle in the presence of spacing devices. Finally, the focus of the work presented here is on the lessons learned and the requirements to perform these simulations at exascale. Additional physical insight gained from these simulations is also emphasized.« less

Communication interval selection in distributed heterogeneous simulation of large-scale dynamical systems

NASA Astrophysics Data System (ADS)

Lucas, Charles E.; Walters, Eric A.; Jatskevich, Juri; Wasynczuk, Oleg; Lamm, Peter T.

2003-09-01

In this paper, a new technique useful for the numerical simulation of large-scale systems is presented. This approach enables the overall system simulation to be formed by the dynamic interconnection of the various interdependent simulations, each representing a specific component or subsystem such as control, electrical, mechanical, hydraulic, or thermal. Each simulation may be developed separately using possibly different commercial-off-the-shelf simulation programs thereby allowing the most suitable language or tool to be used based on the design/analysis needs. These subsystems communicate the required interface variables at specific time intervals. A discussion concerning the selection of appropriate communication intervals is presented herein. For the purpose of demonstration, this technique is applied to a detailed simulation of a representative aircraft power system, such as that found on the Joint Strike Fighter (JSF). This system is comprised of ten component models each developed using MATLAB/Simulink, EASY5, or ACSL. When the ten component simulations were distributed across just four personal computers (PCs), a greater than 15-fold improvement in simulation speed (compared to the single-computer implementation) was achieved.

Large-scale large eddy simulation of nuclear reactor flows: Issues and perspectives

DOE PAGES

Merzari, Elia; Obabko, Aleks; Fischer, Paul; ...

2016-11-03

Numerical simulation has been an intrinsic part of nuclear engineering research since its inception. In recent years a transition is occurring toward predictive, first-principle-based tools such as computational fluid dynamics. Even with the advent of petascale computing, however, such tools still have significant limitations. In the present work some of these issues, and in particular the presence of massive multiscale separation, are discussed, as well as some of the research conducted to mitigate them. Petascale simulations at high fidelity (large eddy simulation/direct numerical simulation) were conducted with the massively parallel spectral element code Nek5000 on a series of representative problems.more » These simulations shed light on the requirements of several types of simulation: (1) axial flow around fuel rods, with particular attention to wall effects; (2) natural convection in the primary vessel; and (3) flow in a rod bundle in the presence of spacing devices. Finally, the focus of the work presented here is on the lessons learned and the requirements to perform these simulations at exascale. Additional physical insight gained from these simulations is also emphasized.« less

The Development and Comparison of Molecular Dynamics Simulation and Monte Carlo Simulation

NASA Astrophysics Data System (ADS)

Chen, Jundong

2018-03-01

Molecular dynamics is an integrated technology that combines physics, mathematics and chemistry. Molecular dynamics method is a computer simulation experimental method, which is a powerful tool for studying condensed matter system. This technique not only can get the trajectory of the atom, but can also observe the microscopic details of the atomic motion. By studying the numerical integration algorithm in molecular dynamics simulation, we can not only analyze the microstructure, the motion of particles and the image of macroscopic relationship between them and the material, but can also study the relationship between the interaction and the macroscopic properties more conveniently. The Monte Carlo Simulation, similar to the molecular dynamics, is a tool for studying the micro-molecular and particle nature. In this paper, the theoretical background of computer numerical simulation is introduced, and the specific methods of numerical integration are summarized, including Verlet method, Leap-frog method and Velocity Verlet method. At the same time, the method and principle of Monte Carlo Simulation are introduced. Finally, similarities and differences of Monte Carlo Simulation and the molecular dynamics simulation are discussed.

Computer Simulations and Their Influence on Students' Understanding of Oscillatory Motion

ERIC Educational Resources Information Center

Spodniaková Pfefferová, Miriam

2015-01-01

Nowadays, the use of information technology (ICT) in education is nothing new. But the question is where the limit is when the use of ICT does not have the desired effect. In the paper we discuss the use of simulations in the teaching process that can positively influence students' achievements. At the beginning of the paper we present the results…

An Examination of Problem-Based Teaching and Learning in Population Genetics and Evolution Using EVOLVE, a Computer Simulation.

ERIC Educational Resources Information Center

Soderberg, Patti; Price, Frank

2003-01-01

Examines a lesson in which students are engaged in inquiry in evolutionary biology to develop better understanding of concepts and reasoning skills necessary to support knowledge claims about changes in the genetic structure of populations known as microevolution. Explains how a software simulation, EVOLVE, can be used to foster discussions about…

Shuttle mission simulator baseline definition report, volume 2

NASA Technical Reports Server (NTRS)

Dahlberg, A. W.; Small, D. E.

1973-01-01

The baseline definition report for the space shuttle mission simulator is presented. The subjects discussed are: (1) the general configurations, (2) motion base crew station, (3) instructor operator station complex, (4) display devices, (5) electromagnetic compatibility, (6) external interface equipment, (7) data conversion equipment, (8) fixed base crew station equipment, and (9) computer complex. Block diagrams of the supporting subsystems are provided.

Using the Power of Media to Communicate Science: A Question of Style?

ERIC Educational Resources Information Center

Imhof, Heidi

1991-01-01

Discusses educational effects of the style, content, and quality inherent in several multimedia and desktop-publishing products available to science teachers, including books, interactive software, videos, and computer simulations. (JJK)

Computed Flow Through An Artificial Heart And Valve

NASA Technical Reports Server (NTRS)

Rogers, Stuart E.; Kwak, Dochan; Kiris, Cetin; Chang, I-Dee

1994-01-01

NASA technical memorandum discusses computations of flow of blood through artificial heart and through tilting-disk artificial heart valve. Represents further progress in research described in "Numerical Simulation of Flow Through an Artificial Heart" (ARC-12478). One purpose of research to exploit advanced techniques of computational fluid dynamics and capabilities of supercomputers to gain understanding of complicated internal flows of viscous, essentially incompressible fluids like blood. Another to use understanding to design better artificial hearts and valves.

Molecular electronics: insight from first-principles transport simulations.

PubMed

Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads

2010-01-01

Conduction properties of nanoscale contacts can be studied using first-principles simulations. Such calculations give insight into details behind the conductance that is not readily available in experiments. For example, we may learn how the bonding conditions of a molecule to the electrodes affect the electronic transport. Here we describe key computational ingredients and discuss these in relation to simulations for scanning tunneling microscopy (STM) experiments with C60 molecules where the experimental geometry is well characterized. We then show how molecular dynamics simulations may be combined with transport calculations to study more irregular situations, such as the evolution of a nanoscale contact with the mechanically controllable break-junction technique. Finally we discuss calculations of inelastic electron tunnelling spectroscopy as a characterization technique that reveals information about the atomic arrangement and transport channels.

Simulation Data as Data Streams

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

Abdulla, G; Arrighi, W; Critchlow, T

2003-11-18

Computational or scientific simulations are increasingly being applied to solve a variety of scientific problems. Domains such as astrophysics, engineering, chemistry, biology, and environmental studies are benefiting from this important capability. Simulations, however, produce enormous amounts of data that need to be analyzed and understood. In this overview paper, we describe scientific simulation data, its characteristics, and the way scientists generate and use the data. We then compare and contrast simulation data to data streams. Finally, we describe our approach to analyzing simulation data, present the AQSim (Ad-hoc Queries for Simulation data) system, and discuss some of the challenges thatmore » result from handling this kind of data.« less

A geostationary Earth orbit satellite model using Easy Java Simulation

NASA Astrophysics Data System (ADS)

Wee, Loo Kang; Hwee Goh, Giam

2013-01-01

We develop an Easy Java Simulation (EJS) model for students to visualize geostationary orbits near Earth, modelled using a Java 3D implementation of the EJS 3D library. The simplified physics model is described and simulated using a simple constant angular velocity equation. We discuss four computer model design ideas: (1) a simple and realistic 3D view and associated learning in the real world; (2) comparative visualization of permanent geostationary satellites; (3) examples of non-geostationary orbits of different rotation senses, periods and planes; and (4) an incorrect physics model for conceptual discourse. General feedback from the students has been relatively positive, and we hope teachers will find the computer model useful in their own classes.

Concepts and Plans towards fast large scale Monte Carlo production for the ATLAS Experiment

NASA Astrophysics Data System (ADS)

Ritsch, E.; Atlas Collaboration

2014-06-01

The huge success of the physics program of the ATLAS experiment at the Large Hadron Collider (LHC) during Run 1 relies upon a great number of simulated Monte Carlo events. This Monte Carlo production takes the biggest part of the computing resources being in use by ATLAS as of now. In this document we describe the plans to overcome the computing resource limitations for large scale Monte Carlo production in the ATLAS Experiment for Run 2, and beyond. A number of fast detector simulation, digitization and reconstruction techniques are being discussed, based upon a new flexible detector simulation framework. To optimally benefit from these developments, a redesigned ATLAS MC production chain is presented at the end of this document.

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

PubMed Central

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

2014-01-01

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

Simulating spin models on GPU

NASA Astrophysics Data System (ADS)

Weigel, Martin

2011-09-01

Over the last couple of years it has been realized that the vast computational power of graphics processing units (GPUs) could be harvested for purposes other than the video game industry. This power, which at least nominally exceeds that of current CPUs by large factors, results from the relative simplicity of the GPU architectures as compared to CPUs, combined with a large number of parallel processing units on a single chip. To benefit from this setup for general computing purposes, the problems at hand need to be prepared in a way to profit from the inherent parallelism and hierarchical structure of memory accesses. In this contribution I discuss the performance potential for simulating spin models, such as the Ising model, on GPU as compared to conventional simulations on CPU.

Progress and supercomputing in computational fluid dynamics; Proceedings of U.S.-Israel Workshop, Jerusalem, Israel, December 1984

NASA Technical Reports Server (NTRS)

Murman, E. M. (Editor); Abarbanel, S. S. (Editor)

1985-01-01

Current developments and future trends in the application of supercomputers to computational fluid dynamics are discussed in reviews and reports. Topics examined include algorithm development for personal-size supercomputers, a multiblock three-dimensional Euler code for out-of-core and multiprocessor calculations, simulation of compressible inviscid and viscous flow, high-resolution solutions of the Euler equations for vortex flows, algorithms for the Navier-Stokes equations, and viscous-flow simulation by FEM and related techniques. Consideration is given to marching iterative methods for the parabolized and thin-layer Navier-Stokes equations, multigrid solutions to quasi-elliptic schemes, secondary instability of free shear flows, simulation of turbulent flow, and problems connected with weather prediction.

Extending the Capabilities of Closed-loop Distributed Engine Control Simulations Using LAN Communication

NASA Technical Reports Server (NTRS)

Aretskin-Hariton, Eliot D.; Zinnecker, Alicia Mae; Culley, Dennis E.

2014-01-01

Distributed Engine Control (DEC) is an enabling technology that has the potential to advance the state-of-the-art in gas turbine engine control. To analyze the capabilities that DEC offers, a Hardware-In-the-Loop (HIL) test bed is being developed at NASA Glenn Research Center. This test bed will support a systems-level analysis of control capabilities in closed-loop engine simulations. The structure of the HIL emulates a virtual test cell by implementing the operator functions, control system, and engine on three separate computers. This implementation increases the flexibility and extensibility of the HIL. Here, a method is discussed for implementing these interfaces by connecting the three platforms over a dedicated Local Area Network (LAN). This approach is verified using the Commercial Modular Aero-Propulsion System Simulation 40k (C-MAPSS40k), which is typically implemented on one computer. There are marginal differences between the results from simulation of the typical and the three-computer implementation. Additional analysis of the LAN network, including characterization of network load, packet drop, and latency, is presented. The three-computer setup supports the incorporation of complex control models and proprietary engine models into the HIL framework.

A new paradigm for atomically detailed simulations of kinetics in biophysical systems.

PubMed

Elber, Ron

2017-01-01

The kinetics of biochemical and biophysical events determined the course of life processes and attracted considerable interest and research. For example, modeling of biological networks and cellular responses relies on the availability of information on rate coefficients. Atomically detailed simulations hold the promise of supplementing experimental data to obtain a more complete kinetic picture. However, simulations at biological time scales are challenging. Typical computer resources are insufficient to provide the ensemble of trajectories at the correct length that is required for straightforward calculations of time scales. In the last years, new technologies emerged that make atomically detailed simulations of rate coefficients possible. Instead of computing complete trajectories from reactants to products, these approaches launch a large number of short trajectories at different positions. Since the trajectories are short, they are computed trivially in parallel on modern computer architecture. The starting and termination positions of the short trajectories are chosen, following statistical mechanics theory, to enhance efficiency. These trajectories are analyzed. The analysis produces accurate estimates of time scales as long as hours. The theory of Milestoning that exploits the use of short trajectories is discussed, and several applications are described.

On the use of reverse Brownian motion to accelerate hybrid simulations

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

Bakarji, Joseph; Tartakovsky, Daniel M., E-mail: tartakovsky@stanford.edu

Multiscale and multiphysics simulations are two rapidly developing fields of scientific computing. Efficient coupling of continuum (deterministic or stochastic) constitutive solvers with their discrete (stochastic, particle-based) counterparts is a common challenge in both kinds of simulations. We focus on interfacial, tightly coupled simulations of diffusion that combine continuum and particle-based solvers. The latter employs the reverse Brownian motion (rBm), a Monte Carlo approach that allows one to enforce inhomogeneous Dirichlet, Neumann, or Robin boundary conditions and is trivially parallelizable. We discuss numerical approaches for improving the accuracy of rBm in the presence of inhomogeneous Neumann boundary conditions and alternative strategiesmore » for coupling the rBm solver with its continuum counterpart. Numerical experiments are used to investigate the convergence, stability, and computational efficiency of the proposed hybrid algorithm.« less

Successes and Challenges of Incompressible Flow Simulation

NASA Technical Reports Server (NTRS)

Kwak, Dochan; Kiris, Cetin

2003-01-01

During the past thirty years, numerical methods and simulation tools for incompressible flows have been advanced as a subset of CFD discipline. Even though incompressible flows are encountered in many areas of engineering, simulation of compressible flow has been the major driver for developing computational algorithms and tools. This is probably due to rather stringent requirements for predicting aerodynamic performance characteristics of flight vehicles, while flow devices involving low speed or incompressible flow could be reasonably well designed without resorting to accurate numerical simulations. As flow devices are required to be more sophisticated and highly efficient, CFD tools become indispensable in fluid engineering for incompressible and low speed flow. This paper is intended to review some of the successes made possible by advances in computational technologies during the same period, and discuss some of the current challenges.

Taxiing, Take-Off, and Landing Simulation of the High Speed Civil Transport Aircraft

NASA Technical Reports Server (NTRS)

Reaves, Mercedes C.; Horta, Lucas G.

1999-01-01

The aircraft industry jointly with NASA is studying enabling technologies for higher speed, longer range aircraft configurations. Higher speeds, higher temperatures, and aerodynamics are driving these newer aircraft configurations towards long, slender, flexible fuselages. Aircraft response during ground operations, although often overlooked, is a concern due to the increased fuselage flexibility. This paper discusses modeling and simulation of the High Speed Civil Transport aircraft during taxiing, take-off, and landing. Finite element models of the airframe for various configurations are used and combined with nonlinear landing gear models to provide a simulation tool to study responses to different ground input conditions. A commercial computer simulation program is used to numerically integrate the equations of motion and to compute estimates of the responses using an existing runway profile. Results show aircraft responses exceeding safe acceptable human response levels.

Geometry Modeling and Grid Generation for Computational Aerodynamic Simulations Around Iced Airfoils and Wings

NASA Technical Reports Server (NTRS)

Choo, Yung K.; Slater, John W.; Vickerman, Mary B.; VanZante, Judith F.; Wadel, Mary F. (Technical Monitor)

2002-01-01

Issues associated with analysis of 'icing effects' on airfoil and wing performances are discussed, along with accomplishments and efforts to overcome difficulties with ice. Because of infinite variations of ice shapes and their high degree of complexity, computational 'icing effects' studies using available software tools must address many difficulties in geometry acquisition and modeling, grid generation, and flow simulation. The value of each technology component needs to be weighed from the perspective of the entire analysis process, from geometry to flow simulation. Even though CFD codes are yet to be validated for flows over iced airfoils and wings, numerical simulation, when considered together with wind tunnel tests, can provide valuable insights into 'icing effects' and advance our understanding of the relationship between ice characteristics and their effects on performance degradation.

Functional assessment of coronary artery disease by intravascular ultrasound and computational fluid dynamics simulation.

PubMed

Carrizo, Sebastián; Xie, Xinzhou; Peinado-Peinado, Rafael; Sánchez-Recalde, Angel; Jiménez-Valero, Santiago; Galeote-Garcia, Guillermo; Moreno, Raúl

2014-10-01

Clinical trials have shown that functional assessment of coronary stenosis by fractional flow reserve (FFR) improves clinical outcomes. Intravascular ultrasound (IVUS) complements conventional angiography, and is a powerful tool to assess atherosclerotic plaques and to guide percutaneous coronary intervention (PCI). Computational fluid dynamics (CFD) simulation represents a novel method for the functional assessment of coronary flow. A CFD simulation can be calculated from the data normally acquired by IVUS images. A case of coronary heart disease studied with FFR and IVUS, before and after PCI, is presented. A three-dimensional model was constructed based on IVUS images, to which CFD was applied. A discussion of the literature concerning the clinical utility of CFD simulation is provided. Copyright © 2014 Sociedade Portuguesa de Cardiologia. Published by Elsevier España. All rights reserved.

Action simulation: time course and representational mechanisms

PubMed Central

Springer, Anne; Parkinson, Jim; Prinz, Wolfgang

2013-01-01

The notion of action simulation refers to the ability to re-enact foreign actions (i.e., actions observed in other individuals). Simulating others' actions implies a mirroring of their activities, based on one's own sensorimotor competencies. Here, we discuss theoretical and experimental approaches to action simulation and the study of its representational underpinnings. One focus of our discussion is on the timing of internal simulation and its relation to the timing of external action, and a paradigm that requires participants to predict the future course of actions that are temporarily occluded from view. We address transitions between perceptual mechanisms (referring to action representation before and after occlusion) and simulation mechanisms (referring to action representation during occlusion). Findings suggest that action simulation runs in real-time; acting on newly created action representations rather than relying on continuous visual extrapolations. A further focus of our discussion pertains to the functional characteristics of the mechanisms involved in predicting other people's actions. We propose that two processes are engaged, dynamic updating and static matching, which may draw on both semantic and motor information. In a concluding section, we discuss these findings in the context of broader theoretical issues related to action and event representation, arguing that a detailed functional analysis of action simulation in cognitive, neural, and computational terms may help to further advance our understanding of action cognition and motor control. PMID:23847563

Coupled numerical approach combining finite volume and lattice Boltzmann methods for multi-scale multi-physicochemical processes

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

Chen, Li; He, Ya-Ling; Kang, Qinjun

2013-12-15

A coupled (hybrid) simulation strategy spatially combining the finite volume method (FVM) and the lattice Boltzmann method (LBM), called CFVLBM, is developed to simulate coupled multi-scale multi-physicochemical processes. In the CFVLBM, computational domain of multi-scale problems is divided into two sub-domains, i.e., an open, free fluid region and a region filled with porous materials. The FVM and LBM are used for these two regions, respectively, with information exchanged at the interface between the two sub-domains. A general reconstruction operator (RO) is proposed to derive the distribution functions in the LBM from the corresponding macro scalar, the governing equation of whichmore » obeys the convection–diffusion equation. The CFVLBM and the RO are validated in several typical physicochemical problems and then are applied to simulate complex multi-scale coupled fluid flow, heat transfer, mass transport, and chemical reaction in a wall-coated micro reactor. The maximum ratio of the grid size between the FVM and LBM regions is explored and discussed. -- Highlights: •A coupled simulation strategy for simulating multi-scale phenomena is developed. •Finite volume method and lattice Boltzmann method are coupled. •A reconstruction operator is derived to transfer information at the sub-domains interface. •Coupled multi-scale multiple physicochemical processes in micro reactor are simulated. •Techniques to save computational resources and improve the efficiency are discussed.« less

Computational techniques for ECG analysis and interpretation in light of their contribution to medical advances

PubMed Central

Mincholé, Ana; Martínez, Juan Pablo; Laguna, Pablo; Rodriguez, Blanca

2018-01-01

Widely developed for clinical screening, electrocardiogram (ECG) recordings capture the cardiac electrical activity from the body surface. ECG analysis can therefore be a crucial first step to help diagnose, understand and predict cardiovascular disorders responsible for 30% of deaths worldwide. Computational techniques, and more specifically machine learning techniques and computational modelling are powerful tools for classification, clustering and simulation, and they have recently been applied to address the analysis of medical data, especially ECG data. This review describes the computational methods in use for ECG analysis, with a focus on machine learning and 3D computer simulations, as well as their accuracy, clinical implications and contributions to medical advances. The first section focuses on heartbeat classification and the techniques developed to extract and classify abnormal from regular beats. The second section focuses on patient diagnosis from whole recordings, applied to different diseases. The third section presents real-time diagnosis and applications to wearable devices. The fourth section highlights the recent field of personalized ECG computer simulations and their interpretation. Finally, the discussion section outlines the challenges of ECG analysis and provides a critical assessment of the methods presented. The computational methods reported in this review are a strong asset for medical discoveries and their translation to the clinical world may lead to promising advances. PMID:29321268

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

NASA Astrophysics Data System (ADS)

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

2014-12-01

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

The silicon synapse or, neural net computing.

PubMed

Frenger, P

1989-01-01

Recent developments have rekindled interest in the electronic neural network, a form of parallel computer architecture loosely based on the nervous system of living creatures. This paper describes the elements of neural net computers, reviews the historical milestones in their development, and lists the advantages and disadvantages of their use. Methods for software simulation of neural network systems on existing computers, as well as creation of hardware analogues, are given. The most successful applications of these techniques, involving emulation of biological system responses, are presented. The author's experiences with neural net systems are discussed.

TH-E-18A-01: Developments in Monte Carlo Methods for Medical Imaging

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

Badal, A; Zbijewski, W; Bolch, W

Monte Carlo simulation methods are widely used in medical physics research and are starting to be implemented in clinical applications such as radiation therapy planning systems. Monte Carlo simulations offer the capability to accurately estimate quantities of interest that are challenging to measure experimentally while taking into account the realistic anatomy of an individual patient. Traditionally, practical application of Monte Carlo simulation codes in diagnostic imaging was limited by the need for large computational resources or long execution times. However, recent advancements in high-performance computing hardware, combined with a new generation of Monte Carlo simulation algorithms and novel postprocessing methods,more » are allowing for the computation of relevant imaging parameters of interest such as patient organ doses and scatter-to-primaryratios in radiographic projections in just a few seconds using affordable computational resources. Programmable Graphics Processing Units (GPUs), for example, provide a convenient, affordable platform for parallelized Monte Carlo executions that yield simulation times on the order of 10{sup 7} xray/ s. Even with GPU acceleration, however, Monte Carlo simulation times can be prohibitive for routine clinical practice. To reduce simulation times further, variance reduction techniques can be used to alter the probabilistic models underlying the x-ray tracking process, resulting in lower variance in the results without biasing the estimates. Other complementary strategies for further reductions in computation time are denoising of the Monte Carlo estimates and estimating (scoring) the quantity of interest at a sparse set of sampling locations (e.g. at a small number of detector pixels in a scatter simulation) followed by interpolation. Beyond reduction of the computational resources required for performing Monte Carlo simulations in medical imaging, the use of accurate representations of patient anatomy is crucial to the virtual generation of medical images and accurate estimation of radiation dose and other imaging parameters. For this, detailed computational phantoms of the patient anatomy must be utilized and implemented within the radiation transport code. Computational phantoms presently come in one of three format types, and in one of four morphometric categories. Format types include stylized (mathematical equation-based), voxel (segmented CT/MR images), and hybrid (NURBS and polygon mesh surfaces). Morphometric categories include reference (small library of phantoms by age at 50th height/weight percentile), patient-dependent (larger library of phantoms at various combinations of height/weight percentiles), patient-sculpted (phantoms altered to match the patient's unique outer body contour), and finally, patient-specific (an exact representation of the patient with respect to both body contour and internal anatomy). The existence and availability of these phantoms represents a very important advance for the simulation of realistic medical imaging applications using Monte Carlo methods. New Monte Carlo simulation codes need to be thoroughly validated before they can be used to perform novel research. Ideally, the validation process would involve comparison of results with those of an experimental measurement, but accurate replication of experimental conditions can be very challenging. It is very common to validate new Monte Carlo simulations by replicating previously published simulation results of similar experiments. This process, however, is commonly problematic due to the lack of sufficient information in the published reports of previous work so as to be able to replicate the simulation in detail. To aid in this process, the AAPM Task Group 195 prepared a report in which six different imaging research experiments commonly performed using Monte Carlo simulations are described and their results provided. The simulation conditions of all six cases are provided in full detail, with all necessary data on material composition, source, geometry, scoring and other parameters provided. The results of these simulations when performed with the four most common publicly available Monte Carlo packages are also provided in tabular form. The Task Group 195 Report will be useful for researchers needing to validate their Monte Carlo work, and for trainees needing to learn Monte Carlo simulation methods. In this symposium we will review the recent advancements in highperformance computing hardware enabling the reduction in computational resources needed for Monte Carlo simulations in medical imaging. We will review variance reduction techniques commonly applied in Monte Carlo simulations of medical imaging systems and present implementation strategies for efficient combination of these techniques with GPU acceleration. Trade-offs involved in Monte Carlo acceleration by means of denoising and “sparse sampling” will be discussed. A method for rapid scatter correction in cone-beam CT (<5 min/scan) will be presented as an illustration of the simulation speeds achievable with optimized Monte Carlo simulations. We will also discuss the development, availability, and capability of the various combinations of computational phantoms for Monte Carlo simulation of medical imaging systems. Finally, we will review some examples of experimental validation of Monte Carlo simulations and will present the AAPM Task Group 195 Report. Learning Objectives: Describe the advances in hardware available for performing Monte Carlo simulations in high performance computing environments. Explain variance reduction, denoising and sparse sampling techniques available for reduction of computational time needed for Monte Carlo simulations of medical imaging. List and compare the computational anthropomorphic phantoms currently available for more accurate assessment of medical imaging parameters in Monte Carlo simulations. Describe experimental methods used for validation of Monte Carlo simulations in medical imaging. Describe the AAPM Task Group 195 Report and its use for validation and teaching of Monte Carlo simulations in medical imaging.« less

Adaptation of a program for nonlinear finite element analysis to the CDC STAR 100 computer

NASA Technical Reports Server (NTRS)

Pifko, A. B.; Ogilvie, P. L.

1978-01-01

The conversion of a nonlinear finite element program to the CDC STAR 100 pipeline computer is discussed. The program called DYCAST was developed for the crash simulation of structures. Initial results with the STAR 100 computer indicated that significant gains in computation time are possible for operations on gloval arrays. However, for element level computations that do not lend themselves easily to long vector processing, the STAR 100 was slower than comparable scalar computers. On this basis it is concluded that in order for pipeline computers to impact the economic feasibility of large nonlinear analyses it is absolutely essential that algorithms be devised to improve the efficiency of element level computations.

Using Adaptive Mesh Refinment to Simulate Storm Surge

NASA Astrophysics Data System (ADS)

Mandli, K. T.; Dawson, C.

2012-12-01

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

Approximate Bayesian computation for forward modeling in cosmology

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

Akeret, Joël; Refregier, Alexandre; Amara, Adam

Bayesian inference is often used in cosmology and astrophysics to derive constraints on model parameters from observations. This approach relies on the ability to compute the likelihood of the data given a choice of model parameters. In many practical situations, the likelihood function may however be unavailable or intractable due to non-gaussian errors, non-linear measurements processes, or complex data formats such as catalogs and maps. In these cases, the simulation of mock data sets can often be made through forward modeling. We discuss how Approximate Bayesian Computation (ABC) can be used in these cases to derive an approximation to themore » posterior constraints using simulated data sets. This technique relies on the sampling of the parameter set, a distance metric to quantify the difference between the observation and the simulations and summary statistics to compress the information in the data. We first review the principles of ABC and discuss its implementation using a Population Monte-Carlo (PMC) algorithm and the Mahalanobis distance metric. We test the performance of the implementation using a Gaussian toy model. We then apply the ABC technique to the practical case of the calibration of image simulations for wide field cosmological surveys. We find that the ABC analysis is able to provide reliable parameter constraints for this problem and is therefore a promising technique for other applications in cosmology and astrophysics. Our implementation of the ABC PMC method is made available via a public code release.« less

Stochastic simulation of spatially correlated geo-processes

USGS Publications Warehouse

Christakos, G.

1987-01-01

In this study, developments in the theory of stochastic simulation are discussed. The unifying element is the notion of Radon projection in Euclidean spaces. This notion provides a natural way of reconstructing the real process from a corresponding process observable on a reduced dimensionality space, where analysis is theoretically easier and computationally tractable. Within this framework, the concept of space transformation is defined and several of its properties, which are of significant importance within the context of spatially correlated processes, are explored. The turning bands operator is shown to follow from this. This strengthens considerably the theoretical background of the geostatistical method of simulation, and some new results are obtained in both the space and frequency domains. The inverse problem is solved generally and the applicability of the method is extended to anisotropic as well as integrated processes. Some ill-posed problems of the inverse operator are discussed. Effects of the measurement error and impulses at origin are examined. Important features of the simulated process as described by geomechanical laws, the morphology of the deposit, etc., may be incorporated in the analysis. The simulation may become a model-dependent procedure and this, in turn, may provide numerical solutions to spatial-temporal geologic models. Because the spatial simu??lation may be technically reduced to unidimensional simulations, various techniques of generating one-dimensional realizations are reviewed. To link theory and practice, an example is computed in detail. ?? 1987 International Association for Mathematical Geology.

Flight in low-level wind shear

NASA Technical Reports Server (NTRS)

Frost, W.

1983-01-01

Results of studies of wind shear hazard to aircraft operation are summarized. Existing wind shear profiles currently used in computer and flight simulator studies are reviewed. The governing equations of motion for an aircraft are derived incorporating the variable wind effects. Quantitative discussions of the effects of wind shear on aircraft performance are presented. These are followed by a review of mathematical solutions to both the linear and nonlinear forms of the governing equations. Solutions with and without control laws are presented. The application of detailed analysis to develop warning and detection systems based on Doppler radar measuring wind speed along the flight path is given. A number of flight path deterioration parameters are defined and evaluated. Comparison of computer-predicted flight paths with those measured in a manned flight simulator is made. Some proposed airborne and ground-based wind shear hazard warning and detection systems are reviewed. The advantages and disadvantages of both types of systems are discussed.

Perspectives in numerical astrophysics:

NASA Astrophysics Data System (ADS)

Reverdy, V.

2016-12-01

In this discussion paper, we investigate the current and future status of numerical astrophysics and highlight key questions concerning the transition to the exascale era. We first discuss the fact that one of the main motivation behind high performance simulations should not be the reproduction of observational or experimental data, but the understanding of the emergence of complexity from fundamental laws. This motivation is put into perspective regarding the quest for more computational power and we argue that extra computational resources can be used to gain in abstraction. Then, the readiness level of present-day simulation codes in regard to upcoming exascale architecture is examined and two major challenges are raised concerning both the central role of data movement for performances and the growing complexity of codes. Software architecture is finally presented as a key component to make the most of upcoming architectures while solving original physics problems.

Computational Aerothermodynamics in Aeroassist Applications

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.

2001-01-01

Aeroassisted planetary entry uses atmospheric drag to decelerate spacecraft from super-orbital to orbital or suborbital velocities. Numerical simulation of flow fields surrounding these spacecraft during hypersonic atmospheric entry is required to define aerothermal loads. The severe compression in the shock layer in front of the vehicle and subsequent, rapid expansion into the wake are characterized by high temperature, thermo-chemical nonequilibrium processes. Implicit algorithms required for efficient, stable computation of the governing equations involving disparate time scales of convection, diffusion, chemical reactions, and thermal relaxation are discussed. Robust point-implicit strategies are utilized in the initialization phase; less robust but more efficient line-implicit strategies are applied in the endgame. Applications to ballutes (balloon-like decelerators) in the atmospheres of Venus, Mars, Titan, Saturn, and Neptune and a Mars Sample Return Orbiter (MSRO) are featured. Examples are discussed where time-accurate simulation is required to achieve a steady-state solution.

The ATLAS Simulation Infrastructure

DOE PAGES

Aad, G.; Abbott, B.; Abdallah, J.; ...

2010-09-25

The simulation software for the ATLAS Experiment at the Large Hadron Collider is being used for large-scale production of events on the LHC Computing Grid. This simulation requires many components, from the generators that simulate particle collisions, through packages simulating the response of the various detectors and triggers. All of these components come together under the ATLAS simulation infrastructure. In this paper, that infrastructure is discussed, including that supporting the detector description, interfacing the event generation, and combining the GEANT4 simulation of the response of the individual detectors. Also described are the tools allowing the software validation, performance testing, andmore » the validation of the simulated output against known physics processes.« less

Ultra-low frequency vibration data acquisition concerns in operating flight simulators. [Motion sickness inducing vibrations in flight simulators

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

Van Hoy, B.W.

1988-01-01

The measurement of ultra-low frequency vibration (.01 to 1.0 Hz) in motion based flight simulators was undertaken to quantify the energy and frequencies of motion present during operation. Methods of measurement, the selection of transducers, recorders, and analyzers and the development of a test plan, as well as types of analysis are discussed. Analysis of the data using a high-speed minicomputer and a comparison of the computer analysis with standard FFT analysis are also discussed. Measurement of simulator motion with the pilot included as part of the control dynamics had not been done up to this time. The data aremore » being used to evaluate the effect of low frequency energy on the vestibular system of the air crew, and the incidence of simulator induced sickness. 11 figs.« less

Man-rated flight software for the F-8 DFBW program

NASA Technical Reports Server (NTRS)

Bairnsfather, R. R.

1975-01-01

The design, implementation, and verification of the flight control software used in the F-8 DFBW program are discussed. Since the DFBW utilizes an Apollo computer and hardware, the procedures, controls, and basic management techniques employed are based on those developed for the Apollo software system. Program Assembly Control, simulator configuration control, erasable-memory load generation, change procedures and anomaly reporting are discussed. The primary verification tools--the all-digital simulator, the hybrid simulator, and the Iron Bird simulator--are described, as well as the program test plans and their implementation on the various simulators. Failure-effects analysis and the creation of special failure-generating software for testing purposes are described. The quality of the end product is evidenced by the F-8 DFBW flight test program in which 42 flights, totaling 58 hours of flight time, were successfully made without any DFCS inflight software, or hardware, failures.

Simulation of gas diffusion and sorption in nanoceramic semiconductors

NASA Astrophysics Data System (ADS)

Skouras, E. D.; Burganos, V. N.; Payatakes, A. C.

1999-05-01

Gas diffusion and sorption in nanoceramic semiconductors are studied using atomistic simulation techniques and numerical results are presented for a variety of sorbate-sorbent systems. SnO2, BaTiO3, CuO, and MgO substrates are built on the computer using lattice constants and atomic parameters that have been either measured or computed by ab initio methods. The Universal force field is employed here for the description of both intramolecular and nonbonded interactions for various gas sorbates, including CH4, CO, CO2, and O2, pure and in binary mixtures. Mean residence times are determined by molecular dynamics computations, whereas the Henry constant and the isosteric heat of adsorption are estimated by a Monte Carlo technique. The effects of surface hydroxylation on the diffusion and sorption characteristics are quantified and discussed in view of their significance in practical gas sensing applications. The importance of fast diffusion on the response time of the sensitive layer and of the sorption efficiency on the overall sensitivity as well as the potential synergy of the two phenomena are discussed.

Ant system: optimization by a colony of cooperating agents.

PubMed

Dorigo, M; Maniezzo, V; Colorni, A

1996-01-01

An analogy with the way ant colonies function has suggested the definition of a new computational paradigm, which we call ant system (AS). We propose it as a viable new approach to stochastic combinatorial optimization. The main characteristics of this model are positive feedback, distributed computation, and the use of a constructive greedy heuristic. Positive feedback accounts for rapid discovery of good solutions, distributed computation avoids premature convergence, and the greedy heuristic helps find acceptable solutions in the early stages of the search process. We apply the proposed methodology to the classical traveling salesman problem (TSP), and report simulation results. We also discuss parameter selection and the early setups of the model, and compare it with tabu search and simulated annealing using TSP. To demonstrate the robustness of the approach, we show how the ant system (AS) can be applied to other optimization problems like the asymmetric traveling salesman, the quadratic assignment and the job-shop scheduling. Finally we discuss the salient characteristics-global data structure revision, distributed communication and probabilistic transitions of the AS.

A thermodynamic study of Abeta(16-21) dissociation from a fibril using computer simulations

NASA Astrophysics Data System (ADS)

Dias, Cristiano; Mahmoudinobar, Farbod; Su, Zhaoqian

Here, I will discuss recent all-atom molecular dynamics simulations with explicit water in which we studied the thermodynamic properties of Abeta(16-21) dissociation from an amyloid fibril. Changes in thermodynamics quantities, e.g., entropy, enthalpy, and volume, are computed from the temperature dependence of the free-energy computed using the umbrella sampling method. We find similarities and differences between the thermodynamics of peptide dissociation and protein unfolding. Similarly to protein unfolding, Abeta(16-21) dissociation is characterized by an unfavorable change in enthalpy, a favorable change in the entropic energy, and an increase in the heat capacity. A main difference is that peptide dissociation is characterized by a weak enthalpy-entropy compensation. We characterize dock and lock states of the peptide based on the solvent accessible surface area. The Lennard-Jones energy of the system is observed to increase continuously in lock and dock states as the peptide dissociates. The electrostatic energy increases in the lock state and it decreases in the dock state as the peptide dissociates. These results will be discussed as well as their implication for fibril growth.

A computational study of liposome logic: towards cellular computing from the bottom up

PubMed Central

Smaldon, James; Romero-Campero, Francisco J.; Fernández Trillo, Francisco; Gheorghe, Marian; Alexander, Cameron

2010-01-01

In this paper we propose a new bottom-up approach to cellular computing, in which computational chemical processes are encapsulated within liposomes. This “liposome logic” approach (also called vesicle computing) makes use of supra-molecular chemistry constructs, e.g. protocells, chells, etc. as minimal cellular platforms to which logical functionality can be added. Modeling and simulations feature prominently in “top-down” synthetic biology, particularly in the specification, design and implementation of logic circuits through bacterial genome reengineering. The second contribution in this paper is the demonstration of a novel set of tools for the specification, modelling and analysis of “bottom-up” liposome logic. In particular, simulation and modelling techniques are used to analyse some example liposome logic designs, ranging from relatively simple NOT gates and NAND gates to SR-Latches, D Flip-Flops all the way to 3 bit ripple counters. The approach we propose consists of specifying, by means of P systems, gene regulatory network-like systems operating inside proto-membranes. This P systems specification can be automatically translated and executed through a multiscaled pipeline composed of dissipative particle dynamics (DPD) simulator and Gillespie’s stochastic simulation algorithm (SSA). Finally, model selection and analysis can be performed through a model checking phase. This is the first paper we are aware of that brings to bear formal specifications, DPD, SSA and model checking to the problem of modeling target computational functionality in protocells. Potential chemical routes for the laboratory implementation of these simulations are also discussed thus for the first time suggesting a potentially realistic physiochemical implementation for membrane computing from the bottom-up. PMID:21886681

Computational Aerodynamic Simulations of a 1215 ft/sec Tip Speed Transonic Fan System Model for Acoustic Methods Assessment and Development

NASA Technical Reports Server (NTRS)

Tweedt, Daniel L.

2014-01-01

Computational Aerodynamic simulations of a 1215 ft/sec tip speed transonic fan system were performed at five different operating points on the fan operating line, in order to provide detailed internal flow field information for use with fan acoustic prediction methods presently being developed, assessed and validated. The fan system is a sub-scale, low-noise research fan/nacelle model that has undergone extensive experimental testing in the 9- by 15-foot Low Speed Wind Tunnel at the NASA Glenn Research Center. Details of the fan geometry, the computational fluid dynamics methods, the computational grids, and various computational parameters relevant to the numerical simulations are discussed. Flow field results for three of the five operating points simulated are presented in order to provide a representative look at the computed solutions. Each of the five fan aerodynamic simulations involved the entire fan system, which for this model did not include a split flow path with core and bypass ducts. As a result, it was only necessary to adjust fan rotational speed in order to set the fan operating point, leading to operating points that lie on a fan operating line and making mass flow rate a fully dependent parameter. The resulting mass flow rates are in good agreement with measurement values. Computed blade row flow fields at all fan operating points are, in general, aerodynamically healthy. Rotor blade and fan exit guide vane flow characteristics are good, including incidence and deviation angles, chordwise static pressure distributions, blade surface boundary layers, secondary flow structures, and blade wakes. Examination of the flow fields at all operating conditions reveals no excessive boundary layer separations or related secondary-flow problems.

High-End Computing Challenges in Aerospace Design and Engineering

NASA Technical Reports Server (NTRS)

Bailey, F. Ronald

2004-01-01

High-End Computing (HEC) has had significant impact on aerospace design and engineering and is poised to make even more in the future. In this paper we describe four aerospace design and engineering challenges: Digital Flight, Launch Simulation, Rocket Fuel System and Digital Astronaut. The paper discusses modeling capabilities needed for each challenge and presents projections of future near and far-term HEC computing requirements. NASA's HEC Project Columbia is described and programming strategies presented that are necessary to achieve high real performance.

Design analysis and computer-aided performance evaluation of shuttle orbiter electrical power system. Volume 2: SYSTID user's guide

NASA Technical Reports Server (NTRS)

1974-01-01

The manual for the use of the computer program SYSTID under the Univac operating system is presented. The computer program is used in the simulation and evaluation of the space shuttle orbiter electric power supply. The models described in the handbook are those which were available in the original versions of SYSTID. The subjects discussed are: (1) program description, (2) input language, (3) node typing, (4) problem submission, and (5) basic and power system SYSTID libraries.

A serial digital data communications device. [for real time flight simulation

NASA Technical Reports Server (NTRS)

Fetter, J. L.

1977-01-01

A general purpose computer peripheral device which is used to provide a full-duplex, serial, digital data transmission link between a Xerox Sigma computer and a wide variety of external equipment, including computers, terminals, and special purpose devices is reported. The interface has an extensive set of user defined options to assist the user in establishing the necessary data links. This report describes those options and other features of the serial communications interface and its performance by discussing its application to a particular problem.

Linear Scaling Density Functional Calculations with Gaussian Orbitals

NASA Technical Reports Server (NTRS)

Scuseria, Gustavo E.

1999-01-01

Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.

Shock and vibration technology with applications to electrical systems

NASA Technical Reports Server (NTRS)

Eshleman, R. L.

1972-01-01

A survey is presented of shock and vibration technology for electrical systems developed by the aerospace programs. The shock environment is surveyed along with new techniques for modeling, computer simulation, damping, and response analysis. Design techniques based on the use of analog computers, shock spectra, optimization, and nonlinear isolation are discussed. Shock mounting of rotors for performance and survival, and vibration isolation techniques are reviewed.

Editorial

NASA Astrophysics Data System (ADS)

Caturla, M. J.; Abril, I.; Denton, C.; Martín-Bragado, I.

2015-06-01

The 12th edition of the International Conference on Computer Simulation of Radiation Effects in Solids (COSIRES2014) was held in Alicante (Alacant), Spain on June 8-13, organized by the University of Alacant. This conference series, which started in 1992 in Berlin, Germany, and that is held every two years, is now a well-established meeting where the latest developments in computer modeling of all forms of irradiation of materials are discussed.

Man-rated flight software for the F-8 DFBW program

NASA Technical Reports Server (NTRS)

Bairnsfather, R. R.

1976-01-01

The design, implementation, and verification of the flight control software used in the F-8 DFBW program are discussed. Since the DFBW utilizes an Apollo computer and hardware, the procedures, controls, and basic management techniques employed are based on those developed for the Apollo software system. Program assembly control, simulator configuration control, erasable-memory load generation, change procedures and anomaly reporting are discussed. The primary verification tools are described, as well as the program test plans and their implementation on the various simulators. Failure effects analysis and the creation of special failure generating software for testing purposes are described.

MD Simulations of tRNA and Aminoacyl-tRNA Synthetases: Dynamics, Folding, Binding, and Allostery

PubMed Central

Li, Rongzhong; Macnamara, Lindsay M.; Leuchter, Jessica D.; Alexander, Rebecca W.; Cho, Samuel S.

2015-01-01

While tRNA and aminoacyl-tRNA synthetases are classes of biomolecules that have been extensively studied for decades, the finer details of how they carry out their fundamental biological functions in protein synthesis remain a challenge. Recent molecular dynamics (MD) simulations are verifying experimental observations and providing new insight that cannot be addressed from experiments alone. Throughout the review, we briefly discuss important historical events to provide a context for how far the field has progressed over the past few decades. We then review the background of tRNA molecules, aminoacyl-tRNA synthetases, and current state of the art MD simulation techniques for those who may be unfamiliar with any of those fields. Recent MD simulations of tRNA dynamics and folding and of aminoacyl-tRNA synthetase dynamics and mechanistic characterizations are discussed. We highlight the recent successes and discuss how important questions can be addressed using current MD simulations techniques. We also outline several natural next steps for computational studies of AARS:tRNA complexes. PMID:26184179

Computer simulation of ion beam analysis of laterally inhomogeneous materials

NASA Astrophysics Data System (ADS)

Mayer, M.

2016-03-01

The program STRUCTNRA for the simulation of ion beam analysis charged particle spectra from arbitrary two-dimensional distributions of materials is described. The code is validated by comparison to experimental backscattering data from a silicon grating on tantalum at different orientations and incident angles. Simulated spectra for several types of rough thin layers and a chessboard-like arrangement of materials as example for a multi-phase agglomerate material are presented. Ambiguities between back-scattering spectra from two-dimensional and one-dimensional sample structures are discussed.

A User-Friendly Software Package for HIFU Simulation

NASA Astrophysics Data System (ADS)

Soneson, Joshua E.

2009-04-01

A freely-distributed, MATLAB (The Mathworks, Inc., Natick, MA)-based software package for simulating axisymmetric high-intensity focused ultrasound (HIFU) beams and their heating effects is discussed. The package (HIFU_Simulator) consists of a propagation module which solves the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation and a heating module which solves Pennes' bioheat transfer (BHT) equation. The pressure, intensity, heating rate, temperature, and thermal dose fields are computed, plotted, the output is released to the MATLAB workspace for further user analysis or postprocessing.

Architectures for Quantum Simulation Showing a Quantum Speedup

NASA Astrophysics Data System (ADS)

Bermejo-Vega, Juan; Hangleiter, Dominik; Schwarz, Martin; Raussendorf, Robert; Eisert, Jens

2018-04-01

One of the main aims in the field of quantum simulation is to achieve a quantum speedup, often referred to as "quantum computational supremacy," referring to the experimental realization of a quantum device that computationally outperforms classical computers. In this work, we show that one can devise versatile and feasible schemes of two-dimensional, dynamical, quantum simulators showing such a quantum speedup, building on intermediate problems involving nonadaptive, measurement-based, quantum computation. In each of the schemes, an initial product state is prepared, potentially involving an element of randomness as in disordered models, followed by a short-time evolution under a basic translationally invariant Hamiltonian with simple nearest-neighbor interactions and a mere sampling measurement in a fixed basis. The correctness of the final-state preparation in each scheme is fully efficiently certifiable. We discuss experimental necessities and possible physical architectures, inspired by platforms of cold atoms in optical lattices and a number of others, as well as specific assumptions that enter the complexity-theoretic arguments. This work shows that benchmark settings exhibiting a quantum speedup may require little control, in contrast to universal quantum computing. Thus, our proposal puts a convincing experimental demonstration of a quantum speedup within reach in the near term.

Radiation damage of biomolecules (RADAM) database development: current status

NASA Astrophysics Data System (ADS)

Denifl, S.; Garcia, G.; Huber, B. A.; Marinković, B. P.; Mason, N.; Postler, J.; Rabus, H.; Rixon, G.; Solov'yov, A. V.; Suraud, E.; Yakubovich, A. V.

2013-06-01

Ion beam therapy offers the possibility of excellent dose localization for treatment of malignant tumours, minimizing radiation damage in normal tissue, while maximizing cell killing within the tumour. However, as the underlying dependent physical, chemical and biological processes are too complex to treat them on a purely analytical level, most of our current and future understanding will rely on computer simulations, based on mathematical equations, algorithms and last, but not least, on the available atomic and molecular data. The viability of the simulated output and the success of any computer simulation will be determined by these data, which are treated as the input variables in each computer simulation performed. The radiation research community lacks a complete database for the cross sections of all the different processes involved in ion beam induced damage: ionization and excitation cross sections for ions with liquid water and biological molecules, all the possible electron - medium interactions, dielectric response data, electron attachment to biomolecules etc. In this paper we discuss current progress in the creation of such a database, outline the roadmap of the project and review plans for the exploitation of such a database in future simulations.

PAB3D: Its History in the Use of Turbulence Models in the Simulation of Jet and Nozzle Flows

NASA Technical Reports Server (NTRS)

Abdol-Hamid, Khaled S.; Pao, S. Paul; Hunter, Craig A.; Deere, Karen A.; Massey, Steven J.; Elmiligui, Alaa

2006-01-01

This is a review paper for PAB3D s history in the implementation of turbulence models for simulating jet and nozzle flows. We describe different turbulence models used in the simulation of subsonic and supersonic jet and nozzle flows. The time-averaged simulations use modified linear or nonlinear two-equation models to account for supersonic flow as well as high temperature mixing. Two multiscale-type turbulence models are used for unsteady flow simulations. These models require modifications to the Reynolds Averaged Navier-Stokes (RANS) equations. The first scheme is a hybrid RANS/LES model utilizing the two-equation (k-epsilon) model with a RANS/LES transition function, dependent on grid spacing and the computed turbulence length scale. The second scheme is a modified version of the partially averaged Navier-Stokes (PANS) formulation. All of these models are implemented in the three-dimensional Navier-Stokes code PAB3D. This paper discusses computational methods, code implementation, computed results for a wide range of nozzle configurations at various operating conditions, and comparisons with available experimental data. Very good agreement is shown between the numerical solutions and available experimental data over a wide range of operating conditions.

Computer simulation studies of the growth of strained layers by molecular-beam epitaxy

NASA Astrophysics Data System (ADS)

Faux, D. A.; Gaynor, G.; Carson, C. L.; Hall, C. K.; Bernholc, J.

1990-08-01

Two new types of discrete-space Monte Carlo computer simulation are presented for the modeling of the early stages of strained-layer growth by molecular-beam epitaxy. The simulations are more economical on computer resources than continuous-space Monte Carlo or molecular dynamics. Each model is applied to the study of growth onto a substrate in two dimensions with use of Lennard-Jones interatomic potentials. Up to seven layers are deposited for a variety of lattice mismatches, temperatures, and growth rates. Both simulations give similar results. At small lattice mismatches (<~4%) the growth is in registry with the substrate, while at high mismatches (>~6%) the growth is incommensurate with the substrate. At intermediate mismatches, a transition from registered to incommensurate growth is observed which commences at the top of the crystal and propagates down to the first layer. Faster growth rates are seen to inhibit this transition. The growth mode is van der Merwe (layer-by-layer) at 2% lattice mismatch, but at larger mismatches Volmer-Weber (island) growth is preferred. The Monte Carlo simulations are assessed in the light of these results and the ease at which they can be extended to three dimensions and to more sophisticated potentials is discussed.

A finite-element model for simulation of two-dimensional steady-state ground-water flow in confined aquifers

USGS Publications Warehouse

Kuniansky, E.L.

1990-01-01

A computer program based on the Galerkin finite-element method was developed to simulate two-dimensional steady-state ground-water flow in either isotropic or anisotropic confined aquifers. The program may also be used for unconfined aquifers of constant saturated thickness. Constant head, constant flux, and head-dependent flux boundary conditions can be specified in order to approximate a variety of natural conditions, such as a river or lake boundary, and pumping well. The computer program was developed for the preliminary simulation of ground-water flow in the Edwards-Trinity Regional aquifer system as part of the Regional Aquifer-Systems Analysis Program. Results of the program compare well to analytical solutions and simulations .from published finite-difference models. A concise discussion of the Galerkin method is presented along with a description of the program. Provided in the Supplemental Data section are a listing of the computer program, definitions of selected program variables, and several examples of data input and output used in verifying the accuracy of the program.

Supersonic propulsion simulation by incorporating component models in the large perturbation inlet (LAPIN) computer code

NASA Technical Reports Server (NTRS)

Cole, Gary L.; Richard, Jacques C.

1991-01-01

An approach to simulating the internal flows of supersonic propulsion systems is presented. The approach is based on a fairly simple modification of the Large Perturbation Inlet (LAPIN) computer code. LAPIN uses a quasi-one dimensional, inviscid, unsteady formulation of the continuity, momentum, and energy equations. The equations are solved using a shock capturing, finite difference algorithm. The original code, developed for simulating supersonic inlets, includes engineering models of unstart/restart, bleed, bypass, and variable duct geometry, by means of source terms in the equations. The source terms also provide a mechanism for incorporating, with the inlet, propulsion system components such as compressor stages, combustors, and turbine stages. This requires each component to be distributed axially over a number of grid points. Because of the distributed nature of such components, this representation should be more accurate than a lumped parameter model. Components can be modeled by performance map(s), which in turn are used to compute the source terms. The general approach is described. Then, simulation of a compressor/fan stage is discussed to show the approach in detail.

Computational carbohydrate chemistry: what theoretical methods can tell us

PubMed Central

Woods, Robert J.

2014-01-01

Computational methods have had a long history of application to carbohydrate systems and their development in this regard is discussed. The conformational analysis of carbohydrates differs in several ways from that of other biomolecules. Many glycans appear to exhibit numerous conformations coexisting in solution at room temperature and a conformational analysis of a carbohydrate must address both spatial and temporal properties. When solution nuclear magnetic resonance data are used for comparison, the simulation must give rise to ensemble-averaged properties. In contrast, when comparing to experimental data obtained from crystal structures a simulation of a crystal lattice, rather than of an isolated molecule, is appropriate. Molecular dynamics simulations are well suited for such condensed phase modeling. Interactions between carbohydrates and other biological macromolecules are also amenable to computational approaches. Having obtained a three-dimensional structure of the receptor protein, it is possible to model with accuracy the conformation of the carbohydrate in the complex. An example of the application of free energy perturbation simulations to the prediction of carbohydrate-protein binding energies is presented. PMID:9579797

Opportunities for Breakthroughs in Large-Scale Computational Simulation and Design

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia; Alter, Stephen J.; Atkins, Harold L.; Bey, Kim S.; Bibb, Karen L.; Biedron, Robert T.; Carpenter, Mark H.; Cheatwood, F. McNeil; Drummond, Philip J.; Gnoffo, Peter A.

2002-01-01

Opportunities for breakthroughs in the large-scale computational simulation and design of aerospace vehicles are presented. Computational fluid dynamics tools to be used within multidisciplinary analysis and design methods are emphasized. The opportunities stem from speedups and robustness improvements in the underlying unit operations associated with simulation (geometry modeling, grid generation, physical modeling, analysis, etc.). Further, an improved programming environment can synergistically integrate these unit operations to leverage the gains. The speedups result from reducing the problem setup time through geometry modeling and grid generation operations, and reducing the solution time through the operation counts associated with solving the discretized equations to a sufficient accuracy. The opportunities are addressed only at a general level here, but an extensive list of references containing further details is included. The opportunities discussed are being addressed through the Fast Adaptive Aerospace Tools (FAAST) element of the Advanced Systems Concept to Test (ASCoT) and the third Generation Reusable Launch Vehicles (RLV) projects at NASA Langley Research Center. The overall goal is to enable greater inroads into the design process with large-scale simulations.

Construction and Utilization of a Beowulf Computing Cluster: A User's Perspective

NASA Technical Reports Server (NTRS)

Woods, Judy L.; West, Jeff S.; Sulyma, Peter R.

2000-01-01

Lockheed Martin Space Operations - Stennis Programs (LMSO) at the John C Stennis Space Center (NASA/SSC) has designed and built a Beowulf computer cluster which is owned by NASA/SSC and operated by LMSO. The design and construction of the cluster are detailed in this paper. The cluster is currently used for Computational Fluid Dynamics (CFD) simulations. The CFD codes in use and their applications are discussed. Examples of some of the work are also presented. Performance benchmark studies have been conducted for the CFD codes being run on the cluster. The results of two of the studies are presented and discussed. The cluster is not currently being utilized to its full potential; therefore, plans are underway to add more capabilities. These include the addition of structural, thermal, fluid, and acoustic Finite Element Analysis codes as well as real-time data acquisition and processing during test operations at NASA/SSC. These plans are discussed as well.

Applications of computer-graphics animation for motion-perception research

NASA Technical Reports Server (NTRS)

Proffitt, D. R.; Kaiser, M. K.

1986-01-01

The advantages and limitations of using computer animated stimuli in studying motion perception are presented and discussed. Most current programs of motion perception research could not be pursued without the use of computer graphics animation. Computer generated displays afford latitudes of freedom and control that are almost impossible to attain through conventional methods. There are, however, limitations to this presentational medium. At present, computer generated displays present simplified approximations of the dynamics in natural events. Very little is known about how the differences between natural events and computer simulations influence perceptual processing. In practice, the differences are assumed to be irrelevant to the questions under study, and that findings with computer generated stimuli will generalize to natural events.

Using parallel computing for the display and simulation of the space debris environment

NASA Astrophysics Data System (ADS)

Möckel, M.; Wiedemann, C.; Flegel, S.; Gelhaus, J.; Vörsmann, P.; Klinkrad, H.; Krag, H.

2011-07-01

Parallelism is becoming the leading paradigm in today's computer architectures. In order to take full advantage of this development, new algorithms have to be specifically designed for parallel execution while many old ones have to be upgraded accordingly. One field in which parallel computing has been firmly established for many years is computer graphics. Calculating and displaying three-dimensional computer generated imagery in real time requires complex numerical operations to be performed at high speed on a large number of objects. Since most of these objects can be processed independently, parallel computing is applicable in this field. Modern graphics processing units (GPUs) have become capable of performing millions of matrix and vector operations per second on multiple objects simultaneously. As a side project, a software tool is currently being developed at the Institute of Aerospace Systems that provides an animated, three-dimensional visualization of both actual and simulated space debris objects. Due to the nature of these objects it is possible to process them individually and independently from each other. Therefore, an analytical orbit propagation algorithm has been implemented to run on a GPU. By taking advantage of all its processing power a huge performance increase, compared to its CPU-based counterpart, could be achieved. For several years efforts have been made to harness this computing power for applications other than computer graphics. Software tools for the simulation of space debris are among those that could profit from embracing parallelism. With recently emerged software development tools such as OpenCL it is possible to transfer the new algorithms used in the visualization outside the field of computer graphics and implement them, for example, into the space debris simulation environment. This way they can make use of parallel hardware such as GPUs and Multi-Core-CPUs for faster computation. In this paper the visualization software will be introduced, including a comparison between the serial and the parallel method of orbit propagation. Ways of how to use the benefits of the latter method for space debris simulation will be discussed. An introduction to OpenCL will be given as well as an exemplary algorithm from the field of space debris simulation.

Using parallel computing for the display and simulation of the space debris environment

NASA Astrophysics Data System (ADS)

Moeckel, Marek; Wiedemann, Carsten; Flegel, Sven Kevin; Gelhaus, Johannes; Klinkrad, Heiner; Krag, Holger; Voersmann, Peter

Parallelism is becoming the leading paradigm in today's computer architectures. In order to take full advantage of this development, new algorithms have to be specifically designed for parallel execution while many old ones have to be upgraded accordingly. One field in which parallel computing has been firmly established for many years is computer graphics. Calculating and displaying three-dimensional computer generated imagery in real time requires complex numerical operations to be performed at high speed on a large number of objects. Since most of these objects can be processed independently, parallel computing is applicable in this field. Modern graphics processing units (GPUs) have become capable of performing millions of matrix and vector operations per second on multiple objects simultaneously. As a side project, a software tool is currently being developed at the Institute of Aerospace Systems that provides an animated, three-dimensional visualization of both actual and simulated space debris objects. Due to the nature of these objects it is possible to process them individually and independently from each other. Therefore, an analytical orbit propagation algorithm has been implemented to run on a GPU. By taking advantage of all its processing power a huge performance increase, compared to its CPU-based counterpart, could be achieved. For several years efforts have been made to harness this computing power for applications other than computer graphics. Software tools for the simulation of space debris are among those that could profit from embracing parallelism. With recently emerged software development tools such as OpenCL it is possible to transfer the new algorithms used in the visualization outside the field of computer graphics and implement them, for example, into the space debris simulation environment. This way they can make use of parallel hardware such as GPUs and Multi-Core-CPUs for faster computation. In this paper the visualization software will be introduced, including a comparison between the serial and the parallel method of orbit propagation. Ways of how to use the benefits of the latter method for space debris simulation will be discussed. An introduction of OpenCL will be given as well as an exemplary algorithm from the field of space debris simulation.