WorldWideScience

Sample records for computer simulation study

  1. Computer Simulation Studies of Trishomocubane Heptapeptide of ...

    African Journals Online (AJOL)

    NICO

    Trishomocubane, molecular dynamics, Amber, CLASICO, β-turn, α-helical. 1. Introduction .... MD simulations of Ac-Ala3-Tris-Ala3-NHMe explicitly in MEOH. 3. Results and .... worthwhile to group all conformations into clusters according to.

  2. Computer Simulation Studies of Trishomocubane Heptapeptide of ...

    African Journals Online (AJOL)

    As part of an extension on the cage peptide chemistry, the present work involves an assessment of the conformational profile of trishomocubane heptapeptide of the type Ac-Ala3-Tris-Ala3-NHMe using molecular dynamics (MD) simulations. All MD protocols were explored within the framework of a molecular mechanics ...

  3. Computer simulation studies in condensed-matter physics 5. Proceedings

    International Nuclear Information System (INIS)

    Landau, D.P.; Mon, K.K.; Schuettler, H.B.

    1993-01-01

    As the role of computer simulations began to increase in importance, we sensed a need for a ''meeting place'' for both experienced simulators and neophytes to discuss new techniques and results in an environment which promotes extended discussion. As a consequence of these concerns, The Center for Simulational Physics established an annual workshop on Recent Developments in Computer Simulation Studies in Condensed-Matter Physics. This year's workshop was the fifth in this series and the interest which the scientific community has shown demonstrates quite clearly the useful purpose which the series has served. The workshop was held at the University of Georgia, February 17-21, 1992, and these proceedings from a record of the workshop which is published with the goal of timely dissemination of the papers to a wider audience. The proceedings are divided into four parts. The first part contains invited papers which deal with simulational studies of classical systems and includes an introduction to some new simulation techniques and special purpose computers as well. A separate section of the proceedings is devoted to invited papers on quantum systems including new results for strongly correlated electron and quantum spin models. The third section is comprised of a single, invited description of a newly developed software shell designed for running parallel programs. The contributed presentations comprise the final chapter. (orig.). 79 figs

  4. Mathematical and computational modeling and simulation fundamentals and case studies

    CERN Document Server

    Moeller, Dietmar P F

    2004-01-01

    Mathematical and Computational Modeling and Simulation - a highly multi-disciplinary field with ubiquitous applications in science and engineering - is one of the key enabling technologies of the 21st century. This book introduces to the use of Mathematical and Computational Modeling and Simulation in order to develop an understanding of the solution characteristics of a broad class of real-world problems. The relevant basic and advanced methodologies are explained in detail, with special emphasis on ill-defined problems. Some 15 simulation systems are presented on the language and the logical level. Moreover, the reader can accumulate experience by studying a wide variety of case studies. The latter are briefly described within the book but their full versions as well as some simulation software demos are available on the Web. The book can be used for University courses of different level as well as for self-study. Advanced sections are marked and can be skipped in a first reading or in undergraduate courses...

  5. Studies on defect evolution in steels: experiments and computer simulations

    International Nuclear Information System (INIS)

    Sundar, C.S.

    2011-01-01

    In this paper, we present the results of our on-going studies on steels that are being carried out with a view to develop radiation resistant steels. The focus is on the use of nano-dispersoids in alloys towards the suppression of void formation and eventual swelling under irradiation. Results on the nucleation and growth of TiC precipitates in Ti modified austenitic steels and investigations on nano Yttria particles in Fe - a model oxide dispersion ferritic steel will be presented. The experimental methods of ion beam irradiation and positron annihilation spectroscopy have been used to elucidate the role of minor alloying elements on swelling behaviour. Computer simulation of defect processes have been carried out using ab-initio methods, molecular dynamics and Monte Carlo simulations. Our perspectives on addressing the multi-scale phenomena of defect processes leading to radiation damage, through a judicious combination of experiments and simulations, would be presented. (author)

  6. COMPARATIVE STUDY OF TERTIARY WASTEWATER TREATMENT BY COMPUTER SIMULATION

    Directory of Open Access Journals (Sweden)

    Stefania Iordache

    2010-01-01

    Full Text Available The aim of this work is to asses conditions for implementation of a Biological Nutrient Removal (BNR process in theWastewater Treatment Plant (WWTP of Moreni city (Romania. In order to meet the more increased environmentalregulations, the wastewater treatment plant that was studied, must update the actual treatment process and have tomodernize it. A comparative study was undertaken of the quality of effluents that could be obtained by implementationof biological nutrient removal process like A2/O (Anaerobic/Anoxic/Oxic and VIP (Virginia Plant Initiative aswastewater tertiary treatments. In order to asses the efficiency of the proposed treatment schemata based on the datamonitored at the studied WWTP, it were realized computer models of biological nutrient removal configurations basedon A2/O and VIP process. Computer simulation was realized using a well-known simulator, BioWin by EnviroSimAssociates Ltd. The simulation process allowed to obtain some data that can be used in design of a tertiary treatmentstage at Moreni WWTP, in order to increase the efficiency in operation.

  7. Validation and computing and performance studies for the ATLAS simulation

    CERN Document Server

    Marshall, Z; The ATLAS collaboration

    2009-01-01

    We present the validation of the ATLAS simulation software pro ject. Software development is controlled by nightly builds and several levels of automatic tests to ensure stability. Computing validation, including CPU time, memory, and disk space required per event, is benchmarked for all software releases. Several different physics processes and event types are checked to thoroughly test all aspects of the detector simulation. The robustness of the simulation software is demonstrated by the production of 500 million events on the World-wide LHC Computing Grid in the last year.

  8. Simulation of quantum computers

    NARCIS (Netherlands)

    De Raedt, H; Michielsen, K; Hams, AH; Miyashita, S; Saito, K; Landau, DP; Lewis, SP; Schuttler, HB

    2001-01-01

    We describe a simulation approach to study the functioning of Quantum Computer hardware. The latter is modeled by a collection of interacting spin-1/2 objects. The time evolution of this spin system maps one-to-one to a quantum program carried out by the Quantum Computer. Our simulation software

  9. Simulation of quantum computers

    NARCIS (Netherlands)

    Raedt, H. De; Michielsen, K.; Hams, A.H.; Miyashita, S.; Saito, K.

    2000-01-01

    We describe a simulation approach to study the functioning of Quantum Computer hardware. The latter is modeled by a collection of interacting spin-1/2 objects. The time evolution of this spin system maps one-to-one to a quantum program carried out by the Quantum Computer. Our simulation software

  10. A model ecosystem experiment and its computational simulation studies

    International Nuclear Information System (INIS)

    Doi, M.

    2002-01-01

    Simplified microbial model ecosystem and its computer simulation model are introduced as eco-toxicity test for the assessment of environmental responses from the effects of environmental impacts. To take the effects on the interactions between species and environment into account, one option is to select the keystone species on the basis of ecological knowledge, and to put it in the single-species toxicity test. Another option proposed is to put the eco-toxicity tests as experimental micro ecosystem study and a theoretical model ecosystem analysis. With these tests, the stressors which are more harmful to the ecosystems should be replace with less harmful ones on the basis of unified measures. Management of radioactive materials, chemicals, hyper-eutrophic, and other artificial disturbances of ecosystem should be discussed consistently from the unified view point of environmental protection. (N.C.)

  11. Computer Simulation Studies of Ion Channels at High Temperatures

    Science.gov (United States)

    Song, Hyun Deok

    The gramicidin channel is the smallest known biological ion channel, and it exhibits cation selectivity. Recently, Dr. John Cuppoletti's group at the University of Cincinnati showed that the gramicidin channel can function at high temperatures (360 ˜ 380K) with significant currents. This finding may have significant implications for fuel cell technology. In this thesis, we have examined the gramicidin channel at 300K, 330K, and 360K by computer simulation. We have investigated how the temperature affects the current and differences in magnitude of free energy between the two gramicidin forms, the helical dimer (HD) and the double helix (DH). A slight decrease of the free energy barrier inside the gramicidin channel and increased diffusion at high temperatures result in an increase of current. An applied external field of 0.2V/nm along the membrane normal results in directly observable ion transport across the channels at high temperatures for both HD and DH forms. We found that higher temperatures also affect the probability distribution of hydrogen bonds, the bending angle, the distance between dimers, and the size of the pore radius for the helical dimer structure. These findings may be related to the gating of the gramicidin channel. Methanococcus jannaschii (MJ) is a methane-producing thermophile, which was discovered at a depth of 2600m in a Pacific Ocean vent in 1983. It has the ability to thrive at high temperatures and high pressures, which are unfavorable for most life forms. There have been some experiments to study its stability under extreme conditions, but still the origin of the stability of MJ is not exactly known. MJ0305 is the chloride channel protein from the thermophile MJ. After generating a structure of MJ0305 by homology modeling based on the Ecoli ClC templates, we examined the thermal stability, and the network stability from the change of network entropy calculated from the adjacency matrices of the protein. High temperatures increase the

  12. The TESS [Tandem Experiment Simulation Studies] computer code user's manual

    International Nuclear Information System (INIS)

    Procassini, R.J.

    1990-01-01

    TESS (Tandem Experiment Simulation Studies) is a one-dimensional, bounded particle-in-cell (PIC) simulation code designed to investigate the confinement and transport of plasma in a magnetic mirror device, including tandem mirror configurations. Mirror plasmas may be modeled in a system which includes an applied magnetic field and/or a self-consistent or applied electrostatic potential. The PIC code TESS is similar to the PIC code DIPSI (Direct Implicit Plasma Surface Interactions) which is designed to study plasma transport to and interaction with a solid surface. The codes TESS and DIPSI are direct descendants of the PIC code ES1 that was created by A. B. Langdon. This document provides the user with a brief description of the methods used in the code and a tutorial on the use of the code. 10 refs., 2 tabs

  13. Seventeenth Workshop on Computer Simulation Studies in Condensed-Matter Physics

    CERN Document Server

    Landau, David P; Schütler, Heinz-Bernd; Computer Simulation Studies in Condensed-Matter Physics XVI

    2006-01-01

    This status report features the most recent developments in the field, spanning a wide range of topical areas in the computer simulation of condensed matter/materials physics. Both established and new topics are included, ranging from the statistical mechanics of classical magnetic spin models to electronic structure calculations, quantum simulations, and simulations of soft condensed matter. The book presents new physical results as well as novel methods of simulation and data analysis. Highlights of this volume include various aspects of non-equilibrium statistical mechanics, studies of properties of real materials using both classical model simulations and electronic structure calculations, and the use of computer simulations in teaching.

  14. The Impact of Learner's Prior Knowledge on Their Use of Chemistry Computer Simulations: A Case Study

    Science.gov (United States)

    Liu, Han-Chin; Andre, Thomas; Greenbowe, Thomas

    2008-01-01

    It is complicated to design a computer simulation that adapts to students with different characteristics. This study documented cases that show how college students' prior chemistry knowledge level affected their interaction with peers and their approach to solving problems with the use of computer simulations that were designed to learn…

  15. Computer simulation study of water using a fluctuating charge model

    Indian Academy of Sciences (India)

    Unknown

    Typically, the simulated diffusion constants are larger, and relaxation times smaller than .... where λi is the Lagrange multiplier for the charge neutrality constraint. As the .... For a geometrically rigid model such as SPC, the integral turns out to ...

  16. Scientific computer simulation review

    International Nuclear Information System (INIS)

    Kaizer, Joshua S.; Heller, A. Kevin; Oberkampf, William L.

    2015-01-01

    Before the results of a scientific computer simulation are used for any purpose, it should be determined if those results can be trusted. Answering that question of trust is the domain of scientific computer simulation review. There is limited literature that focuses on simulation review, and most is specific to the review of a particular type of simulation. This work is intended to provide a foundation for a common understanding of simulation review. This is accomplished through three contributions. First, scientific computer simulation review is formally defined. This definition identifies the scope of simulation review and provides the boundaries of the review process. Second, maturity assessment theory is developed. This development clarifies the concepts of maturity criteria, maturity assessment sets, and maturity assessment frameworks, which are essential for performing simulation review. Finally, simulation review is described as the application of a maturity assessment framework. This is illustrated through evaluating a simulation review performed by the U.S. Nuclear Regulatory Commission. In making these contributions, this work provides a means for a more objective assessment of a simulation’s trustworthiness and takes the next step in establishing scientific computer simulation review as its own field. - Highlights: • We define scientific computer simulation review. • We develop maturity assessment theory. • We formally define a maturity assessment framework. • We describe simulation review as the application of a maturity framework. • We provide an example of a simulation review using a maturity framework

  17. A computer simulation study of tilted smectic mesophases

    International Nuclear Information System (INIS)

    Withers, I.M.

    2000-05-01

    Results are presented from a series of simulations undertaken to determine the effect of a novel form of molecular biaxiality upon the phase behaviour of the well established Gay-Berne (GB) liquid crystal model. Firstly, the simulation of a bulk system interacting via the Internally-Rotated Gay Berne (IRGB) potential, which offers a single-site representation of a molecule rigidly constrained into a zig-zag conformation, is presented. The results of simulations performed for systems of IRGB particles with an aspect ratio of 3:1 confirm that the introduction of biaxiality into the model results in the destabilisation of the orientationally ordered phases. For particles with a sufficiently pronounced zig-zag conformation, this results in the complete destabilisation of the smectic A phase and the smectic B phase being replaced by the tilted smectic J phase. Following these observations, the effect upon the phase behaviour of increasing molecular elongation is also considered, with an increase in the aspect ratio from 3:1 to 4:1 resulting in the nematic and smectic J phases being replaced by smectic A and smectic G phases respectively. Secondly, a version of the IRGB potential modified to include a degree of molecular flexibility is considered. Results obtained from bulk systems interacting via the flexible IRGB for 3:1 and 4:1 molecules show that the introduction of flexibility results in the destabilisation of the smectic A phase and the stabilisation of the nematic and tilted hexatic phases. Finally, the effect upon the phase behaviour of the rigid IRGB model of the inclusion of a longitudinal linear quadrupole is examined. These results show that increasing quadrupole moment results in the destabilisation of the tilted hexatic phase, although the biaxial order parameter is increased with increasing quadrupole moment. There is no clear correlation between quadrupole magnitude and the other observed phase transitions, with the nematic and smectic A phases being

  18. Hybrid Computational Simulation and Study of Terahertz Pulsed Photoconductive Antennas

    Science.gov (United States)

    Emadi, R.; Barani, N.; Safian, R.; Nezhad, A. Zeidaabadi

    2016-11-01

    A photoconductive antenna (PCA) has been numerically investigated in the terahertz (THz) frequency band based on a hybrid simulation method. This hybrid method utilizes an optoelectronic solver, Silvaco TCAD, and a full-wave electromagnetic solver, CST. The optoelectronic solver is used to find the accurate THz photocurrent by considering realistic material parameters. Performance of photoconductive antennas and temporal behavior of the excited photocurrent for various active region geometries such as bare-gap electrode, interdigitated electrodes, and tip-to-tip rectangular electrodes are investigated. Moreover, investigations have been done on the center of the laser illumination on the substrate, substrate carrier lifetime, and diffusion photocurrent associated with the carriers temperature, to achieve efficient and accurate photocurrent. Finally, using the full-wave electromagnetic solver and the calculated photocurrent obtained from the optoelectronic solver, electromagnetic radiation of the antenna and its associated detected THz signal are calculated and compared with a measurement reference for verification.

  19. Parallel reservoir simulator computations

    International Nuclear Information System (INIS)

    Hemanth-Kumar, K.; Young, L.C.

    1995-01-01

    The adaptation of a reservoir simulator for parallel computations is described. The simulator was originally designed for vector processors. It performs approximately 99% of its calculations in vector/parallel mode and relative to scalar calculations it achieves speedups of 65 and 81 for black oil and EOS simulations, respectively on the CRAY C-90

  20. COMPARATIVE STUDY OF TERTIARY WASTEWATER TREATMENT BY COMPUTER SIMULATION

    OpenAIRE

    Stefania Iordache; Nicolae Petrescu; Cornel Ianache

    2010-01-01

    The aim of this work is to asses conditions for implementation of a Biological Nutrient Removal (BNR) process in theWastewater Treatment Plant (WWTP) of Moreni city (Romania). In order to meet the more increased environmentalregulations, the wastewater treatment plant that was studied, must update the actual treatment process and have tomodernize it. A comparative study was undertaken of the quality of effluents that could be obtained by implementationof biological nutrient removal process li...

  1. Eighteenth Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics

    CERN Document Server

    Landau, David P; Schüttler, Heinz-Bernd; Computer Simulation Studies in Condensed-Matter Physics XVIII

    2006-01-01

    This volume represents a "status report" emanating from presentations made during the 18th Annual Workshop on Computer Simulations Studies in Condensed Matter Physics at the Center for Simulational Physics at the University of Georgia in March 2005. It provides a broad overview of the most recent advances in the field, spanning the range from statistical physics to soft condensed matter and biological systems. Results on nanostructures and materials are included as are several descriptions of advances in quantum simulations and quantum computing as well as.methodological advances.

  2. Computer simulation studies of high energy collision cascades

    International Nuclear Information System (INIS)

    Robinson, M.T.

    1991-07-01

    A modified binary collision approximation allowing the proper order of the collisions in time was used to study cascades in Cu and Au at primary kinetic energies up to 100 keV. Nonlinearities were approximated by letting already-stopped cascade atoms become targets in later collisions, using an improved method of locating potential targets to extend the calculations to energies much higher than heretofore. Beside the effect of the approximate nonlinearity, the effect of thermal disorder in the targets was examined. Target redisplacements reduce the damage in Cu by 3% at most, but in Au they reduce it by amounts up to 20% at 100 keV. Thermal disorder is also important: by disrupting crystal effects, the damage is reduced significantly. 11 refs., 4 figs

  3. Static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation.

    Science.gov (United States)

    Liu, Jun; Zhang, Liqun; Cao, Dapeng; Wang, Wenchuan

    2009-12-28

    Polymer nanocomposites (PNCs) often exhibit excellent mechanical, thermal, electrical and optical properties, because they combine the performances of both polymers and inorganic or organic nanoparticles. Recently, computer modeling and simulation are playing an important role in exploring the reinforcement mechanism of the PNCs and even the design of functional PNCs. This report provides an overview of the progress made in past decades in the investigation of the static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation. Emphases are placed on exploring the mechanisms at the molecular level for the dispersion of nanoparticles in nanocomposites, the effects of nanoparticles on chain conformation and glass transition temperature (T(g)), as well as viscoelastic and mechanical properties. Finally, some future challenges and opportunities in computer modeling and simulation of PNCs are addressed.

  4. Learning Support Assessment Study of a Computer Simulation for the Development of Microbial Identification Strategies

    Directory of Open Access Journals (Sweden)

    Tristan E. Johnson

    2009-12-01

    Full Text Available This paper describes a study that examined how microbiology students construct knowledge of bacterial identification while using a computer simulation. The purpose of this study was to understand how the simulation affects the cognitive processing of students during thinking, problem solving, and learning about bacterial identification and to determine how the simulation facilitates the learning of a domain-specific problem-solving strategy. As part of an upper-division microbiology course, five students participated in several simulation assignments. The data were collected using think-aloud protocol and video action logs as the students used the simulation. The analysis revealed two major themes that determined the performance of the students: Simulation Usage—how the students used the software features and Problem-Solving Strategy Development—the strategy level students started with and the skill level they achieved when they completed their use of the simulation. Several conclusions emerged from the analysis of the data: (i The simulation affects various aspects of cognitive processing by creating an environment that makes it possible to practice the application of a problem-solving strategy. The simulation was used as an environment that allowed students to practice the cognitive skills required to solve an unknown. (ii Identibacter (the computer simulation may be considered to be a cognitive tool to facilitate the learning of a bacterial identification problem-solving strategy. (iii The simulation characteristics did support student learning of a problem-solving strategy. (iv Students demonstrated problem-solving strategy development specific to bacterial identification. (v Participants demonstrated an improved performance from their repeated use of the simulation.

  5. Study on computer-aided simulation procedure for multicomponent separating cascade

    International Nuclear Information System (INIS)

    Kinoshita, Masahiro

    1982-11-01

    The present report reviews the author's study on the computer-aided simulation procedure for a multicomponent separating cascade. As a conclusion, two very powerful simulation procedures have been developed for cascades composed of separating elements whose separation factors are very large. They are applicable in cases where interstage flow rates are input variables for the calculation and stage separation factors are given either as constants or as functions of compositions of the up and down streams. As an application of the new procedure, a computer-aided simulation study has been performed for hydrogen isotope separating cascades by porous membrane method. A cascade system configuration is developed and pertinent design specifications are determined in an example case of the feed conditions and separation requirements. (author)

  6. Computer Modeling and Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Pronskikh, V. S. [Fermilab

    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 impossible 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

  7. Computer Simulation Western

    International Nuclear Information System (INIS)

    Rasmussen, H.

    1992-01-01

    Computer Simulation Western is a unit within the Department of Applied Mathematics at the University of Western Ontario. Its purpose is the development of computational and mathematical methods for practical problems in industry and engineering and the application and marketing of such methods. We describe the unit and our efforts at obtaining research and development grants. Some representative projects will be presented and future plans discussed. (author)

  8. Accelerator simulation using computers

    International Nuclear Information System (INIS)

    Lee, M.; Zambre, Y.; Corbett, W.

    1992-01-01

    Every accelerator or storage ring system consists of a charged particle beam propagating through a beam line. Although a number of computer programs exits that simulate the propagation of a beam in a given beam line, only a few provide the capabilities for designing, commissioning and operating the beam line. This paper shows how a ''multi-track'' simulation and analysis code can be used for these applications

  9. Advanced computers and simulation

    International Nuclear Information System (INIS)

    Ryne, R.D.

    1993-01-01

    Accelerator physicists today have access to computers that are far more powerful than those available just 10 years ago. In the early 1980's, desktop workstations performed less one million floating point operations per second (Mflops), and the realized performance of vector supercomputers was at best a few hundred Mflops. Today vector processing is available on the desktop, providing researchers with performance approaching 100 Mflops at a price that is measured in thousands of dollars. Furthermore, advances in Massively Parallel Processors (MPP) have made performance of over 10 gigaflops a reality, and around mid-decade MPPs are expected to be capable of teraflops performance. Along with advances in MPP hardware, researchers have also made significant progress in developing algorithms and software for MPPS. These changes have had, and will continue to have, a significant impact on the work of computational accelerator physicists. Now, instead of running particle simulations with just a few thousand particles, we can perform desktop simulations with tens of thousands of simulation particles, and calculations with well over 1 million particles are being performed on MPPs. In the area of computational electromagnetics, simulations that used to be performed only on vector supercomputers now run in several hours on desktop workstations, and researchers are hoping to perform simulations with over one billion mesh points on future MPPs. In this paper we will discuss the latest advances, and what can be expected in the near future, in hardware, software and applications codes for advanced simulation of particle accelerators

  10. In-cylinder diesel spray combustion simulations using parallel computation: A performance benchmarking study

    International Nuclear Information System (INIS)

    Pang, Kar Mun; Ng, Hoon Kiat; Gan, Suyin

    2012-01-01

    Highlights: ► A performance benchmarking exercise is conducted for diesel combustion simulations. ► The reduced chemical mechanism shows its advantages over base and skeletal models. ► High efficiency and great reduction of CPU runtime are achieved through 4-node solver. ► Increasing ISAT memory from 0.1 to 2 GB reduces the CPU runtime by almost 35%. ► Combustion and soot processes are predicted well with minimal computational cost. - Abstract: In the present study, in-cylinder diesel combustion simulation was performed with parallel processing on an Intel Xeon Quad-Core platform to allow both fluid dynamics and chemical kinetics of the surrogate diesel fuel model to be solved simultaneously on multiple processors. Here, Cartesian Z-Coordinate was selected as the most appropriate partitioning algorithm since it computationally bisects the domain such that the dynamic load associated with fuel particle tracking was evenly distributed during parallel computations. Other variables examined included number of compute nodes, chemistry sizes and in situ adaptive tabulation (ISAT) parameters. Based on the performance benchmarking test conducted, parallel configuration of 4-compute node was found to reduce the computational runtime most efficiently whereby a parallel efficiency of up to 75.4% was achieved. The simulation results also indicated that accuracy level was insensitive to the number of partitions or the partitioning algorithms. The effect of reducing the number of species on computational runtime was observed to be more significant than reducing the number of reactions. Besides, the study showed that an increase in the ISAT maximum storage of up to 2 GB reduced the computational runtime by 50%. Also, the ISAT error tolerance of 10 −3 was chosen to strike a balance between results accuracy and computational runtime. The optimised parameters in parallel processing and ISAT, as well as the use of the in-house reduced chemistry model allowed accurate

  11. Computer Simulation of Reading.

    Science.gov (United States)

    Leton, Donald A.

    In recent years, coding and decoding have been claimed to be the processes for converting one language form to another. But there has been little effort to locate these processes in the human learner or to identify the nature of the internal codes. Computer simulation of reading is useful because the similarities in the human reception and…

  12. Evaluation of the optimum region for mammographic system using computer simulation to study modulation transfer functions

    International Nuclear Information System (INIS)

    Oliveira, Isaura N. Sombra; Schiable, Homero; Porcel, Naider T.; Frere, Annie F.; Marques, Paulo M.A.

    1996-01-01

    An investigation of the 'optimum region' of the radiation field considering mammographic systems is studied. Such a region was defined in previous works as the field range where the system has its best performance and sharpest images. This study is based on a correlation of two methods for evaluating radiologic imaging systems, both using computer simulation in order to determine modulation transfer functions (MTFs) due to the X-ray tube focal spot in several field orientation and locations

  13. A resource letter CSSMD-1: computer simulation studies by the method of molecular dynamics

    International Nuclear Information System (INIS)

    Goel, S.P.; Hockney, R.W.

    1974-01-01

    A comprehensive bibliography on computer simulation studies by the method of Molecular Dynamics is presented. The bibliography includes references to relevant literature published up to mid 1973, starting from the first paper of Alder and Wainwright, published in 1957. The procedure of the method of Molecular Dynamics, the main fields of study in which it has been used, its limitations and how these have been overcome in some cases are also discussed [pt

  14. Structure, dynamics, and function of the monooxygenase P450 BM-3: insights from computer simulations studies

    International Nuclear Information System (INIS)

    Roccatano, Danilo

    2015-01-01

    The monooxygenase P450 BM-3 is a NADPH-dependent fatty acid hydroxylase enzyme isolated from soil bacterium Bacillus megaterium. As a pivotal member of cytochrome P450 superfamily, it has been intensely studied for the comprehension of structure–dynamics–function relationships in this class of enzymes. In addition, due to its peculiar properties, it is also a promising enzyme for biochemical and biomedical applications. However, despite the efforts, the full understanding of the enzyme structure and dynamics is not yet achieved. Computational studies, particularly molecular dynamics (MD) simulations, have importantly contributed to this endeavor by providing new insights at an atomic level regarding the correlations between structure, dynamics, and function of the protein. This topical review summarizes computational studies based on MD simulations of the cytochrome P450 BM-3 and gives an outlook on future directions. (topical review)

  15. Validation study of a computer-based open surgical trainer: SimPraxis(®) simulation platform.

    Science.gov (United States)

    Tran, Linh N; Gupta, Priyanka; Poniatowski, Lauren H; Alanee, Shaheen; Dall'era, Marc A; Sweet, Robert M

    2013-01-01

    Technological advances have dramatically changed medical education, particularly in the era of work-hour restrictions, which increasingly highlights a need for novel methods to teach surgical skills. The purpose of this study was to evaluate the validity of a novel, computer-based, interactive, cognitive simulator for training surgeons to perform pelvic lymph node dissection (PLND). Eight prostate cancer experts evaluated the content of the simulator. Contextual aspects of the simulator were rated on a five-point Likert scale. The experts and nine first-year residents completed a simulated PLND. Time and deviations were logged, and the results were compared between experts and novices using the Mann-Whitney test. Before training, 88% of the experts felt that a validated simulator would be useful for PLND training. After testing, 100% of the experts felt that it would be more useful than standard video training. Eighty-eight percent stated that they would like to see the simulator in the curriculum of residency programs and 56% thought it would be useful for accreditation purposes. The experts felt that the simulator aided in overall understanding, training indications, concepts and steps of the procedure, training how to use an assistant, and enhanced the knowledge of anatomy. Median performance times taken by experts and interns to complete a PLND procedure on the simulator were 12.62 and 23.97 minutes, respectively. Median deviation from the incorporated procedure pathway for experts was 24.5 and was 89 for novices. We describe an interactive, computer-based simulator designed to assist in mastery of the cognitive steps of an open surgical procedure. This platform is intuitive and flexible, and could be applied to any stepwise medical procedure. Overall, experts outperformed novices in their performance on the trainer. Experts agreed that the content was acceptable, accurate, and representative.

  16. 29th Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics

    International Nuclear Information System (INIS)

    2016-01-01

    Thirty years ago, because of the dramatic increase in the power and utility of computer simulations, The University of Georgia formed the first institutional unit devoted to the application of simulations in research and teaching: The Center for Simulational Physics. Then, as the international simulations community expanded further, we sensed the need for a meeting place for both experienced simulators and newcomers to discuss inventive algorithms and recent results in an environment that promoted lively discussion. As a consequence, the Center for Simulational Physics established an annual workshop series on Recent Developments in Computer Simulation Studies in Condensed Matter Physics. This year's highly interactive workshop was the 29th in the series marking our efforts to promote high quality research in simulational physics. The continued interest shown by the scientific community amply demonstrates the useful purpose that these meetings have served. The latest workshop was held at The University of Georgia from February 22-26, 2016. It served to mark the 30 th Anniversary of the founding of the Center for Simulational Physics. In addition, during this Workshop we celebrated the 60 th birthday of our esteemed colleague Prof. H.-Bernd Schuttler. Bernd has not only contributed to the understanding of strongly correlated electron system, but has made seminal contributions to systems biology through the introduction of modern methods of computational physics. These Proceedings provide a “status report” on a number of important topics. This on-line “volume” is published with the goal of timely dissemination of the material to a wider audience. This program was supported in part by the President's Venture Fund through the generous gifts of the University of Georgia Partners and other donors. We also wish to offer thanks to the Office of the Vice-President for Research, the Franklin College of Arts and Sciences, and the IBM Corporation for partial

  17. Computer security simulation

    International Nuclear Information System (INIS)

    Schelonka, E.P.

    1979-01-01

    Development and application of a series of simulation codes used for computer security analysis and design are described. Boolean relationships for arrays of barriers within functional modules are used to generate composite effectiveness indices. The general case of multiple layers of protection with any specified barrier survival criteria is given. Generalized reduction algorithms provide numerical security indices in selected subcategories and for the system as a whole. 9 figures, 11 tables

  18. Computer Simulations and Theoretical Studies of Complex Systems: from complex fluids to frustrated magnets

    Science.gov (United States)

    Choi, Eunsong

    Computer simulations are an integral part of research in modern condensed matter physics; they serve as a direct bridge between theory and experiment by systemactically applying a microscopic model to a collection of particles that effectively imitate a macroscopic system. In this thesis, we study two very differnt condensed systems, namely complex fluids and frustrated magnets, primarily by simulating classical dynamics of each system. In the first part of the thesis, we focus on ionic liquids (ILs) and polymers--the two complementary classes of materials that can be combined to provide various unique properties. The properties of polymers/ILs systems, such as conductivity, viscosity, and miscibility, can be fine tuned by choosing an appropriate combination of cations, anions, and polymers. However, designing a system that meets a specific need requires a concrete understanding of physics and chemistry that dictates a complex interplay between polymers and ionic liquids. In this regard, molecular dynamics (MD) simulation is an efficient tool that provides a molecular level picture of such complex systems. We study the behavior of Poly (ethylene oxide) (PEO) and the imidazolium based ionic liquids, using MD simulations and statistical mechanics. We also discuss our efforts to develop reliable and efficient classical force-fields for PEO and the ionic liquids. The second part is devoted to studies on geometrically frustrated magnets. In particular, a microscopic model, which gives rise to an incommensurate spiral magnetic ordering observed in a pyrochlore antiferromagnet is investigated. The validation of the model is made via a comparison of the spin-wave spectra with the neutron scattering data. Since the standard Holstein-Primakoff method is difficult to employ in such a complex ground state structure with a large unit cell, we carry out classical spin dynamics simulations to compute spin-wave spectra directly from the Fourier transform of spin trajectories. We

  19. Plastic deformation of crystals: analytical and computer simulation studies of dislocation glide

    International Nuclear Information System (INIS)

    Altintas, S.

    1978-05-01

    The plastic deformation of crystals is usually accomplished through the motion of dislocations. The glide of a dislocation is impelled by the applied stress and opposed by microstructural defects such as point defects, voids, precipitates and other dislocations. The planar glide of a dislocation through randomly distributed obstacles is considered. The objective of the present research work is to calculate the critical resolved shear stress (CRSS) for athermal glide and the velocity of the dislocation at finite temperature as a function of the applied stress and the nature and strength of the obstacles. Dislocation glide through mixtures of obstacles has been studied analytically and by computer simulation. Arrays containing two kinds of obstacles as well as square distribution of obstacle strengths are considered. The critical resolved shear stress for an array containing obstacles with a given distribution of strengths is calculated using the sum of the quadratic mean of the stresses for the individual obstacles and is found to be in good agreement with the computer simulation data. Computer simulation of dislocation glide through randomly distributed obstacles containing up to 10 6 obstacles show that the CRSS decreases as the size of the array increases and approaches a limiting value. Histograms of forces and of segment lengths are obtained and compared with theoretical predictions. Effects of array shape and boundary conditions on the dislocation glide are also studied. Analytical and computer simulation results are compared with experimental results obtained on precipitation-, irradiation-, forest-, and impurity cluster-hardening systems and are found to be in good agreement

  20. Plastic deformation of crystals: analytical and computer simulation studies of dislocation glide

    Energy Technology Data Exchange (ETDEWEB)

    Altintas, S.

    1978-05-01

    The plastic deformation of crystals is usually accomplished through the motion of dislocations. The glide of a dislocation is impelled by the applied stress and opposed by microstructural defects such as point defects, voids, precipitates and other dislocations. The planar glide of a dislocation through randomly distributed obstacles is considered. The objective of the present research work is to calculate the critical resolved shear stress (CRSS) for athermal glide and the velocity of the dislocation at finite temperature as a function of the applied stress and the nature and strength of the obstacles. Dislocation glide through mixtures of obstacles has been studied analytically and by computer simulation. Arrays containing two kinds of obstacles as well as square distribution of obstacle strengths are considered. The critical resolved shear stress for an array containing obstacles with a given distribution of strengths is calculated using the sum of the quadratic mean of the stresses for the individual obstacles and is found to be in good agreement with the computer simulation data. Computer simulation of dislocation glide through randomly distributed obstacles containing up to 10/sup 6/ obstacles show that the CRSS decreases as the size of the array increases and approaches a limiting value. Histograms of forces and of segment lengths are obtained and compared with theoretical predictions. Effects of array shape and boundary conditions on the dislocation glide are also studied. Analytical and computer simulation results are compared with experimental results obtained on precipitation-, irradiation-, forest-, and impurity cluster-hardening systems and are found to be in good agreement.

  1. Digitalized design of extraforaminal lumbar interbody fusion: a computer-based simulation and cadaveric study.

    Directory of Open Access Journals (Sweden)

    Mingjie Yang

    Full Text Available PURPOSE: This study aims to investigate the feasibility of a novel lumbar approach named extraforaminal lumbar interbody fusion (ELIF, a newly emerging minimally invasive technique for treating degenerative lumbar disorders, using a digitalized simulation and a cadaveric study. METHODS: The ELIF surgical procedure was simulated using the Mimics surgical simulator and included dissection of the superior articular process, dilation of the vertebral foramen, and placement of pedicle screws and a cage. ELIF anatomical measures were documented using a digitalized technique and subsequently validated on fresh cadavers. RESULTS: The use of the Mimics allowed for the vivid simulation of ELIF surgical procedures, while the cadaveric study proved the feasibility of this novel approach. ELIF had a relatively lateral access approach that was located 8-9 cm lateral to the median line with an access depth of approximately 9 cm through the intermuscular space. Dissection of the superior articular processes could fully expose the target intervertebral discs and facilitate a more inclined placement of the pedicle screws and cage with robust enhancement. CONCLUSIONS: According to the computer-based simulation and cadaveric study, it is feasible to perform ELIF. Further research including biomechanical study is needed to prove ELIF has a superior ability to preserve the posterior tension bands of the spinal column, with similar effects on spinal decompression, fixation, and fusion, and if it can enhance post-fusion spinal stability and expedites postoperative recovery.

  2. Digitalized design of extraforaminal lumbar interbody fusion: a computer-based simulation and cadaveric study.

    Science.gov (United States)

    Yang, Mingjie; Zeng, Cheng; Guo, Song; Pan, Jie; Han, Yingchao; Li, Zeqing; Li, Lijun; Tan, Jun

    2014-01-01

    This study aims to investigate the feasibility of a novel lumbar approach named extraforaminal lumbar interbody fusion (ELIF), a newly emerging minimally invasive technique for treating degenerative lumbar disorders, using a digitalized simulation and a cadaveric study. The ELIF surgical procedure was simulated using the Mimics surgical simulator and included dissection of the superior articular process, dilation of the vertebral foramen, and placement of pedicle screws and a cage. ELIF anatomical measures were documented using a digitalized technique and subsequently validated on fresh cadavers. The use of the Mimics allowed for the vivid simulation of ELIF surgical procedures, while the cadaveric study proved the feasibility of this novel approach. ELIF had a relatively lateral access approach that was located 8-9 cm lateral to the median line with an access depth of approximately 9 cm through the intermuscular space. Dissection of the superior articular processes could fully expose the target intervertebral discs and facilitate a more inclined placement of the pedicle screws and cage with robust enhancement. According to the computer-based simulation and cadaveric study, it is feasible to perform ELIF. Further research including biomechanical study is needed to prove ELIF has a superior ability to preserve the posterior tension bands of the spinal column, with similar effects on spinal decompression, fixation, and fusion, and if it can enhance post-fusion spinal stability and expedites postoperative recovery.

  3. Lipopolysaccharide Membranes and Membrane Proteins of Pseudomonas aeruginosa Studied by Computer Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Straatsma, TP

    2006-12-01

    Pseudomonas aeruginosa is a ubiquitous environmental Gram-negative bacterium with high metabolic versatility and an exceptional ability to adapt to a wide range of ecological environments, including soil, marches, coastal habitats, plant and animal tissues. Gram-negative microbes are characterized by the asymmetric lipopolysaccharide outer membrane, the study of which is important for a number of applications. The adhesion to mineral surfaces plays a central role in characterizing their contribution to the fate of contaminants in complex environmental systems by effecting microbial transport through soils, respiration redox chemistry, and ion mobility. Another important application stems from the fact that it is also a major opportunistic human pathogen that can result in life-threatening infections in many immunocompromised patients, such as lung infections in children with cystic fibrosis, bacteraemia in burn victims, urinary-tract infections in catheterized patients, hospital-acquired pneumonia in patients on respirators, infections in cancer patients receiving chemotherapy, and keratitis and corneal ulcers in users of extended-wear soft contact lenses. The inherent resistance against antibiotics which has been linked with the specific interactions in the outer membrane of P. aeruginosa makes these infections difficult to treat. Developments in simulation methodologies as well as computer hardware have enabled the molecular simulation of biological systems of increasing size and with increasing accuracy, providing detail that is difficult or impossible to obtain experimentally. Computer simulation studies contribute to our understanding of the behavior of proteins, protein-protein and protein-DNA complexes. In recent years, a number of research groups have made significant progress in applying these methods to the study of biological membranes. However, these applications have been focused exclusively on lipid bilayer membranes and on membrane proteins in lipid

  4. Validation study of a computer-based open surgical trainer: SimPraxis® simulation platform

    Directory of Open Access Journals (Sweden)

    Tran LN

    2013-03-01

    Full Text Available Linh N Tran,1 Priyanka Gupta,2 Lauren H Poniatowski,2 Shaheen Alanee,3 Marc A Dall’Era,4 Robert M Sweet21Department of Internal Medicine, Loma Linda University, Loma Linda, CA, 2Department of Urology, University of Minnesota, Minneapolis, MN, 3Urology Service, Department of Surgery, Memorial Sloan-Kettering Cancer Center, New York, NY, 4Department of Urology, University of California, Davis, CA, USABackground: Technological advances have dramatically changed medical education, particularly in the era of work-hour restrictions, which increasingly highlights a need for novel methods to teach surgical skills. The purpose of this study was to evaluate the validity of a novel, computer-based, interactive, cognitive simulator for training surgeons to perform pelvic lymph node dissection (PLND.Methods: Eight prostate cancer experts evaluated the content of the simulator. Contextual aspects of the simulator were rated on a five-point Likert scale. The experts and nine first-year residents completed a simulated PLND. Time and deviations were logged, and the results were compared between experts and novices using the Mann–Whitney test.Results: Before training, 88% of the experts felt that a validated simulator would be useful for PLND training. After testing, 100% of the experts felt that it would be more useful than standard video training. Eighty-eight percent stated that they would like to see the simulator in the curriculum of residency programs and 56% thought it would be useful for accreditation purposes. The experts felt that the simulator aided in overall understanding, training indications, concepts and steps of the procedure, training how to use an assistant, and enhanced the knowledge of anatomy. Median performance times taken by experts and interns to complete a PLND procedure on the simulator were 12.62 and 23.97 minutes, respectively. Median deviation from the incorporated procedure pathway for experts was 24.5 and was 89 for novices

  5. Communication: Minimum in the thermal conductivity of supercooled water: A computer simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Bresme, F., E-mail: f.bresme@imperial.ac.uk [Chemical Physics Section, Department of Chemistry, Imperial College, London SW7 2AZ, United Kingdom and Department of Chemistry, Norwegian University of Science and Technology, Trondheim 7491 (Norway); Biddle, J. W.; Sengers, J. V.; Anisimov, M. A. [Institute for Physical Science and Technology, and Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, Maryland 20742 (United States)

    2014-04-28

    We report the results of a computer simulation study of the thermodynamic properties and the thermal conductivity of supercooled water as a function of pressure and temperature using the TIP4P-2005 water model. The thermodynamic properties can be represented by a two-structure equation of state consistent with the presence of a liquid-liquid critical point in the supercooled region. Our simulations confirm the presence of a minimum in the thermal conductivity, not only at atmospheric pressure, as previously found for the TIP5P water model, but also at elevated pressures. This anomalous behavior of the thermal conductivity of supercooled water appears to be related to the maximum of the isothermal compressibility or the minimum of the speed of sound. However, the magnitudes of the simulated thermal conductivities are sensitive to the water model adopted and appear to be significantly larger than the experimental thermal conductivities of real water at low temperatures.

  6. Communication: Minimum in the thermal conductivity of supercooled water: A computer simulation study

    International Nuclear Information System (INIS)

    Bresme, F.; Biddle, J. W.; Sengers, J. V.; Anisimov, M. A.

    2014-01-01

    We report the results of a computer simulation study of the thermodynamic properties and the thermal conductivity of supercooled water as a function of pressure and temperature using the TIP4P-2005 water model. The thermodynamic properties can be represented by a two-structure equation of state consistent with the presence of a liquid-liquid critical point in the supercooled region. Our simulations confirm the presence of a minimum in the thermal conductivity, not only at atmospheric pressure, as previously found for the TIP5P water model, but also at elevated pressures. This anomalous behavior of the thermal conductivity of supercooled water appears to be related to the maximum of the isothermal compressibility or the minimum of the speed of sound. However, the magnitudes of the simulated thermal conductivities are sensitive to the water model adopted and appear to be significantly larger than the experimental thermal conductivities of real water at low temperatures

  7. Atomic-level computer simulation

    International Nuclear Information System (INIS)

    Adams, J.B.; Rockett, Angus; Kieffer, John; Xu Wei; Nomura, Miki; Kilian, K.A.; Richards, D.F.; Ramprasad, R.

    1994-01-01

    This paper provides a broad overview of the methods of atomic-level computer simulation. It discusses methods of modelling atomic bonding, and computer simulation methods such as energy minimization, molecular dynamics, Monte Carlo, and lattice Monte Carlo. ((orig.))

  8. Computer simulation of ductile fracture

    International Nuclear Information System (INIS)

    Wilkins, M.L.; Streit, R.D.

    1979-01-01

    Finite difference computer simulation programs are capable of very accurate solutions to problems in plasticity with large deformations and rotation. This opens the possibility of developing models of ductile fracture by correlating experiments with equivalent computer simulations. Selected experiments were done to emphasize different aspects of the model. A difficult problem is the establishment of a fracture-size effect. This paper is a study of the strain field around notched tensile specimens of aluminum 6061-T651. A series of geometrically scaled specimens are tested to fracture. The scaled experiments are conducted for different notch radius-to-diameter ratios. The strains at fracture are determined from computer simulations. An estimate is made of the fracture-size effect

  9. Microdefects in an as-grown Czochralski silicon crystal studied by synchrotron radiation section topography with aid of computer simulation

    International Nuclear Information System (INIS)

    Iida, Satoshi; Aoki, Yoshirou; Okitsu, Kouhei; Sugita, Yoshimitsu; Kawata, Hiroshi; Abe, Takao

    1998-01-01

    Grown-in microdefects of a Czochralski (CZ) silicon crystal grown at a slow growth rate were studied by section topography using high energy synchrotron radiation. Images of the microdefects in the section topographs were analyzed quantitatively using computer simulation based on the Takagi-Taupin type dynamical diffraction theory of X-rays, and reproduced successfully by the simulation when the microdefects were assumed to be spherical strain centers. Sizes and positions of the microdefects were able to be determined by detailed comparison between the experiments and the computer simulations. The validity of the computer simulation in an analysis of the section topographs is discussed. (author)

  10. Studies of urea geometry by means of ab initio methods and computer simulations of liquids

    OpenAIRE

    Cirino, José Jair Vianna; Bertran, Celso Aparecido

    2002-01-01

    A study was carried out on the urea geometries using ab initio calculation and Monte Carlo computational simulation of liquids. The ab initio calculated results showed that urea has a non-planar conformation in the gas phase in which the hydrogen atoms are out of the plane formed by the heavy atoms. Free energies associated to the rotation of the amino groups of urea in water were obtained using the Monte Carlo method in which the thermodynamic perturbation theory is implemented. The magnitud...

  11. Study of electric and magnetic fields on transmission lines using a computer simulation program

    International Nuclear Information System (INIS)

    Robelo Mojica, Nelson

    2011-01-01

    A study was conducted to determine and reduce levels of electric and magnetic fields with different configurations used by the Instituto Costarricense de Electricidad in power transmission lines in Costa Rica. The computer simulation program PLS-CADD with EPRI algorithm has been used to obtain field values close to those actual to lines easements that have worked to date. Different configurations have been compared on equal terms and the lowest levels of electric and magnetic fields are determined. The most appropriate configuration of the tower has been obtained and therefore has decreased exposure to electromagnetic fields people, without affecting the energy demand of the population. (author) [es

  12. Problem-Oriented Simulation Packages and Computational Infrastructure for Numerical Studies of Powerful Gyrotrons

    International Nuclear Information System (INIS)

    Damyanova, M; Sabchevski, S; Vasileva, E; Balabanova, E; Zhelyazkov, I; Dankov, P; Malinov, P

    2016-01-01

    Powerful gyrotrons are necessary as sources of strong microwaves for electron cyclotron resonance heating (ECRH) and electron cyclotron current drive (ECCD) of magnetically confined plasmas in various reactors (most notably ITER) for controlled thermonuclear fusion. Adequate physical models and efficient problem-oriented software packages are essential tools for numerical studies, analysis, optimization and computer-aided design (CAD) of such high-performance gyrotrons operating in a CW mode and delivering output power of the order of 1-2 MW. In this report we present the current status of our simulation tools (physical models, numerical codes, pre- and post-processing programs, etc.) as well as the computational infrastructure on which they are being developed, maintained and executed. (paper)

  13. Computational study of nonlinear plasma waves. I. Simulation model and monochromatic wave propagation

    International Nuclear Information System (INIS)

    Matsuda, Y.; Crawford, F.W.

    1975-01-01

    An economical low-noise plasma simulation model originated by Denavit is applied to a series of problems associated with electrostatic wave propagation in a one-dimensional, collisionless, Maxwellian plasma, in the absence of magnetic field. The model is described and tested, first in the absence of an applied signal, and then with a small amplitude perturbation. These tests serve to establish the low-noise features of the model, and to verify the theoretical linear dispersion relation at wave energy levels as low as 10 -6 of the plasma thermal energy: Better quantitative results are obtained, for comparable computing time, than can be obtained by conventional particle simulation models, or direct solution of the Vlasov equation. The method is then used to study propagation of an essentially monochromatic plane wave. Results on amplitude oscillation and nonlinear frequency shift are compared with available theories

  14. Ion beam studies. Part 5 - the computer simulation of composite ion implantation profiles

    International Nuclear Information System (INIS)

    Freeman, J.H.; Booker, D.V.

    1977-01-01

    The computer simulation of composite ion implantation profiles produced by continuous energy programming and by discrete multiple dose doping is described. It is shown that precise matching of the computed profile to various uniform and power-law distributions can be achieved. (author)

  15. Exploring Students' Computational Thinking Skills in Modeling and Simulation Projects: : A Pilot Study

    NARCIS (Netherlands)

    Grgurina, Natasa; van Veen, Klaas; Barendsen, Erik; Zwaneveld, Bert; Suhre, Cor; Gal-Ezer, Judith; Sentance, Sue; Vahrenhold, Jan

    2015-01-01

    Computational Thinking (CT) is gaining a lot of attention in education. We explored how to discern the occurrences of CT in the projects of 12th grade high school students in the computer science (CS) course. Within the projects, they constructed models and ran simulations of phenomena from other

  16. Massively parallel quantum computer simulator

    NARCIS (Netherlands)

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

    2007-01-01

    We describe portable software to simulate universal quantum computers on massive parallel Computers. We illustrate the use of the simulation software by running various quantum algorithms on different computer architectures, such as a IBM BlueGene/L, a IBM Regatta p690+, a Hitachi SR11000/J1, a Cray

  17. Learning by Computer Simulation Does Not Lead to Better Test Performance on Advanced Cardiac Life Support Than Textbook Study.

    Science.gov (United States)

    Kim, Jong Hoon; Kim, Won Oak; Min, Kyeong Tae; Yang, Jong Yoon; Nam, Yong Taek

    2002-01-01

    For an effective acquisition and the practical application of rapidly increasing amounts of information, computer-based learning has already been introduced in medical education. However, there have been few studies that compare this innovative method to traditional learning methods in studying advanced cardiac life support (ACLS). Senior medical students were randomized to computer simulation and a textbook study. Each group studied ACLS for 150 minutes. Tests were done one week before, immediately after, and one week after the study period. Testing consisted of 20 questions. All questions were formulated in such a way that there was a single best answer. Each student also completed a questionnaire designed to assess computer skills as well as satisfaction with and benefit from the study materials. Test scores improved after both textbook study and computer simulation study in both groups but the improvement in scores was significantly higher for the textbook group only immediately after the study. There was no significant difference between groups in their computer skill and satisfaction with the study materials. The textbook group reported greater benefit from study materials than did the computer simulation group. Studying ACLS with a hard copy textbook may be more effective than computer simulation for the acquisition of simple information during a brief period. However, the difference in effectiveness is likely transient.

  18. COMPUTER SIMULATION IN MECHANICS TEACHING AND LEARNING: A CASE STUDY ON STUDENTS’ UNDERSTANDING OF FORCE AND MOTION

    Directory of Open Access Journals (Sweden)

    Dyah Permata Sari

    2015-12-01

    Full Text Available The objective of this research was to develop a force and motion simulation based on the open-source Easy Java Simulation. The process of computer simulation development was done following the ADDIE model. Based on the Analysis and Design phases, the Development phase used the open-source Easy Java Simulation (EJS to develop a computer simulation with physics content that was relevant to the subtopic. Computing and communication technology continue to make an increasing impact on all aspects of education. EJS is a powerful didactic resource that gives us the ability to focus our students’ attention on the principles of physics. Using EJS, a computer simulation was created through which the motion of a particle under the action of a specific force can be studied. The implementation phase is implemented the computer simulation in the teaching and learning process. To describe the improvements in the students’ understanding of the force and motion concepts, we used a t-test to evaluate each of the four phases. These results indicated that the use of the computer simulation could improve students’ force and motion conceptual competence regarding Newton's second law of motion.

  19. Biomass Gasifier for Computer Simulation; Biomassa foergasare foer Computer Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hansson, Jens; Leveau, Andreas; Hulteberg, Christian [Nordlight AB, Limhamn (Sweden)

    2011-08-15

    This report is an effort to summarize the existing data on biomass gasifiers as the authors have taken part in various projects aiming at computer simulations of systems that include biomass gasification. Reliable input data is paramount for any computer simulation, but so far there is no easy-accessible biomass gasifier database available for this purpose. This study aims at benchmarking current and past gasifier systems in order to create a comprehensive database for computer simulation purposes. The result of the investigation is presented in a Microsoft Excel sheet, so that the user easily can implement the data in their specific model. In addition to provide simulation data, the technology is described briefly for every studied gasifier system. The primary pieces of information that are sought for are temperatures, pressures, stream compositions and energy consumption. At present the resulting database contains 17 gasifiers, with one or more gasifier within the different gasification technology types normally discussed in this context: 1. Fixed bed 2. Fluidised bed 3. Entrained flow. It also contains gasifiers in the range from 100 kW to 120 MW, with several gasifiers in between these two values. Finally, there are gasifiers representing both direct and indirect heating. This allows for a more qualified and better available choice of starting data sets for simulations. In addition to this, with multiple data sets available for several of the operating modes, sensitivity analysis of various inputs will improve simulations performed. However, there have been fewer answers to the survey than expected/hoped for, which could have improved the database further. However, the use of online sources and other public information has to some extent counterbalanced the low response frequency of the survey. In addition to that, the database is preferred to be a living document, continuously updated with new gasifiers and improved information on existing gasifiers.

  20. Design and study of parallel computing environment of Monte Carlo simulation for particle therapy planning using a public cloud-computing infrastructure

    International Nuclear Information System (INIS)

    Yokohama, Noriya

    2013-01-01

    This report was aimed at structuring the design of architectures and studying performance measurement of a parallel computing environment using a Monte Carlo simulation for particle therapy using a high performance computing (HPC) instance within a public cloud-computing infrastructure. Performance measurements showed an approximately 28 times faster speed than seen with single-thread architecture, combined with improved stability. A study of methods of optimizing the system operations also indicated lower cost. (author)

  1. Using Computer Simulations for Investigating a Sex Education Intervention: An Exploratory Study.

    Science.gov (United States)

    Eleftheriou, Anastasia; Bullock, Seth; Graham, Cynthia A; Ingham, Roger

    2017-05-03

    Sexually transmitted infections (STIs) are ongoing concerns. The best method for preventing the transmission of these infections is the correct and consistent use of condoms. Few studies have explored the use of games in interventions for increasing condom use by challenging the false sense of security associated with judging the presence of an STI based on attractiveness. The primary purpose of this study was to explore the potential use of computer simulation as a serious game for sex education. Specific aims were to (1) study the influence of a newly designed serious game on self-rated confidence for assessing STI risk and (2) examine whether this varied by gender, age, and scores on sexuality-related personality trait measures. This paper undertook a Web-based questionnaire study employing between and within subject analyses. A Web-based platform hosted in the United Kingdom was used to deliver male and female stimuli (facial photographs) and collect data. A convenience sample group of 66 participants (64%, 42/66) male, mean age 22.5 years) completed the Term on the Tides, a computer simulation developed for this study. Participants also completed questionnaires on demographics, sexual preferences, sexual risk evaluations, the Sexual Sensation Seeking Scale (SSS), and the Sexual Inhibition Subscale 2 (SIS2) of the Sexual Inhibition/Sexual Excitation Scales-Short Form (SIS/SES - SF). The overall confidence of participants to evaluate sexual risks reduced after playing the game (Psimulations as a serious game for sex education. Engaging in the Term on the Tides game had an impact on participants' confidence in evaluating sexual risks. ©Anastasia Eleftheriou, Seth Bullock, Cynthia A Graham, Roger Ingham. Originally published in JMIR Serious Games (http://games.jmir.org), 03.05.2017.

  2. Molecular dynamics computer simulation study of Pdn (n=13, 19, 38 and 55) clusters

    International Nuclear Information System (INIS)

    Karabacak, M.; Oezcelik, S.; Guevenc, Z.B.

    2002-01-01

    Using constant-energy molecular dynamics and thermal quenching simulations, we have studied minimum-energy structures and energetics, Pd n (n=13, 19, 38, and 55) clusters employing the Voter and Chen's version of parameterisation of the embedded-atom potential surface. Isomer statistics for Pdn ( n = 13 and 19 ) is obtained from 10000 initial independent configurations, which have been generated along high-energy trajectories (chosen energy values are high enough to melt the clusters). The thermal quenching technique is employed to remove the internal kinetic energy of the clusters. The locally stable isomers are separated from metastable ones. Probabilities belonging to sampling the basins of attractions of each isomers are computed, and then, isomers' energy spectra are analyzed

  3. Computer Simulation Study of Collective Phenomena in Dense Suspensions of Red Blood Cells under Shear

    CERN Document Server

    Krüger, Timm

    2012-01-01

    The rheology of dense red blood cell suspensions is investigated via computer simulations based on the lattice Boltzmann, the immersed boundary, and the finite element methods. The red blood cells are treated as extended and deformable particles immersed in the ambient fluid. In the first part of the work, the numerical model and strategies for stress evaluation are discussed. In the second part, the behavior of the suspensions in simple shear flow is studied for different volume fractions, particle deformabilities, and shear rates. Shear thinning behavior is recovered. The existence of a shear-induced transition from a tumbling to a tank-treading motion is demonstrated. The transition can be parameterized by a single quantity, namely the effective capillary number. It is the ratio of the suspension stress and the characteristic particle membrane stress. At the transition point, a strong increase in the orientational order of the red blood cells and a significant decrease of the particle diffusivity are obser...

  4. Simulation Study of Single Photon Emission Computed Tomography for Industrial Applications

    International Nuclear Information System (INIS)

    Roy, Tushar; Sarkar, P. S.; Sinha, Amar

    2008-01-01

    SPECT (Single Photon Emission Computed Tomography) provides for an invaluable non-invasive technique for the characterization and activity distribution of the gamma-emitting source. For many applications of radioisotopes for medical and industrial application, not only the positional information of the distribution of radioisotopes is needed but also its strength. The well-established X-ray radiography or transmission tomography techniques do not yield sufficient quantitative information about these objects. Emission tomography is one of the important methods for such characterization. Application of parallel beam, fan beam and 3D cone beam emission tomography methods have been discussed in this paper. Simulation studies to test these algorithms have been carried out to validate the technique.

  5. Biomes computed from simulated climatologies

    Energy Technology Data Exchange (ETDEWEB)

    Claussen, M.; Esch, M. [Max-Planck-Institut fuer Meteorologie, Hamburg (Germany)

    1994-01-01

    The biome model of Prentice et al. is used to predict global patterns of potential natural plant formations, or biomes, from climatologies simulated by ECHAM, a model used for climate simulations at the Max-Planck-Institut fuer Meteorologie. This study undertaken in order to show the advantage of this biome model in diagnosing the performance of a climate model and assessing effects of past and future climate changes predicted by a climate model. Good overall agreement is found between global patterns of biomes computed from observed and simulated data of present climate. But there are also major discrepancies indicated by a difference in biomes in Australia, in the Kalahari Desert, and in the Middle West of North America. These discrepancies can be traced back to in simulated rainfall as well as summer or winter temperatures. Global patterns of biomes computed from an ice age simulation reveal that North America, Europe, and Siberia should have been covered largely by tundra and taiga, whereas only small differences are for the tropical rain forests. A potential northeast shift of biomes is expected from a simulation with enhanced CO{sub 2} concentration according to the IPCC Scenario A. Little change is seen in the tropical rain forest and the Sahara. Since the biome model used is not capable of predicting chances in vegetation patterns due to a rapid climate change, the latter simulation to be taken as a prediction of chances in conditions favourable for the existence of certain biomes, not as a reduction of a future distribution of biomes. 15 refs., 8 figs., 2 tabs.

  6. Biomes computed from simulated climatologies

    Energy Technology Data Exchange (ETDEWEB)

    Claussen, W.; Esch, M.

    1992-09-01

    The biome model of Prentice et al. is used to predict global patterns of potential natural plant formations, or biomes, from climatologies simulated by ECHAM, a model used for climate simulations at the Max-Planck-Institut fuer Meteorologie. This study is undertaken in order to show the advantage of this biome model in comprehensively diagnosing the performance of a climate model and assessing effects of past and future climate changes predicted by a climate model. Good overall agreement is found between global patterns of biomes computed from observed and simulated data of present climate. But there are also major discrepancies indicated by a difference in biomes in Australia, in the Kalahari Desert, and in the Middle West of North America. These discrepancies can be traced back to failures in simulated rain fall as well as summer or winter temperatures. Global patterns of biomes computed from an ice age simulation reveal that North America, Europe, and Siberia should have been covered largely by tundra and taiga, whereas only small differences are seen for the tropical rain forests. A potential North-East shift of biomes is expected from a simulation with enhanced CO{sub 2} concentration according to the IPCC Scenario A. Little change is seen in the tropical rain forest and the Sahara. Since the biome model used is not capable of predicting changes in vegetation patterns due to a rapid climate change, the latter simulation has to be taken as a prediction of changes in conditions favorable for the existence of certain biomes, not as a prediction of a future distribution of biomes. (orig.).

  7. Computer simulation modeling of recreation use: Current status, case studies, and future directions

    Science.gov (United States)

    David N. Cole

    2005-01-01

    This report compiles information about recent progress in the application of computer simulation modeling to planning and management of recreation use, particularly in parks and wilderness. Early modeling efforts are described in a chapter that provides an historical perspective. Another chapter provides an overview of modeling options, common data input requirements,...

  8. Computer simulation studies in fluid and calcium regulation and orthostatic intolerance

    Science.gov (United States)

    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.

  9. The Longitudinal Study of Computer Simulation in Learning Statistics for Hospitality College Students

    Science.gov (United States)

    Huang, Ching-Hsu

    2014-01-01

    The class quasi-experiment was conducted to determine whether using computer simulation teaching strategy enhanced student understanding of statistics concepts for students enrolled in an introductory course. One hundred and ninety-three sophomores in hospitality management department were invited as participants in this two-year longitudinal…

  10. Microphase Separation within a Comb Copolymer with Attractive Side Chains : A Computer Simulation Study

    NARCIS (Netherlands)

    Vasilevskaya, V.V.; Klochkov, A.A.; Khalatur, P.G.; Khokhlov, A.R.; Brinke, G. ten

    2001-01-01

    Computer simulation modelling of a flexible comb copolymer with attractive interactions between the monomer units of the side chains is performed. The conditions for the coil-globule transition, induced by the increase of attractive interaction, ε, between side chain monomer units, are analysed for

  11. NATO Advanced Study Institute on Advances in the Computer Simulations of Liquid Crystals

    CERN Document Server

    Zannoni, Claudio

    2000-01-01

    Computer simulations provide an essential set of tools for understanding the macroscopic properties of liquid crystals and of their phase transitions in terms of molecular models. While simulations of liquid crystals are based on the same general Monte Carlo and molecular dynamics techniques as are used for other fluids, they present a number of specific problems and peculiarities connected to the intrinsic properties of these mesophases. The field of computer simulations of anisotropic fluids is interdisciplinary and is evolving very rapidly. The present volume covers a variety of techniques and model systems, from lattices to hard particle and Gay-Berne to atomistic, for thermotropics, lyotropics, and some biologically interesting liquid crystals. Contributions are written by an excellent panel of international lecturers and provides a timely account of the techniques and problems in the field.

  12. Radiation doses in volume-of-interest breast computed tomography—A Monte Carlo simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Chao-Jen, E-mail: cjlai3711@gmail.com; Zhong, Yuncheng; Yi, Ying; Wang, Tianpeng; Shaw, Chris C. [Department of Imaging Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas 77030-4009 (United States)

    2015-06-15

    Purpose: Cone beam breast computed tomography (breast CT) with true three-dimensional, nearly isotropic spatial resolution has been developed and investigated over the past decade to overcome the problem of lesions overlapping with breast anatomical structures on two-dimensional mammographic images. However, the ability of breast CT to detect small objects, such as tissue structure edges and small calcifications, is limited. To resolve this problem, the authors proposed and developed a volume-of-interest (VOI) breast CT technique to image a small VOI using a higher radiation dose to improve that region’s visibility. In this study, the authors performed Monte Carlo simulations to estimate average breast dose and average glandular dose (AGD) for the VOI breast CT technique. Methods: Electron–Gamma-Shower system code-based Monte Carlo codes were used to simulate breast CT. The Monte Carlo codes estimated were validated using physical measurements of air kerma ratios and point doses in phantoms with an ion chamber and optically stimulated luminescence dosimeters. The validated full cone x-ray source was then collimated to simulate half cone beam x-rays to image digital pendant-geometry, hemi-ellipsoidal, homogeneous breast phantoms and to estimate breast doses with full field scans. 13-cm in diameter, 10-cm long hemi-ellipsoidal homogeneous phantoms were used to simulate median breasts. Breast compositions of 25% and 50% volumetric glandular fractions (VGFs) were used to investigate the influence on breast dose. The simulated half cone beam x-rays were then collimated to a narrow x-ray beam with an area of 2.5 × 2.5 cm{sup 2} field of view at the isocenter plane and to perform VOI field scans. The Monte Carlo results for the full field scans and the VOI field scans were then used to estimate the AGD for the VOI breast CT technique. Results: The ratios of air kerma ratios and dose measurement results from the Monte Carlo simulation to those from the physical

  13. Prospective randomized study of contrast reaction management curricula: Computer-based interactive simulation versus high-fidelity hands-on simulation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Carolyn L., E-mail: wangcl@uw.edu [Department of Radiology, University of Washington, Box 357115, 1959 NE Pacific Street, Seattle, WA 98195-7115 (United States); Schopp, Jennifer G.; Kani, Kimia [Department of Radiology, University of Washington, Box 357115, 1959 NE Pacific Street, Seattle, WA 98195-7115 (United States); Petscavage-Thomas, Jonelle M. [Penn State Hershey Medical Center, Department of Radiology, 500 University Drive, Hershey, PA 17033 (United States); Zaidi, Sadaf; Hippe, Dan S.; Paladin, Angelisa M.; Bush, William H. [Department of Radiology, University of Washington, Box 357115, 1959 NE Pacific Street, Seattle, WA 98195-7115 (United States)

    2013-12-01

    Purpose: We developed a computer-based interactive simulation program for teaching contrast reaction management to radiology trainees and compared its effectiveness to high-fidelity hands-on simulation training. Materials and methods: IRB approved HIPAA compliant prospective study of 44 radiology residents, fellows and faculty who were randomized into either the high-fidelity hands-on simulation group or computer-based simulation group. All participants took separate written tests prior to and immediately after their intervention. Four months later participants took a delayed written test and a hands-on high-fidelity severe contrast reaction scenario performance test graded on predefined critical actions. Results: There was no statistically significant difference between the computer and hands-on groups’ written pretest, immediate post-test, or delayed post-test scores (p > 0.6 for all). Both groups’ scores improved immediately following the intervention (p < 0.001). The delayed test scores 4 months later were still significantly higher than the pre-test scores (p ≤ 0.02). The computer group's performance was similar to the hands-on group on the severe contrast reaction simulation scenario test (p = 0.7). There were also no significant differences between the computer and hands-on groups in performance on the individual core competencies of contrast reaction management during the contrast reaction scenario. Conclusion: It is feasible to develop a computer-based interactive simulation program to teach contrast reaction management. Trainees that underwent computer-based simulation training scored similarly on written tests and on a hands-on high-fidelity severe contrast reaction scenario performance test as those trained with hands-on high-fidelity simulation.

  14. Prospective randomized study of contrast reaction management curricula: Computer-based interactive simulation versus high-fidelity hands-on simulation

    International Nuclear Information System (INIS)

    Wang, Carolyn L.; Schopp, Jennifer G.; Kani, Kimia; Petscavage-Thomas, Jonelle M.; Zaidi, Sadaf; Hippe, Dan S.; Paladin, Angelisa M.; Bush, William H.

    2013-01-01

    Purpose: We developed a computer-based interactive simulation program for teaching contrast reaction management to radiology trainees and compared its effectiveness to high-fidelity hands-on simulation training. Materials and methods: IRB approved HIPAA compliant prospective study of 44 radiology residents, fellows and faculty who were randomized into either the high-fidelity hands-on simulation group or computer-based simulation group. All participants took separate written tests prior to and immediately after their intervention. Four months later participants took a delayed written test and a hands-on high-fidelity severe contrast reaction scenario performance test graded on predefined critical actions. Results: There was no statistically significant difference between the computer and hands-on groups’ written pretest, immediate post-test, or delayed post-test scores (p > 0.6 for all). Both groups’ scores improved immediately following the intervention (p < 0.001). The delayed test scores 4 months later were still significantly higher than the pre-test scores (p ≤ 0.02). The computer group's performance was similar to the hands-on group on the severe contrast reaction simulation scenario test (p = 0.7). There were also no significant differences between the computer and hands-on groups in performance on the individual core competencies of contrast reaction management during the contrast reaction scenario. Conclusion: It is feasible to develop a computer-based interactive simulation program to teach contrast reaction management. Trainees that underwent computer-based simulation training scored similarly on written tests and on a hands-on high-fidelity severe contrast reaction scenario performance test as those trained with hands-on high-fidelity simulation

  15. Pilot Study: Impact of Computer Simulation on Students' Economic Policy Performance. Pilot Study.

    Science.gov (United States)

    Domazlicky, Bruce; France, Judith

    Fiscal and monetary policies taught in macroeconomic principles courses are concepts that might require both lecture and simulation methods. The simulation models, which apply the principles gleened from comparative statistics to a dynamic world, may give students an appreciation for the problems facing policy makers. This paper is a report of a…

  16. Radiation defects in Te-implanted germanium. Electron microscopy and computer simulation studies

    International Nuclear Information System (INIS)

    Kalitzova, M.G.; Karpuzov, D.S.; Pashov, N.K.

    1985-01-01

    Direct observation of radiation damage induced by heavy ion implantation in crystalline germanium by means of high-resolution electron microscopy is reported. The dark-field lattice imaging mode is used, under conditions suitable for object-like imaging. Conventional TEM is used for estimating the efficiency of creating visibly damaged regions. Heavy ion damage clusters with three types of inner structure are observed: with near-perfect crystalline cores, and with metastable and stable amorphous cores. The MARLOWE computer code is used to simulate the atomic collision cascades and to obtain the lateral spread distributions of point defects created. A comparison of high-resolution electron microscopy (HREM) with computer simulation results shows encouraging agreement for the average cluster dimensions and for the lateral spread of vacancies and interstitials. (author)

  17. Celiac plexus block: an anatomical study and simulation using computed tomography

    International Nuclear Information System (INIS)

    Pereira, Gabriela Augusta Mateus; Lopes, Paulo Tadeu Campos; Santos, Ana Maria Pujol Vieira dos; Pozzobon, Adriane; Duarte, Rodrigo Dias; Cima, Alexandre da Silveira; Massignan, Angela

    2014-01-01

    Objective: to analyze anatomical variations associated with celiac plexus complex by means of computed tomography simulation, assessing the risk for organ injury as the transcrural technique is utilized. Materials and Methods: one hundred eight transaxial computed tomography images of abdomen were analyzed. The aortic-vertebral, celiac trunk (CeT)-vertebral, CeT-aortic and celiac-aortic-vertebral topographical relationships were recorded. Two needle insertion pathways were drawn on each of the images, at right and left, 9 cm and 4.5 cm away from the midline. Transfixed vital organs and gender-related associations were recorded. Results: aortic-vertebral - 45.37% at left and 54.62% in the middle; CeT-vertebral - T12, 36.11%; T12-L1, 32.4%; L1, 27.77%; T11-T12, 2.77%; CeT-aortic - 53.7% at left and 46.3% in the middle; celiac-aortic-vertebral - L-l, 22.22%; M-m, 23.15%; L-m, 31.48%; M-l, 23.15%. Neither correspondence on the right side nor significant gender-related associations were observed. Conclusion: considering the wide range of abdominal anatomical variations and the characteristics of needle insertion pathways, celiac plexus block should not be standardized. Imaging should be performed prior to the procedure in order to reduce the risks for injuries or for negative outcomes to patients. Gender-related anatomical variations involved in celiac plexus block should be more deeply investigated, since few studies have addressed the subject. (author)

  18. Celiac plexus block: an anatomical study and simulation using computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, Gabriela Augusta Mateus; Lopes, Paulo Tadeu Campos; Santos, Ana Maria Pujol Vieira dos, E-mail: pclopes@ulbra.br [Universidade Luterana do Brasil (Ulbra), Canoas, RS (Brazil); Pozzobon, Adriane [Centro Universitario Univates, Lajeado, RS (Brazil); Duarte, Rodrigo Dias; Cima, Alexandre da Silveira; Massignan, Angela [Fundacao Serdil/Saint Pastous, Porto Alegre, RS (Brazil)

    2014-09-15

    Objective: to analyze anatomical variations associated with celiac plexus complex by means of computed tomography simulation, assessing the risk for organ injury as the transcrural technique is utilized. Materials and Methods: one hundred eight transaxial computed tomography images of abdomen were analyzed. The aortic-vertebral, celiac trunk (CeT)-vertebral, CeT-aortic and celiac-aortic-vertebral topographical relationships were recorded. Two needle insertion pathways were drawn on each of the images, at right and left, 9 cm and 4.5 cm away from the midline. Transfixed vital organs and gender-related associations were recorded. Results: aortic-vertebral - 45.37% at left and 54.62% in the middle; CeT-vertebral - T12, 36.11%; T12-L1, 32.4%; L1, 27.77%; T11-T12, 2.77%; CeT-aortic - 53.7% at left and 46.3% in the middle; celiac-aortic-vertebral - L-l, 22.22%; M-m, 23.15%; L-m, 31.48%; M-l, 23.15%. Neither correspondence on the right side nor significant gender-related associations were observed. Conclusion: considering the wide range of abdominal anatomical variations and the characteristics of needle insertion pathways, celiac plexus block should not be standardized. Imaging should be performed prior to the procedure in order to reduce the risks for injuries or for negative outcomes to patients. Gender-related anatomical variations involved in celiac plexus block should be more deeply investigated, since few studies have addressed the subject. (author)

  19. Computer simulation study of the nematic-vapour interface in the Gay-Berne model

    Science.gov (United States)

    Rull, Luis F.; Romero-Enrique, José Manuel

    2017-06-01

    We present computer simulations of the vapour-nematic interface of the Gay-Berne model. We considered situations which correspond to either prolate or oblate molecules. We determine the anchoring of the nematic phase and correlate it with the intermolecular potential parameters. On the other hand, we evaluate the surface tension associated to this interface. We find a corresponding states law for the surface tension dependence on the temperature, valid for both prolate and oblate molecules.

  20. Computer simulation of oxides

    International Nuclear Information System (INIS)

    Rowley, A.

    1998-01-01

    An ionic interaction model is developed which accounts for the effects of the ionic environment upon the electron densities of both cations and anions through changes in their size and shape and is transferable between materials. These variations are represented by additional dynamical variables which are handled within the model using the techniques of the Car-Parrinello method. The model parameters are determined as far as possible by input from external ab initio electronic structure calculations directed at examining the individual effects of the ionic environment upon the ions, particularly the oxide ion. Techniques for the evaluation of dipolar and quadrupolar Ewald sums in non-cubic simulation cells and the calculation of the pressure due to the terms in the potential are presented. This model is applied to the description of the perfect crystal properties and phonon dispersion curves of MgO. Consideration of the high symmetry phonon modes allows parameterization of the remaining model parameters in an unambiguous fashion. The same procedure is used to obtain parameters for CaO. These two parameter sets are examined to determine how they may be used to generate the parameters for SrO and simple scaling relationships based on ionic radii and polarizabilities are formulated. The transferability of the model to Cr 2 O 3 is investigated using parameters generated from the alkaline earth oxides. The importance of lower symmetry model terms, particularly quadrupolar interactions, at the low symmetry ion sites in the crystal structure is demonstrated. The correct ground-state crystal structure is predicted and the calculated surface energies and relaxation phenomena are found to agree well with previous ab initio studies. The model is applied to GeO 2 as a strong test of its applicability to ion environments far different from those encountered in MgO. An good description of the crystal structures is obtained and the interplay of dipolar and quadrupolar effects is

  1. Nanoporous carbon supercapacitors in an ionic liquid: a computer simulation study.

    Science.gov (United States)

    Shim, Youngseon; Kim, Hyung J

    2010-04-27

    Supercapacitors composed of carbon nanotube (CNT) micropores in the room-temperature ionic liquid (RTIL) 1-ethyl-3-methylimidazolium tetrafluoroborate (EMI+BF4(-)) are studied via molecular dynamics (MD)computer simulations. It is found that the distribution of RTIL ions inside the micropore varies significantly with the pore size. Internal solvation of small (6,6) and (7,7) CNTs with an electrified interior wall is effected almost exclusively via counterions. Surprisingly, these counterions, even though they all have the same charge, lead to a charge density characterized by multiple layers with alternating signs. This intriguing feature is attributed to the extended nature of RTIL ion charge distributions, which result in charge separation through preferential orientation inside the electrified nanotubes. In the case of larger (10,10) and (15,15) CNTs, counterions and coions develop multilayer solvation structures. The specific capacitance normalized to the pore surface area is found to increase as the CNT diameter decreases from (15,15) to (7,7). As the pore size further reduces from (6,6) to(5,5), however, the specific capacitance diminishes rapidly. These findings are in excellent agreement with recent experiments with carbon-based materials. A theoretical model based on multiple charge layers is proposed to understand both the MD and experimental results.

  2. Computer Simulation Study of the Stability Mechanism of Thermophile, MJ0305

    Science.gov (United States)

    Song, Hyundeok; Beck, Thomas

    2011-04-01

    Methanococcus jannaschii (MJ) is a methane-producing thermophile, which was discovered in a 2600m-deep Pacific Ocean vent in 1983. It has the ability to thrive at high temperatures and high pressures, which are unfavorable for most life forms. There have been some experiments to study its stability under extreme conditions, but still the origin of the stability of MJ is not exactly known. MJ0305 is MJ's chloride channel protein. The structure of MJ0305 was built by homology modeling. We compared the stability of MJ0305 with mesophilic Ecoli at 300K, 330K, and 360K by computer simulation to test the effects of temperature. Our results show that high temperatures significantly affect the number of salt bridges and hydrogen bonds. High temperatures decreased the average number of hydrogen bonds for Ecoli and MJ0305. Increased salt bridges at 330K make MJ0305 more stable. Network analysis of MJ0305 showed an increase in the number of hubs at high temperatures. In contrast, the number of hubs of Ecoli was decreased at high temperatures. Calculated network entropy is proportional to the number of hubs. Increased network entropy of MJ0305 at 330K implies increased robustness.

  3. Comparison of meaningful learning characteristics in simulated nursing practice after traditional versus computer-based simulation method: a qualitative videography study.

    Science.gov (United States)

    Poikela, Paula; Ruokamo, Heli; Teräs, Marianne

    2015-02-01

    Nursing educators must ensure that nursing students acquire the necessary competencies; finding the most purposeful teaching methods and encouraging learning through meaningful learning opportunities is necessary to meet this goal. We investigated student learning in a simulated nursing practice using videography. The purpose of this paper is to examine how two different teaching methods presented students' meaningful learning in a simulated nursing experience. The 6-hour study was divided into three parts: part I, general information; part II, training; and part III, simulated nursing practice. Part II was delivered by two different methods: a computer-based simulation and a lecture. The study was carried out in the simulated nursing practice in two universities of applied sciences, in Northern Finland. The participants in parts II and I were 40 first year nursing students; 12 student volunteers continued to part III. Qualitative analysis method was used. The data were collected using video recordings and analyzed by videography. The students who used a computer-based simulation program were more likely to report meaningful learning themes than those who were first exposed to lecture method. Educators should be encouraged to use computer-based simulation teaching in conjunction with other teaching methods to ensure that nursing students are able to receive the greatest educational benefits. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. Computer Simulation of Mutagenesis.

    Science.gov (United States)

    North, J. C.; Dent, M. T.

    1978-01-01

    A FORTRAN program is described which simulates point-substitution mutations in the DNA strands of typical organisms. Its objective is to help students to understand the significance and structure of the genetic code, and the mechanisms and effect of mutagenesis. (Author/BB)

  5. Flight simulation using a Brain-Computer Interface: A pilot, pilot study.

    Science.gov (United States)

    Kryger, Michael; Wester, Brock; Pohlmeyer, Eric A; Rich, Matthew; John, Brendan; Beaty, James; McLoughlin, Michael; Boninger, Michael; Tyler-Kabara, Elizabeth C

    2017-01-01

    As Brain-Computer Interface (BCI) systems advance for uses such as robotic arm control it is postulated that the control paradigms could apply to other scenarios, such as control of video games, wheelchair movement or even flight. The purpose of this pilot study was to determine whether our BCI system, which involves decoding the signals of two 96-microelectrode arrays implanted into the motor cortex of a subject, could also be used to control an aircraft in a flight simulator environment. The study involved six sessions in which various parameters were modified in order to achieve the best flight control, including plane type, view, control paradigm, gains, and limits. Successful flight was determined qualitatively by evaluating the subject's ability to perform requested maneuvers, maintain flight paths, and avoid control losses such as dives, spins and crashes. By the end of the study, it was found that the subject could successfully control an aircraft. The subject could use both the jet and propeller plane with different views, adopting an intuitive control paradigm. From the subject's perspective, this was one of the most exciting and entertaining experiments she had performed in two years of research. In conclusion, this study provides a proof-of-concept that traditional motor cortex signals combined with a decoding paradigm can be used to control systems besides a robotic arm for which the decoder was developed. Aside from possible functional benefits, it also shows the potential for a new recreational activity for individuals with disabilities who are able to master BCI control. Copyright © 2016 Elsevier Inc. All rights reserved.

  6. Fluid simulation for computer graphics

    CERN Document Server

    Bridson, Robert

    2008-01-01

    Animating fluids like water, smoke, and fire using physics-based simulation is increasingly important in visual effects, in particular in movies, like The Day After Tomorrow, and in computer games. This book provides a practical introduction to fluid simulation for graphics. The focus is on animating fully three-dimensional incompressible flow, from understanding the math and the algorithms to the actual implementation.

  7. Fel simulations using distributed computing

    NARCIS (Netherlands)

    Einstein, J.; Biedron, S.G.; Freund, H.P.; Milton, S.V.; Van Der Slot, P. J M; Bernabeu, G.

    2016-01-01

    While simulation tools are available and have been used regularly for simulating light sources, including Free-Electron Lasers, the increasing availability and lower cost of accelerated computing opens up new opportunities. This paper highlights a method of how accelerating and parallelizing code

  8. The Net-Generation Interior Design Student: An Exploratory Study Assessing Learning and Engagement within a Computer Simulation Environment

    Science.gov (United States)

    Peterson, Julie Ellen

    2009-01-01

    The first purpose of this experimental study was to determine if there were effects on achievement between traditional pencil-and-paper instructional strategies and computer simulated instructional strategies used to teach interior design business ethics. The second purpose was to determine the level of engagement of interior design students using…

  9. Carbon nanotube as a carrier in drug delivery system for carnosine dipeptide: A computer simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Ketabi, Sepideh, E-mail: sepidehketabi@yahoo.com [Department of Chemistry, East Tehran Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of); Rahmani, Leila [Department of Biochemistry, Falavarjan Branch, Islamic Azad University, Falavarjan (Iran, Islamic Republic of)

    2017-04-01

    Biological application of carbon nanotube in drug delivery is our main concern in this investigation. For this purpose interaction of carnosine and carbon nanotube was studied in both gas phase and separately in aqueous media. Three possible interactions of carnosine dipeptide with (5,5) carbon nanotube in physiological media were considered. At first step each species were modeled using quantum mechanical calculations, in the next step, their properties in aqueous solution were studied by applying Monte Carlo simulations. The results of density functional calculations in gas phase showed that interaction of zwitterion of carnosine with carbon nanotube via NH{sub 3}{sup +} had relatively higher interaction energy than the other complexes. Computation of solvation free energies in water showed functionalization with carnosine enhanced the solubility of carbon nanotube significantly that improve the medicinal applications of these materials. Calculation of complexation free energies indicated that zwitterion of carnosine with carbon nanotube via NH{sub 3}{sup +} produced the most stable complex in aqueous solution. This tendency could be observed in gas and liquid phase similarly. - Highlights: • Carnosine dipeptide (an anti-ageing compound and neuron protection in relation to Alzheimer's dementia) can be stabilized against degradation by binding to Carbon nanotube as a transporter. • Functionalization with carnosine increases the solubility of carbon nanotube considerably and so such systems hold great potential in the field of nanomedicine. • Complexation free energies confirm the interaction of carnosine dipeptide with carbon nanotube in aqueous solution. • Carnosine zwitter ion via NH{sub 3}{sup +} have the most interaction energy with carbon nanotube.

  10. SELF-HEALING CAPACITY OF CONCRETE - COMPUTER SIMULATION STUDY OF UNHYDRATED CEMENT STRUCTURE

    Directory of Open Access Journals (Sweden)

    Huan He

    2011-05-01

    Full Text Available Aggregate occupies at least three-quarters of the volume of concrete, so its impact on concrete's properties is large. The aggregate's influence on the non-hydrated part of the matured paste is assessed by concurrent algorithm-based computer simulation system SPACE in this paper. A distinction is made between interfacial zones (ITZs and bulk paste. Containers with rigid boundaries were employed for the production of series of cement pastes. They were subjected to quantitative microstructure analysis. Relevant gradient structures in the ITZ and bulk are presented and discussed. The relevance of this structure information for possible selfhealing of cracks is briefly discussed.

  11. Computer Simulations of Lipid Bilayers and Proteins

    DEFF Research Database (Denmark)

    Sonne, Jacob

    2006-01-01

    The importance of computer simulations in lipid bilayer research has become more prominent for the last couple of decades and as computers get even faster, simulations will play an increasingly important part of understanding the processes that take place in and across cell membranes. This thesis...... entitled Computer simulations of lipid bilayers and proteins describes two molecular dynamics (MD) simulation studies of pure lipid bilayers as well as a study of a transmembrane protein embedded in a lipid bilayer matrix. Below follows a brief overview of the thesis. Chapter 1. This chapter is a short...... in the succeeding chapters is presented. Details on system setups, simulation parameters and other technicalities can be found in the relevant chapters. Chapter 3, DPPC lipid parameters: The quality of MD simulations is intimately dependent on the empirical potential energy function and its parameters, i...

  12. Computer simulation of chemical nucleation

    International Nuclear Information System (INIS)

    Turner, J.S.

    1979-01-01

    The problem of nucleation at chemical instabilities is investigated by means of microscopic computer simulation. The first-order transition of interest involves a new kind of nucleation arising from chemical transformations rather than physical forces. Here it is the chemical state of matter, and not matter itself, which is spatially localized to form the nucleus for transition between different chemical states. First, the concepts of chemical instability, nonequilibrium phase transition, and dissipative structure are reviewed briefly. Then recently developed methods of reactive molecular dynamics are used to study chemical nucleation in a simple model chemical reactions. Finally, the connection of these studies to nucleation and condensation processes involving physical and chemical interactions is explored. (orig.)

  13. [Acquiring skills in malignant hyperthermia crisis management: comparison of high-fidelity simulation versus computer-based case study].

    Science.gov (United States)

    Mejía, Vilma; Gonzalez, Carlos; Delfino, Alejandro E; Altermatt, Fernando R; Corvetto, Marcia A

    The primary purpose of this study was to compare the effect of high fidelity simulation versus a computer-based case solving self-study, in skills acquisition about malignant hyperthermia on first year anesthesiology residents. After institutional ethical committee approval, 31 first year anesthesiology residents were enrolled in this prospective randomized single-blinded study. Participants were randomized to either a High Fidelity Simulation Scenario or a computer-based Case Study about malignant hyperthermia. After the intervention, all subjects' performance in was assessed through a high fidelity simulation scenario using a previously validated assessment rubric. Additionally, knowledge tests and a satisfaction survey were applied. Finally, a semi-structured interview was done to assess self-perception of reasoning process and decision-making. 28 first year residents finished successfully the study. Resident's management skill scores were globally higher in High Fidelity Simulation versus Case Study, however they were significant in 4 of the 8 performance rubric elements: recognize signs and symptoms (p = 0.025), prioritization of initial actions of management (p = 0.003), recognize complications (p = 0.025) and communication (p = 0.025). Average scores from pre- and post-test knowledge questionnaires improved from 74% to 85% in the High Fidelity Simulation group, and decreased from 78% to 75% in the Case Study group (p = 0.032). Regarding the qualitative analysis, there was no difference in factors influencing the student's process of reasoning and decision-making with both teaching strategies. Simulation-based training with a malignant hyperthermia high-fidelity scenario was superior to computer-based case study, improving knowledge and skills in malignant hyperthermia crisis management, with a very good satisfaction level in anesthesia residents. Copyright © 2018 Sociedade Brasileira de Anestesiologia. Publicado por Elsevier Editora Ltda. All rights

  14. Acquiring skills in malignant hyperthermia crisis management: comparison of high-fidelity simulation versus computer-based case study

    Directory of Open Access Journals (Sweden)

    Vilma Mejía

    Full Text Available Abstract Introduction: The primary purpose of this study was to compare the effect of high fidelity simulation versus a computer-based case solving self-study, in skills acquisition about malignant hyperthermia on first year anesthesiology residents. Methods: After institutional ethical committee approval, 31 first year anesthesiology residents were enrolled in this prospective randomized single-blinded study. Participants were randomized to either a High Fidelity Simulation Scenario or a computer-based Case Study about malignant hyperthermia. After the intervention, all subjects' performance in was assessed through a high fidelity simulation scenario using a previously validated assessment rubric. Additionally, knowledge tests and a satisfaction survey were applied. Finally, a semi-structured interview was done to assess self-perception of reasoning process and decision-making. Results: 28 first year residents finished successfully the study. Resident's management skill scores were globally higher in High Fidelity Simulation versus Case Study, however they were significant in 4 of the 8 performance rubric elements: recognize signs and symptoms (p = 0.025, prioritization of initial actions of management (p = 0.003, recognize complications (p = 0.025 and communication (p = 0.025. Average scores from pre- and post-test knowledge questionnaires improved from 74% to 85% in the High Fidelity Simulation group, and decreased from 78% to 75% in the Case Study group (p = 0.032. Regarding the qualitative analysis, there was no difference in factors influencing the student's process of reasoning and decision-making with both teaching strategies. Conclusion: Simulation-based training with a malignant hyperthermia high-fidelity scenario was superior to computer-based case study, improving knowledge and skills in malignant hyperthermia crisis management, with a very good satisfaction level in anesthesia residents.

  15. Computer simulation study of the displacement threshold-energy surface in Cu

    International Nuclear Information System (INIS)

    King, W.E.; Benedek, R.

    1981-01-01

    Computer simulations were performed using the molecular-dynamics technique to determine the directional dependence of the threshold energy for production of stable Frenkel pairs in copper. Sharp peaks were observed in the simulated threshold energy surface in between the low-index directions. Threshold energies ranged from approx.25 eV for directions near or to 180 eV at the position of the peak between and . The general topographical features of the simulated threshold-energy surface are in good agreement with those determined from an analysis of recent experiments by King et al. on the basis of a Frenkel-pair resistivity rho/sub F/ = 2.85 x 10 -4 Ω cm. Evidence is presented in favor of this number as opposed to the usually assumed value, rho/sub F/ = 2.00 x 10 -4 Ω cm. The energy dependence of defect production in a number of directions was investigated to determine the importance of nonproductive events above threshold

  16. Simulating chemistry using quantum computers.

    Science.gov (United States)

    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.

  17. Anybody can do Value at Risk: A Teaching Study using Parametric Computation and Monte Carlo Simulation

    Directory of Open Access Journals (Sweden)

    Yun Hsing Cheung

    2012-12-01

    Full Text Available The three main Value at Risk (VaR methodologies are historical, parametric and Monte Carlo Simulation.Cheung & Powell (2012, using a step-by-step teaching study, showed how a nonparametric historical VaRmodel could be constructed using Excel, thus benefitting teachers and researchers by providing them with areadily useable teaching study and an inexpensive and flexible VaR modelling option. This article extends thatwork by demonstrating how parametric and Monte Carlo Simulation VaR models can also be constructed inExcel, thus providing a total Excel modelling package encompassing all three VaR methods.

  18. Purex optimization by computer simulation

    International Nuclear Information System (INIS)

    Campbell, T.G.; McKibben, J.M.

    1980-08-01

    For the past 2 years computer simulation has been used to study the performance of several solvent extraction banks in the Purex facility at the Savannah River Plant in Aiken, South Carolina. Individual process parameters were varied about their normal base case values to determine their individual effects on concentration profiles and end-stream compositions. The data are presented in graphical form to show the extent to which product losses, decontamination factors, solvent extraction bank inventories of fissile materials, and other key properties are affected by process changes. Presented in this way, the data are useful for adapting flowsheet conditions to a particular feed material or product specification, and for evaluating nuclear safety as related to bank inventories

  19. Single-particle and collective dynamics of methanol confined in carbon nanotubes: a computer simulation study

    International Nuclear Information System (INIS)

    Garberoglio, Giovanni

    2010-01-01

    We present the results of computer simulations of methanol confined in carbon nanotubes. Different levels of confinement were identified as a function of the nanotube radius and characterized using a pair-distribution function adapted to the cylindrical geometry of these systems. Dynamical properties of methanol were also analysed as a function of the nanotube size, both at the level of single-particle and collective properties. We found that confinement in narrow carbon nanotubes strongly affects the dynamical properties of methanol with respect to the bulk phase, due to the strong interaction with the carbon nanotube. In the other cases, confined methanol shows properties quite similar to those of the bulk phase. These phenomena are related to the peculiar hydrogen bonded network of methanol and are compared to the behaviour of water confined in similar conditions. The effect of nanotube flexibility on the dynamical properties of confined methanol is also discussed.

  20. Nanocrystalline material in toroidal cores for current transformer: analytical study and computational simulations

    Directory of Open Access Journals (Sweden)

    Benedito Antonio Luciano

    2005-12-01

    Full Text Available Based on electrical and magnetic properties, such as saturation magnetization, initial permeability, and coercivity, in this work are presented some considerations about the possibilities of applications of nanocrystalline alloys in toroidal cores for current transformers. It is discussed how the magnetic characteristics of the core material affect the performance of the current transformer. From the magnetic characterization and the computational simulations, using the finite element method (FEM, it has been verified that, at the typical CT operation value of flux density, the nanocrystalline alloys properties reinforce the hypothesis that the use of these materials in measurement CT cores can reduce the ratio and phase errors and can also improve its accuracy class.

  1. Characterization of 3-D particle distribution and effects on recrystallization studied by computer simulation

    International Nuclear Information System (INIS)

    Fridy, J.M.; Marthinsen, K.; Rouns, T.N.; Lippert, K.B.; Nes, E.; Richmond, O.

    1992-12-01

    Artificial particle distribution in three dimensions with different degree of clustering have been generated and used as nucleation sites for the simulation of particle stimulated recrystallization with site saturation nucleation kinetics. The clustering has a strong effect on both the Avrami exponent and the resulting sectioned grain size distributions. The Avrami exponent decreases rapidly from the expected value of 3 with the degree of clustering. A value of less than 1.5 is obtained for the Avrami exponent with a strongly clustered distribution of nucleation sites. The size distributions of sectioned grain areas are considerably broadened with clustering, but are still far from the log-normal distributions observed experimentally. A computer program has been developed to generate particle distributions whose pair correlation functions match experimentally measured functions. 15 refs., 6 figs

  2. Irreversible colloidal agglomeration in presence of associative inhibitors: Computer simulation study

    International Nuclear Information System (INIS)

    Barcenas, Mariana; Duda, Yurko

    2007-01-01

    Monte Carlo simulation is employed to study the irreversible particle-cluster agglomeration of valence-limited colloids affected by associative inhibitors. The cluster size distribution and number of connections between colloids are analyzed as a function of density and inhibitor concentration. The influence of colloid functionality on its aggregation is discussed

  3. Computer Simulation of Diffraction Patterns.

    Science.gov (United States)

    Dodd, N. A.

    1983-01-01

    Describes an Apple computer program (listing available from author) which simulates Fraunhofer and Fresnel diffraction using vector addition techniques (vector chaining) and allows user to experiment with different shaped multiple apertures. Graphics output include vector resultants, phase difference, diffraction patterns, and the Cornu spiral…

  4. Computer Based Modelling and Simulation

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 3. Computer Based Modelling and Simulation - Modelling Deterministic Systems. N K Srinivasan. General Article Volume 6 Issue 3 March 2001 pp 46-54. Fulltext. Click here to view fulltext PDF. Permanent link:

  5. Computer simulation of the heavy-duty turbo-compounded diesel cycle for studies of engine efficiency and performance

    Science.gov (United States)

    Assanis, D. N.; Ekchian, J. A.; Heywood, J. B.; Replogle, K. K.

    1984-01-01

    Reductions in heat loss at appropriate points in the diesel engine which result in substantially increased exhaust enthalpy were shown. The concepts for this increased enthalpy are the turbocharged, turbocompounded diesel engine cycle. A computer simulation of the heavy duty turbocharged turbo-compounded diesel engine system was undertaken. This allows the definition of the tradeoffs which are associated with the introduction of ceramic materials in various parts of the total engine system, and the study of system optimization. The basic assumptions and the mathematical relationships used in the simulation of the model engine are described.

  6. Validity and Reliability of Orthodontic Loops between Mechanical Testing and Computer Simulation: An Finite Element Method Study

    Directory of Open Access Journals (Sweden)

    Gaurav Sepolia

    2014-01-01

    Full Text Available The magnitude and direction of orthodontic force is one of the essential concerns of orthodontic tooth movements. Excessive force may cause root resorption and mobility of the tooth, whereas low force level may results in prolonged treatment. The addition of loops allows the clinician to more accurately achieve the desired results. Aims and objectives: The purpose of the study was to evaluate the validity and reliability of orthodontic loops between mechanical testing and computer simulation. Materials and methods: Different types of loops were taken and divided into four groups: The Teardrop loop, Opus loop, L loop and T loop. These were artificially activated for multiple lengths and studied using the FEM. Results: The Teardrop loop showed the highest force level, and there is no significant difference between mechanical testing and computer simulation.

  7. Computational modeling to predict mechanical function of joints: application to the lower leg with simulation of two cadaver studies.

    Science.gov (United States)

    Liacouras, Peter C; Wayne, Jennifer S

    2007-12-01

    Computational models of musculoskeletal joints and limbs can provide useful information about joint mechanics. Validated models can be used as predictive devices for understanding joint function and serve as clinical tools for predicting the outcome of surgical procedures. A new computational modeling approach was developed for simulating joint kinematics that are dictated by bone/joint anatomy, ligamentous constraints, and applied loading. Three-dimensional computational models of the lower leg were created to illustrate the application of this new approach. Model development began with generating three-dimensional surfaces of each bone from CT images and then importing into the three-dimensional solid modeling software SOLIDWORKS and motion simulation package COSMOSMOTION. Through SOLIDWORKS and COSMOSMOTION, each bone surface file was filled to create a solid object and positioned necessary components added, and simulations executed. Three-dimensional contacts were added to inhibit intersection of the bones during motion. Ligaments were represented as linear springs. Model predictions were then validated by comparison to two different cadaver studies, syndesmotic injury and repair and ankle inversion following ligament transection. The syndesmotic injury model was able to predict tibial rotation, fibular rotation, and anterior/posterior displacement. In the inversion simulation, calcaneofibular ligament extension and angles of inversion compared well. Some experimental data proved harder to simulate accurately, due to certain software limitations and lack of complete experimental data. Other parameters that could not be easily obtained experimentally can be predicted and analyzed by the computational simulations. In the syndesmotic injury study, the force generated in the tibionavicular and calcaneofibular ligaments reduced with the insertion of the staple, indicating how this repair technique changes joint function. After transection of the calcaneofibular

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

    Science.gov (United States)

    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.

  9. Computer simulation in cell radiobiology

    International Nuclear Information System (INIS)

    Yakovlev, A.Y.; Zorin, A.V.

    1988-01-01

    This research monograph demonstrates the possible ways of using stochastic simulation for exploring cell kinetics, emphasizing the effects of cell radiobiology. In vitro kinetics of normal and irradiated cells is the main subject, but some approaches to the simulation of controlled cell systems are considered as well: the epithelium of the small intestine in mice taken as a case in point. Of particular interest is the evaluation of simulation modelling as a tool for gaining insight into biological processes and hence the new inferences from concrete experimental data, concerning regularities in cell population response to irradiation. The book is intended to stimulate interest among computer science specialists in developing new, more efficient means for the simulation of cell systems and to help radiobiologists in interpreting the experimental data

  10. Monte Carlo simulations of adult and pediatric computed tomography exams: Validation studies of organ doses with physical phantoms

    International Nuclear Information System (INIS)

    Long, Daniel J.; Lee, Choonsik; Tien, Christopher; Fisher, Ryan; Hoerner, Matthew R.; Hintenlang, David; Bolch, Wesley E.

    2013-01-01

    Purpose: To validate the accuracy of a Monte Carlo source model of the Siemens SOMATOM Sensation 16 CT scanner using organ doses measured in physical anthropomorphic phantoms. Methods: The x-ray output of the Siemens SOMATOM Sensation 16 multidetector CT scanner was simulated within the Monte Carlo radiation transport code, MCNPX version 2.6. The resulting source model was able to perform various simulated axial and helical computed tomographic (CT) scans of varying scan parameters, including beam energy, filtration, pitch, and beam collimation. Two custom-built anthropomorphic phantoms were used to take dose measurements on the CT scanner: an adult male and a 9-month-old. The adult male is a physical replica of University of Florida reference adult male hybrid computational phantom, while the 9-month-old is a replica of University of Florida Series B 9-month-old voxel computational phantom. Each phantom underwent a series of axial and helical CT scans, during which organ doses were measured using fiber-optic coupled plastic scintillator dosimeters developed at University of Florida. The physical setup was reproduced and simulated in MCNPX using the CT source model and the computational phantoms upon which the anthropomorphic phantoms were constructed. Average organ doses were then calculated based upon these MCNPX results. Results: For all CT scans, good agreement was seen between measured and simulated organ doses. For the adult male, the percent differences were within 16% for axial scans, and within 18% for helical scans. For the 9-month-old, the percent differences were all within 15% for both the axial and helical scans. These results are comparable to previously published validation studies using GE scanners and commercially available anthropomorphic phantoms. Conclusions: Overall results of this study show that the Monte Carlo source model can be used to accurately and reliably calculate organ doses for patients undergoing a variety of axial or helical CT

  11. A digital computer simulation and study of a direct-energy-transfer power-conditioning system

    Science.gov (United States)

    Burns, W. W., III; Owen, H. A., Jr.; Wilson, T. G.; Rodriguez, G. E.; Paulkovich, J.

    1975-01-01

    An investigation of the behavior of the power-conditioning system as a whole is a necessity to ensure the integrity of the aggregate system in the case of space applications. An approach for conducting such an investigation is considered. A description is given of the application of a general digital analog simulator program to the study of an aggregate power-conditioning system which is being developed for use on the International Ultraviolet Explorer spacecraft. The function of the direct energy transfer system studied involves a coupling of a solar array through a main distribution bus to the spacecraft electrical loads.

  12. Computational simulator of robotic manipulators

    International Nuclear Information System (INIS)

    Leal, Alexandre S.; Campos, Tarcisio P.R.

    1995-01-01

    Robotic application for industrial plants is discussed and a computational model for a mechanical manipulator of three links is presented. A neural network feed-forward type has been used to model the dynamic control of the manipulator. A graphic interface was developed in C programming language as a virtual world in order to visualize and simulate the arm movements handling radioactive waste environment. (author). 7 refs, 5 figs

  13. Computer simulation of nonequilibrium processes

    International Nuclear Information System (INIS)

    Wallace, D.C.

    1985-07-01

    The underlying concepts of nonequilibrium statistical mechanics, and of irreversible thermodynamics, will be described. The question at hand is then, how are these concepts to be realize in computer simulations of many-particle systems. The answer will be given for dissipative deformation processes in solids, on three hierarchical levels: heterogeneous plastic flow, dislocation dynamics, an molecular dynamics. Aplication to the shock process will be discussed

  14. Glass polymorphism in glycerol–water mixtures: I. A computer simulation study

    Science.gov (United States)

    Jahn, David A.; Wong, Jessina; Bachler, Johannes; Loerting, Thomas

    2016-01-01

    We perform out-of-equilibrium molecular dynamics (MD) simulations of water–glycerol mixtures in the glass state. Specifically, we study the transformations between low-density (LDA) and high-density amorphous (HDA) forms of these mixtures induced by compression/decompression at constant temperature. Our MD simulations reproduce qualitatively the density changes observed in experiments. Specifically, the LDA–HDA transformation becomes (i) smoother and (ii) the hysteresis in a compression/decompression cycle decreases as T and/or glycerol content increase. This is surprising given the fast compression/decompression rates (relative to experiments) accessible in MD simulations. We study mixtures with glycerol molar concentration χ g = 0–13% and find that, for the present mixture models and rates, the LDA–HDA transformation is detectable up to χ g ≈ 5%. As the concentration increases, the density of the starting glass (i.e., LDA at approximately χ g ≤ 5%) rapidly increases while, instead, the density of HDA remains practically constant. Accordingly, the LDA state and hence glass polymorphism become inaccessible for glassy mixtures with approximately χ g > 5%. We present an analysis of the molecular-level changes underlying the LDA–HDA transformation. As observed in pure glassy water, during the LDA-to-HDA transformation, water molecules within the mixture approach each other, moving from the second to the first hydration shell and filling the first interstitial shell of water molecules. Interestingly, similar changes also occur around glycerol OH groups. It follows that glycerol OH groups contribute to the density increase during the LDA–HDA transformation. An analysis of the hydrogen bond (HB)-network of the mixtures shows that the LDA–HDA transformation is accompanied by minor changes in the number of HBs of water and glycerol. Instead, large changes in glycerol and water coordination numbers occur. We also perform a detailed analysis of the

  15. Glass polymorphism in glycerol-water mixtures: I. A computer simulation study.

    Science.gov (United States)

    Jahn, David A; Wong, Jessina; Bachler, Johannes; Loerting, Thomas; Giovambattista, Nicolas

    2016-04-28

    We perform out-of-equilibrium molecular dynamics (MD) simulations of water-glycerol mixtures in the glass state. Specifically, we study the transformations between low-density (LDA) and high-density amorphous (HDA) forms of these mixtures induced by compression/decompression at constant temperature. Our MD simulations reproduce qualitatively the density changes observed in experiments. Specifically, the LDA-HDA transformation becomes (i) smoother and (ii) the hysteresis in a compression/decompression cycle decreases as T and/or glycerol content increase. This is surprising given the fast compression/decompression rates (relative to experiments) accessible in MD simulations. We study mixtures with glycerol molar concentration χ(g) = 0-13% and find that, for the present mixture models and rates, the LDA-HDA transformation is detectable up to χ(g) ≈ 5%. As the concentration increases, the density of the starting glass (i.e., LDA at approximately χ(g) ≤ 5%) rapidly increases while, instead, the density of HDA remains practically constant. Accordingly, the LDA state and hence glass polymorphism become inaccessible for glassy mixtures with approximately χ(g) > 5%. We present an analysis of the molecular-level changes underlying the LDA-HDA transformation. As observed in pure glassy water, during the LDA-to-HDA transformation, water molecules within the mixture approach each other, moving from the second to the first hydration shell and filling the first interstitial shell of water molecules. Interestingly, similar changes also occur around glycerol OH groups. It follows that glycerol OH groups contribute to the density increase during the LDA-HDA transformation. An analysis of the hydrogen bond (HB)-network of the mixtures shows that the LDA-HDA transformation is accompanied by minor changes in the number of HBs of water and glycerol. Instead, large changes in glycerol and water coordination numbers occur. We also perform a detailed analysis of the effects that

  16. Computational Fluid Dynamic Simulation (CFD and Experimental Study on Wing-external Store Aerodynamic Interference of a Subsonic Fighter Aircraft

    Directory of Open Access Journals (Sweden)

    Tholudin Mat Lazim

    2003-01-01

    Full Text Available The main objective of the present work is to study the effect of an external store on a subsonic fighter aircraft. Generally most modern fighter aircrafts are designed with an external store installation. In this study, a subsonic fighter aircraft model has been manufactured using a computer numerical control machine for the purpose of studying the effect of the aerodynamic interference of the external store on the flow around the aircraft wing. A computational fluid dynamic (CFD simulation was also carried out on the same configuration. Both the CFD and the wind tunnel testing were carried out at a Reynolds number 1.86×105 to ensure that the aerodynamic characteristic can certify that the aircraft will not be face any difficulties in its stability and controllability. Both the experiments and the simulation were carried out at the same Reynolds number in order to verify each other. In the CFD simulation, a commercial CFD code was used to simulate the interference and aerodynamic characteristics of the model. Subsequently, the model together with an external store was tested in a low speed wind tunnel with a test section sized 0.45 m×0.45 m. Measured and computed results for the two-dimensional pressure distribution were satisfactorily comparable. There is only a 19% deviation between pressure distribution measured in wind tunnel testing and the result predicted by the CFD. The result shows that the effect of the external storage is only significant on the lower surface of the wing and almost negligible on the upper surface of the wing. Aerodynamic interference due to the external store was most evident on the lower surface of the wing and almost negligible on the upper surface at a low angle of attack. In addition, the area of influence on the wing surface by the store interference increased as the airspeed increased.

  17. Computer simulation of liquid crystals

    International Nuclear Information System (INIS)

    McBride, C.

    1999-01-01

    Molecular dynamics simulation performed on modern computer workstations provides a powerful tool for the investigation of the static and dynamic characteristics of liquid crystal phases. In this thesis molecular dynamics computer simulations have been performed for two model systems. Simulations of 4,4'-di-n-pentyl-bibicyclo[2.2.2]octane demonstrate the growth of a structurally ordered phase directly from an isotropic fluid. This is the first time that this has been achieved for an atomistic model. The results demonstrate a strong coupling between orientational ordering and molecular shape, but indicate that the coupling between molecular conformational changes and molecular reorientation is relatively weak. Simulations have also been performed for a hybrid Gay-Berne/Lennard-Jones model resulting in thermodynamically stable nematic and smectic phases. Frank elastic constants have been calculated for the nematic phase formed by the hybrid model through analysis of the fluctuations of the nematic director, giving results comparable with those found experimentally. Work presented in this thesis also describes the parameterization of the torsional potential of a fragment of a dimethyl siloxane polymer chain, disiloxane diol (HOMe 2 Si) 2 O, using ab initio quantum mechanical calculations. (author)

  18. Inversion based on computational simulations

    International Nuclear Information System (INIS)

    Hanson, K.M.; Cunningham, G.S.; Saquib, S.S.

    1998-01-01

    A standard approach to solving inversion problems that involve many parameters uses gradient-based optimization to find the parameters that best match the data. The authors discuss enabling techniques that facilitate application of this approach to large-scale computational simulations, which are the only way to investigate many complex physical phenomena. Such simulations may not seem to lend themselves to calculation of the gradient with respect to numerous parameters. However, adjoint differentiation allows one to efficiently compute the gradient of an objective function with respect to all the variables of a simulation. When combined with advanced gradient-based optimization algorithms, adjoint differentiation permits one to solve very large problems of optimization or parameter estimation. These techniques will be illustrated through the simulation of the time-dependent diffusion of infrared light through tissue, which has been used to perform optical tomography. The techniques discussed have a wide range of applicability to modeling including the optimization of models to achieve a desired design goal

  19. Image-guided adaptive gating of lung cancer radiotherapy: a computer simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Aristophanous, Michalis; Rottmann, Joerg; Park, Sang-June; Berbeco, Ross I [Department of Radiation Oncology, Brigham and Women' s Hospital, Dana Farber Cancer Institute and Harvard Medical School, Boston, MA (United States); Nishioka, Seiko [Department of Radiology, NTT Hospital, Sapporo (Japan); Shirato, Hiroki, E-mail: maristophanous@lroc.harvard.ed [Department of Radiation Medicine, Hokkaido University School of Medicine, Sapporo (Japan)

    2010-08-07

    The purpose of this study is to investigate the effect that image-guided adaptation of the gating window during treatment could have on the residual tumor motion, by simulating different gated radiotherapy techniques. There are three separate components of this simulation: (1) the 'Hokkaido Data', which are previously measured 3D data of lung tumor motion tracks and the corresponding 1D respiratory signals obtained during the entire ungated radiotherapy treatments of eight patients, (2) the respiratory gating protocol at our institution and the imaging performed under that protocol and (3) the actual simulation in which the Hokkaido Data are used to select tumor position information that could have been collected based on the imaging performed under our gating protocol. We simulated treatments with a fixed gating window and a gating window that is updated during treatment. The patient data were divided into different fractions, each with continuous acquisitions longer than 2 min. In accordance to the imaging performed under our gating protocol, we assume that we have tumor position information for the first 15 s of treatment, obtained from kV fluoroscopy, and for the rest of the fractions the tumor position is only available during the beam-on time from MV imaging. The gating window was set according to the information obtained from the first 15 s such that the residual motion was less than 3 mm. For the fixed gating window technique the gate remained the same for the entire treatment, while for the adaptive technique the range of the tumor motion during beam-on time was measured and used to adapt the gating window to keep the residual motion below 3 mm. The algorithm used to adapt the gating window is described. The residual tumor motion inside the gating window was reduced on average by 24% for the patients with regular breathing patterns and the difference was statistically significant (p-value = 0.01). The magnitude of the residual tumor motion

  20. Parallel Computing for Brain Simulation.

    Science.gov (United States)

    Pastur-Romay, L A; Porto-Pazos, A B; Cedron, F; Pazos, A

    2017-01-01

    The human brain is the most complex system in the known universe, it is therefore one of the greatest mysteries. It provides human beings with extraordinary abilities. However, until now it has not been understood yet how and why most of these abilities are produced. For decades, researchers have been trying to make computers reproduce these abilities, focusing on both understanding the nervous system and, on processing data in a more efficient way than before. Their aim is to make computers process information similarly to the brain. Important technological developments and vast multidisciplinary projects have allowed creating the first simulation with a number of neurons similar to that of a human brain. This paper presents an up-to-date review about the main research projects that are trying to simulate and/or emulate the human brain. They employ different types of computational models using parallel computing: digital models, analog models and hybrid models. This review includes the current applications of these works, as well as future trends. It is focused on various works that look for advanced progress in Neuroscience and still others which seek new discoveries in Computer Science (neuromorphic hardware, machine learning techniques). Their most outstanding characteristics are summarized and the latest advances and future plans are presented. In addition, this review points out the importance of considering not only neurons: Computational models of the brain should also include glial cells, given the proven importance of astrocytes in information processing. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  1. FPGA-accelerated simulation of computer systems

    CERN Document Server

    Angepat, Hari; Chung, Eric S; Hoe, James C; Chung, Eric S

    2014-01-01

    To date, the most common form of simulators of computer systems are software-based running on standard computers. One promising approach to improve simulation performance is to apply hardware, specifically reconfigurable hardware in the form of field programmable gate arrays (FPGAs). This manuscript describes various approaches of using FPGAs to accelerate software-implemented simulation of computer systems and selected simulators that incorporate those techniques. More precisely, we describe a simulation architecture taxonomy that incorporates a simulation architecture specifically designed f

  2. Creating science simulations through Computational Thinking Patterns

    Science.gov (United States)

    Basawapatna, Ashok Ram

    Computational thinking aims to outline fundamental skills from computer science that everyone should learn. As currently defined, with help from the National Science Foundation (NSF), these skills include problem formulation, logically organizing data, automating solutions through algorithmic thinking, and representing data through abstraction. One aim of the NSF is to integrate these and other computational thinking concepts into the classroom. End-user programming tools offer a unique opportunity to accomplish this goal. An end-user programming tool that allows students with little or no prior experience the ability to create simulations based on phenomena they see in-class could be a first step towards meeting most, if not all, of the above computational thinking goals. This thesis describes the creation, implementation and initial testing of a programming tool, called the Simulation Creation Toolkit, with which users apply high-level agent interactions called Computational Thinking Patterns (CTPs) to create simulations. Employing Computational Thinking Patterns obviates lower behavior-level programming and allows users to directly create agent interactions in a simulation by making an analogy with real world phenomena they are trying to represent. Data collected from 21 sixth grade students with no prior programming experience and 45 seventh grade students with minimal programming experience indicates that this is an effective first step towards enabling students to create simulations in the classroom environment. Furthermore, an analogical reasoning study that looked at how users might apply patterns to create simulations from high- level descriptions with little guidance shows promising results. These initial results indicate that the high level strategy employed by the Simulation Creation Toolkit is a promising strategy towards incorporating Computational Thinking concepts in the classroom environment.

  3. Computational Study of Subdural Cortical Stimulation: Effects of Simulating Anisotropic Conductivity on Activation of Cortical Neurons.

    Directory of Open Access Journals (Sweden)

    Hyeon Seo

    Full Text Available Subdural cortical stimulation (SuCS is an appealing method in the treatment of neurological disorders, and computational modeling studies of SuCS have been applied to determine the optimal design for electrotherapy. To achieve a better understanding of computational modeling on the stimulation effects of SuCS, the influence of anisotropic white matter conductivity on the activation of cortical neurons was investigated in a realistic head model. In this paper, we constructed pyramidal neuronal models (layers 3 and 5 that showed primary excitation of the corticospinal tract, and an anatomically realistic head model reflecting complex brain geometry. The anisotropic information was acquired from diffusion tensor magnetic resonance imaging (DT-MRI and then applied to the white matter at various ratios of anisotropic conductivity. First, we compared the isotropic and anisotropic models; compared to the isotropic model, the anisotropic model showed that neurons were activated in the deeper bank during cathodal stimulation and in the wider crown during anodal stimulation. Second, several popular anisotropic principles were adapted to investigate the effects of variations in anisotropic information. We observed that excitation thresholds varied with anisotropic principles, especially with anodal stimulation. Overall, incorporating anisotropic conductivity into the anatomically realistic head model is critical for accurate estimation of neuronal responses; however, caution should be used in the selection of anisotropic information.

  4. A critical assessment of capillary condensation and evaporation equations: a computer simulation study.

    Science.gov (United States)

    Wongkoblap, A; Do, D D; Birkett, G; Nicholson, D

    2011-04-15

    Grand Canonical Monte Carlo simulation (GCMC) is used to study the capillary condensation and evaporation of argon adsorption in finite-length carbon cylindrical nanopores. From the simulation results of local density distributions in the radial and axial directions we obtain the contact angle and the core radii just before condensation and just after evaporation. These are then used in the Kelvin equation (evaporation) and Cohan equation (condensation) to obtain the product of surface tension and liquid molar volume. This product is found to be always greater than for the bulk liquid. We test this deviation with pores of different length and radius and find that both affect the derived product of surface tension and liquid molar volume. The implication of this finding is that if the values of surface tension and liquid molar volume of the bulk phase are used in the Kelvin equation the pore radius will be underestimated. For argon adsorption in cylindrical pores we propose that the Kelvin and Cohan equations should be modified to take account of the difference between the fluid in the adsorbed phase in the confined space and that in the bulk phase. Copyright © 2011 Elsevier Inc. All rights reserved.

  5. A study of the free vibration of suspension rod based on four-stage arm mechanism by using computer simulation

    Directory of Open Access Journals (Sweden)

    Melnychuk S.V.

    2016-08-01

    Full Text Available We analyze the current state of the prospects and problems of using computer technology to determine the operating parameters of movement of the vehicle. Scientific works related to the study of the properties of the vehicle smooth ride are studied. The following example shows that the modern researches of smooth ride do not pay enough attention to issues associated with the processes that occur in the suspension rod of a vehicle. Scientific works related to the choice of the optimal and simple CAD system for conducting computer simulation tests are overviewed. We developed an animating model of experimental car in SOLIDWORKS environment with the staff suspension rod and the suspension rod based on four-stage arm mechanism, which allows a wide range of tests of components of the vehicle. Methodology and hardware-software complex for testing a car are developed. A test of a vehicle of category N1 is conducted. A computer simulation of the motion of the smooth ride of the car with suspension rod based on four-stage arm mechanism is conducted. The comparative analysis of suspension rod performance based on four-stage arm mechanism is conducted.

  6. Computational study of nonlinear plasma waves. I. Simulation model and monochromatic wave propagtion

    International Nuclear Information System (INIS)

    Matda, Y.; Crawford, F.W.

    1974-12-01

    An economical low noise plasma simulation model is applied to a series of problems associated with electrostatic wave propagation in a one-dimensional, collisionless, Maxwellian plasma, in the absence of magnetic field. The model is described and tested, first in the absence of an applied signal, and then with a small amplitude perturbation, to establish the low noise features and to verify the theoretical linear dispersion relation at wave energy levels as low as 0.000,001 of the plasma thermal energy. The method is then used to study propagation of an essentially monochromatic plane wave. Results on amplitude oscillation and nonlinear frequency shift are compared with available theories. The additional phenomena of sideband instability and satellite growth, stimulated by large amplitude wave propagation and the resulting particle trapping, are described. (auth)

  7. Computer simulation of fatigue under diametrical compression

    OpenAIRE

    Carmona, H. A.; Kun, F.; Andrade Jr., J. S.; Herrmann, H. J.

    2006-01-01

    We study the fatigue fracture of disordered materials by means of computer simulations of a discrete element model. We extend a two-dimensional fracture model to capture the microscopic mechanisms relevant for fatigue, and we simulate the diametric compression of a disc shape specimen under a constant external force. The model allows to follow the development of the fracture process on the macro- and micro-level varying the relative influence of the mechanisms of damage accumulation over the ...

  8. Computer simulation of hopper flow

    International Nuclear Information System (INIS)

    Potapov, A.V.; Campbell, C.S.

    1996-01-01

    This paper describes two-dimensional computer simulations of granular flow in plane hoppers. The simulations can reproduce an experimentally observed asymmetric unsteadiness for monodispersed particle sizes, but also could eliminate it by adding a small amount of polydispersity. This appears to be a result of the strong packings that may be formed by monodispersed particles and is thus a noncontinuum effect. The internal stress state was also sampled, which among other things, allows an evaluation of common assumptions made in granular material models. These showed that the internal friction coefficient is far from a constant, which is in contradiction to common models based on plasticity theory which assume that the material is always at the point of imminent yield. Furthermore, it is demonstrated that rapid granular flow theory, another common modeling technique, is inapplicable to this problem even near the exit where the flow is moving its fastest. copyright 1996 American Institute of Physics

  9. COMPUTATIONAL MODELING AND SIMULATION IN BIOLOGY TEACHING: A MINIMALLY EXPLORED FIELD OF STUDY WITH A LOT OF POTENTIAL

    Directory of Open Access Journals (Sweden)

    Sonia López

    2016-09-01

    Full Text Available This study is part of a research project that aims to characterize the epistemological, psychological and didactic presuppositions of science teachers (Biology, Physics, Chemistry that implement Computational Modeling and Simulation (CMS activities as a part of their teaching practice. We present here a synthesis of a literature review on the subject, evidencing how in the last two decades this form of computer usage for science teaching has boomed in disciplines such as Physics and Chemistry, but in a lesser degree in Biology. Additionally, in the works that dwell on the use of CMS in Biology, we identified a lack of theoretical bases that support their epistemological, psychological and/or didactic postures. Accordingly, this generates significant considerations for the fields of research and teacher instruction in Science Education.

  10. Computational system to create an entry file for replicating I-125 seeds simulating brachytherapy case studies using the MCNPX code

    Directory of Open Access Journals (Sweden)

    Leonardo da Silva Boia

    2014-03-01

    Full Text Available Purpose: A computational system was developed for this paper in the C++ programming language, to create a 125I radioactive seed entry file, based on the positioning of a virtual grid (template in voxel geometries, with the purpose of performing prostate cancer treatment simulations using the MCNPX code.Methods: The system is fed with information from the planning system with regard to each seed’s location and its depth, and an entry file is automatically created with all the cards (instructions for each seed regarding their cell blocks and surfaces spread out spatially in the 3D environment. The system provides with precision a reproduction of the clinical scenario for the MCNPX code’s simulation environment, thereby allowing the technique’s in-depth study.Results and Conclusion: The preliminary results from this study showed that the lateral penumbra of uniform scanning proton beams was less sensitive In order to validate the computational system, an entry file was created with 88 125I seeds that were inserted in the phantom’s MAX06 prostate region with initial activity determined for the seeds at the 0.27 mCi value. Isodose curves were obtained in all the prostate slices in 5 mm steps in the 7 to 10 cm interval, totaling 7 slices. Variance reduction techniques were applied in order to optimize computational time and the reduction of uncertainties such as photon and electron energy interruptions in 4 keV and forced collisions regarding cells of interest. Through the acquisition of isodose curves, the results obtained show that hot spots have values above 300 Gy, as anticipated in literature, stressing the importance of the sources’ correct positioning, in which the computational system developed provides, in order not to release excessive doses in adjacent risk organs. The 144 Gy prescription curve showed in the validation process that it covers perfectly a large percentage of the volume, at the same time that it demonstrates a large

  11. A computer simulation study comparing lesion detection accuracy with digital mammography, breast tomosynthesis, and cone-beam CT breast imaging

    International Nuclear Information System (INIS)

    Gong Xing; Glick, Stephen J.; Liu, Bob; Vedula, Aruna A.; Thacker, Samta

    2006-01-01

    Although conventional mammography is currently the best modality to detect early breast cancer, it is limited in that the recorded image represents the superposition of a three-dimensional (3D) object onto a 2D plane. Recently, two promising approaches for 3D volumetric breast imaging have been proposed, breast tomosynthesis (BT) and CT breast imaging (CTBI). To investigate possible improvements in lesion detection accuracy with either breast tomosynthesis or CT breast imaging as compared to digital mammography (DM), a computer simulation study was conducted using simulated lesions embedded into a structured 3D breast model. The computer simulation realistically modeled x-ray transport through a breast model, as well as the signal and noise propagation through a CsI based flat-panel imager. Polyenergetic x-ray spectra of Mo/Mo 28 kVp for digital mammography, Mo/Rh 28 kVp for BT, and W/Ce 50 kVp for CTBI were modeled. For the CTBI simulation, the intensity of the x-ray spectra for each projection view was determined so as to provide a total average glandular dose of 4 mGy, which is approximately equivalent to that given in conventional two-view screening mammography. The same total dose was modeled for both the DM and BT simulations. Irregular lesions were simulated by using a stochastic growth algorithm providing lesions with an effective diameter of 5 mm. Breast tissue was simulated by generating an ensemble of backgrounds with a power law spectrum, with the composition of 50% fibroglandular and 50% adipose tissue. To evaluate lesion detection accuracy, a receiver operating characteristic (ROC) study was performed with five observers reading an ensemble of images for each case. The average area under the ROC curves (A z ) was 0.76 for DM, 0.93 for BT, and 0.94 for CTBI. Results indicated that for the same dose, a 5 mm lesion embedded in a structured breast phantom was detected by the two volumetric breast imaging systems, BT and CTBI, with statistically

  12. Software Engineering for Scientific Computer Simulations

    Science.gov (United States)

    Post, Douglass E.; Henderson, Dale B.; Kendall, Richard P.; Whitney, Earl M.

    2004-11-01

    Computer simulation is becoming a very powerful tool for analyzing and predicting the performance of fusion experiments. Simulation efforts are evolving from including only a few effects to many effects, from small teams with a few people to large teams, and from workstations and small processor count parallel computers to massively parallel platforms. Successfully making this transition requires attention to software engineering issues. We report on the conclusions drawn from a number of case studies of large scale scientific computing projects within DOE, academia and the DoD. The major lessons learned include attention to sound project management including setting reasonable and achievable requirements, building a good code team, enforcing customer focus, carrying out verification and validation and selecting the optimum computational mathematics approaches.

  13. A Review of Freely Available Quantum Computer Simulation Software

    OpenAIRE

    Brandhorst-Satzkorn, Johan

    2012-01-01

    A study has been made of a few different freely available Quantum Computer simulators. All the simulators tested are available online on their respective websites. A number of tests have been performed to compare the different simulators against each other. Some untested simulators of various programming languages are included to show the diversity of the quantum computer simulator applications. The conclusion of the review is that LibQuantum is the best of the simulators tested because of ea...

  14. Effective interactions in lysozyme aqueous solutions: a small-angle neutron scattering and computer simulation study.

    Science.gov (United States)

    Abramo, M C; Caccamo, C; Costa, D; Pellicane, G; Ruberto, R; Wanderlingh, U

    2012-01-21

    We report protein-protein structure factors of aqueous lysozyme solutions at different pH and ionic strengths, as determined by small-angle neutron scattering experiments. The observed upturn of the structure factor at small wavevectors, as the pH increases, marks a crossover between two different regimes, one dominated by repulsive forces, and another one where attractive interactions become prominent, with the ensuing development of enhanced density fluctuations. In order to rationalize such experimental outcome from a microscopic viewpoint, we have carried out extensive simulations of different coarse-grained models. We have first studied a model in which macromolecules are described as soft spheres interacting through an attractive r(-6) potential, plus embedded pH-dependent discrete charges; we show that the uprise undergone by the structure factor is qualitatively predicted. We have then studied a Derjaguin-Landau-Verwey-Overbeek (DLVO) model, in which only central interactions are advocated; we demonstrate that this model leads to a protein-rich/protein-poor coexistence curve that agrees quite well with the experimental counterpart; experimental correlations are instead reproduced only at low pH and ionic strengths. We have finally investigated a third, "mixed" model in which the central attractive term of the DLVO potential is imported within the distributed-charge approach; it turns out that the different balance of interactions, with a much shorter-range attractive contribution, leads in this latter case to an improved agreement with the experimental crossover. We discuss the relationship between experimental correlations, phase coexistence, and features of effective interactions, as well as possible paths toward a quantitative prediction of structural properties of real lysozyme solutions. © 2012 American Institute of Physics

  15. Using Computer Simulations in Chemistry Problem Solving

    Science.gov (United States)

    Avramiotis, Spyridon; Tsaparlis, Georgios

    2013-01-01

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

  16. 20170312 - Computer Simulation of Developmental ...

    Science.gov (United States)

    Rationale: Recent progress in systems toxicology and synthetic biology have paved the way to new thinking about in vitro/in silico modeling of developmental processes and toxicities, both for embryological and reproductive impacts. Novel in vitro platforms such as 3D organotypic culture models, engineered microscale tissues and complex microphysiological systems (MPS), together with computational models and computer simulation of tissue dynamics, lend themselves to a integrated testing strategies for predictive toxicology. As these emergent methodologies continue to evolve, they must be integrally tied to maternal/fetal physiology and toxicity of the developing individual across early lifestage transitions, from fertilization to birth, through puberty and beyond. Scope: This symposium will focus on how the novel technology platforms can help now and in the future, with in vitro/in silico modeling of complex biological systems for developmental and reproductive toxicity issues, and translating systems models into integrative testing strategies. The symposium is based on three main organizing principles: (1) that novel in vitro platforms with human cells configured in nascent tissue architectures with a native microphysiological environments yield mechanistic understanding of developmental and reproductive impacts of drug/chemical exposures; (2) that novel in silico platforms with high-throughput screening (HTS) data, biologically-inspired computational models of

  17. Study on operational condition of electro-decontamination by computer simulation

    International Nuclear Information System (INIS)

    Amamoto, Ippei; Sato, Koji; Kawabe, Akihiro; Fujita, Reiko; Terai, Takayuki

    2005-01-01

    The molten-salt electro-decontamination method can be taken up as adecontamination method for contaminated metal systems generated in the reprocessing using the fluoride volatility method, etc. This method makes a small amount of secondary waste and is able to construct a small-size process in which a critical state is easily controlled. It can be further expected that an electrolytic current penetrates inside contaminated substances of complex shape. In this report, an appropriate operational condition was theoretically obtained by the simulation on the applicability of this method to decontamination of metal materials, and it was confirmed by a fundamental testing that the simulation result is reasonable. (M.H.)

  18. Applying computer adaptive testing to optimize online assessment of suicidal behavior: a simulation study.

    NARCIS (Netherlands)

    de Beurs, D.P.; de Vries, A.L.M.; de Groot, M.H.; de Keijser, J.; Kerkhof, A.J.F.M.

    2014-01-01

    Background: The Internet is used increasingly for both suicide research and prevention. To optimize online assessment of suicidal patients, there is a need for short, good-quality tools to assess elevated risk of future suicidal behavior. Computer adaptive testing (CAT) can be used to reduce

  19. Sampling variability in forensic likelihood-ratio computation: A simulation study

    NARCIS (Netherlands)

    Ali, Tauseef; Spreeuwers, Lieuwe Jan; Veldhuis, Raymond N.J.; Meuwly, Didier

    2015-01-01

    Recently, in the forensic biometric community, there is a growing interest to compute a metric called “likelihood- ratio‿ when a pair of biometric specimens is compared using a biometric recognition system. Generally, a biomet- ric recognition system outputs a score and therefore a likelihood-ratio

  20. Effect of Preferential Solvation of Polymer Chains on Vapor-Pressure Osmometry Results. Computer Simulation Study.

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Martin; Lísal, Martin; Limpouchová, Z.; Procházka, Karel

    2018-01-01

    Roč. 23, č. 3 (2018), s. 244-251 ISSN 1023-666X R&D Projects: GA ČR GA15-19542S Institutional support: RVO:67985858 Keywords : vapor-pressure osmometry * simulation * solvatation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry

  1. Learning by computer simulation does not lead to better test performance than textbook study in the diagnosis and treatment of dysrhythmias.

    Science.gov (United States)

    Kim, Jong Hoon; Kim, Won Oak; Min, Kyeong Tae; Yang, Jong Yoon; Nam, Yong Taek

    2002-08-01

    To compare computer-based learning with traditional learning methods in studying advanced cardiac life support (ACLS). Prospective, randomized study. University hospital. Senior medical students were randomized to perform computer simulation and textbook study. Each group studied ACLS for 150 minutes. Tests were performed 1 week before, immediately after, and 1 week after the study period. Testing consisted of 20 questions. All questions were formulated in such a way that there was a single best answer. Each student also completed a questionnaire designed to assess computer skills, as well as satisfaction with and benefit from the study materials. Test scores improved after both textbook study and computer simulation study in both groups, although the improvement in scores was significantly higher for the textbook group only immediately after the study. There was no significant difference between groups in their computer skill and satisfaction with the study materials. The textbook group reported greater benefit from study materials than did the computer simulation group. Studying ACLS with a hard-copy textbook may be more effective than computer simulation for acquiring simple information during a brief period. However, the difference in effectiveness is likely transient.

  2. Pilot study on indoor climate investigation and computer simulation in historical museum building: Amerongen Castle, the Netherlands

    Directory of Open Access Journals (Sweden)

    Raha Sulaiman

    2010-12-01

    Full Text Available The indoor climate is one of the most important factors contributing to climate-induced damage to the building materials and cultural collections of a monumental building. The Dutch monumental building - Amerongen Castle, and the collections housed in it show severe deterioration caused by inappropriate historical indoor environment. Assessments of the indoor climate, especially on the room temperature and relative humidity, are necessary to analyze the causes and impacts of climate change. As the building was flooded in year 1993 and 1996, extra attention is paid to investigate the effects of flooding to it. This pilot study was aimed to identify the buildup linkages between the known past, historical data on indoor environment and indoor climate performance in the building through simulation based-prediction. This paper focuses on the methodology of indoor climate investigation from the past to the current situation. A hypothesis was developed on backcasting-based prediction simulation which can be used to identify the accepted historical indoor climate where during those times there probably was no damage to the building and the collection. A simulation method based on heat, air and moisture transport is used with the HAMBase program. The computer model representing the Grand Salon of Amerongen Castle was calibrated by comparing real measurements to simulation results. It shows that the differences were only to the minimum of -1.8C and maximum of 3.2C. The data for the historical outdoor weather files was obtained by interpolating outdoor ancient climatology constructed by MATLAB. Based on archival research, indoor thermal history was gathered as input for the profiles used in simulation. Further, the calibrated computer model can be used to simulate past indoor climate and investigate the process of the deterioration of the room and the collections mainly due to the fluctuation of indoor temperature and relative humidity. At the end

  3. Study of Propagation Mechanisms in Dynamical Railway Environment to Reduce Computation Time of 3D Ray Tracing Simulator

    Directory of Open Access Journals (Sweden)

    Siham Hairoud

    2013-01-01

    Full Text Available In order to better assess the behaviours of the propagation channel in a confined environment such as a railway tunnel for subway application, we present an optimization method for a deterministic channel simulator based on 3D ray tracing associated to the geometrical optics laws and the uniform theory of diffraction. This tool requires a detailed description of the environment. Thus, the complexity of this model is directly bound to the complexity of the environment and specifically to the number of facets that compose it. In this paper, we propose an algorithm to identify facets that have no significant impact on the wave propagation. This allows us to simplify the description of the geometry of the modelled environment by removing them and by this way, to reduce the complexity of our model and therefore its computation time. A comparative study between full and simplified environment is led and shows the impact of this proposed method on the characteristic parameters of the propagation channel. Thus computation time obtained from the simplified environment is 6 times lower than the one of the full model without significant degradation of simulation accuracy.

  4. Dual energy exposure control (DEEC) for computed tomography: Algorithm and simulation study

    International Nuclear Information System (INIS)

    Stenner, Philip; Kachelriess, Marc

    2008-01-01

    DECT means acquiring the same object at two different energies, respectively two different tube voltages U 1 and U 2 . The raw data q 1 and q 2 undergo a decomposition process of type p=p(q 1 ,q 2 ). The raw data p are reconstructed to obtain monochromatic images of the attenuation μ, of the object density ρ, or of a specific material distribution. Recent advances in DECT focus on noise reduction techniques [S. Richard and J. H. Siewerdsen, Med. Phys. 35(2), 586-600 (2008)] and enable high performance DECT such as lung nodule detection [Shkumat et al., Med. Phys. 35(2), 629-632 (2008)]. Given p and a raw data-based projection-wise patient dose estimation D(α) the authors determine the optimal tube current curves I 1 (α) and I 2 (α), with α being the view angle, which minimizes image noise for a given patient dose level. DEEC can perform online; I 1 (α) and I 2 (α) can be determined during the scan. Simulation studies using semianthropomorphic phantom data were carried out. In particular, functions p that generate μ-images and density images were evaluated. Image quality was compared to standard scans at U 0 =120 kV (clinical CT) and U 0 =45 kV (micro-CT) that were taken at the same dose level (D 0 =D 1 +D 2 ) and identical spatial resolution. Appropriate choice of p(q 1 ,q 2 ) allows to obtain μ-images that show fewer artifacts and yield image noise levels comparable to the noise of the standard scan. The authors compared the standard scan to μ-images at 70 keV, which is the effective energy used in clinical CT, and found optimal results with μ-images at 25 keV for micro-CT. Nonoptimal choice of the decomposition function will, however, significantly increase image noise. In particular μ-images at 511 keV, as needed for PET/CT attenuation correction, exhibit more than twice as much image noise as the standard scan. With DEEC, which guarantees best dose usage possible, monochromatic images are generated with only slightly increased noise levels at the

  5. Dual energy exposure control (DEEC) for computed tomography: algorithm and simulation study.

    Science.gov (United States)

    Stenner, Philip; Kachelriess, Marc

    2008-11-01

    DECT means acquiring the same object at two different energies, respectively two different tube voltages U1 and U2. The raw data q1 and q2 undergo a decomposition process of type p = p(q1,q2). The raw data p are reconstructed to obtain monochromatic images of the attenuation mu, of the object density rho, or of a specific material distribution. Recent advances in DECT focus on noise reduction techniques [S. Richard and J. H. Siewerdsen, Med. Phys. 35(2), 586-600 (2008)] and enable high performance DECT such as lung nodule detection [Shkumat et al., Med. Phys. 35(2), 629-632 (2008)]. Given p and a raw data-based projection-wise patient dose estimation D(alpha) the authors determine the optimal tube current curves I1(alpha) and I2(alpha), with alpha being the view angle, which minimizes image noise for a given patient dose level. DEEC can perform online; I1(alpha) and I2(alpha) can be determined during the scan. Simulation studies using semianthropomorphic phantom data were carried out. In particular, functions p that generate mu-images and density images were evaluated. Image quality was compared to standard scans at U0=120 kV (clinical CT) and U0=45 kV (micro-CT) that were taken at the same dose level (D0=D1 + D2) and identical spatial resolution. Appropriate choice of p(q1, q2) allows to obtain mu-images that show fewer artifacts and yield image noise levels comparable to the noise of the standard scan. The authors compared the standard scan to mu-images at 70 keV, which is the effective energy used in clinical CT, and found optimal results with mu-images at 25 keV for micro-CT. Nonoptimal choice of the decomposition function will, however, significantly increase image noise. In particular mu-images at 511 keV, as needed for PET/CT attenuation correction, exhibit more than twice as much image noise as the standard scan. With DEEC, which guarantees best dose usage possible, monochromatic images are generated with only slightly increased noise levels at the same

  6. Manned systems utilization analysis (study 2.1). Volume 3: LOVES computer simulations, results, and analyses

    Science.gov (United States)

    Stricker, L. T.

    1975-01-01

    The LOVES computer program was employed to analyze the geosynchronous portion of the NASA's 1973 automated satellite mission model from 1980 to 1990. The objectives of the analyses were: (1) to demonstrate the capability of the LOVES code to provide the depth and accuracy of data required to support the analyses; and (2) to tradeoff the concept of space servicing automated satellites composed of replaceable modules against the concept of replacing expendable satellites upon failure. The computer code proved to be an invaluable tool in analyzing the logistic requirements of the various test cases required in the tradeoff. It is indicated that the concept of space servicing offers the potential for substantial savings in the cost of operating automated satellite systems.

  7. Computer simulations of anomalous transport

    International Nuclear Information System (INIS)

    Lee, W.W.; Okuda, H.

    1980-07-01

    Numerical plasma simulations have been carried out to study: (1) the turbulent spectrum and anomalous plasma transport associated with a steady state electrostatic drift turbulence; and (2) the anomalous energy transport of electrons due to shear-Alfven waves in a finite-β plasma. For the simulation of the steady state drift turbulence, it is observed that, in the absence of magnetic shear, the turbulence is quenched to a low level when the rotational transform is a rational number, while the turbulent level remains high for an irrational rotational transform

  8. Topics in computer simulations of statistical systems

    International Nuclear Information System (INIS)

    Salvador, R.S.

    1987-01-01

    Several computer simulations studying a variety of topics in statistical mechanics and lattice gauge theories are performed. The first study describes a Monte Carlo simulation performed on Ising systems defined on Sierpinsky carpets of dimensions between one and four. The critical coupling and the exponent γ are measured as a function of dimension. The Ising gauge theory in d = 4 - epsilon, for epsilon → 0 + , is then studied by performing a Monte Carlo simulation for the theory defined on fractals. A high statistics Monte Carlo simulation for the three-dimensional Ising model is presented for lattices of sizes 8 3 to 44 3 . All the data obtained agrees completely, within statistical errors, with the forms predicted by finite-sizing scaling. Finally, a method to estimate numerically the partition function of statistical systems is developed

  9. Dual energy exposure control (DEEC) for computed tomography: Algorithm and simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Stenner, Philip; Kachelriess, Marc [Institute of Medical Physics, University of Erlangen-Nuernberg, Henkestr. 91, Erlangen 91052 (Germany)

    2008-11-15

    DECT means acquiring the same object at two different energies, respectively two different tube voltages U{sub 1} and U{sub 2}. The raw data q{sub 1} and q{sub 2} undergo a decomposition process of type p=p(q{sub 1},q{sub 2}). The raw data p are reconstructed to obtain monochromatic images of the attenuation {mu}, of the object density {rho}, or of a specific material distribution. Recent advances in DECT focus on noise reduction techniques [S. Richard and J. H. Siewerdsen, Med. Phys. 35(2), 586-600 (2008)] and enable high performance DECT such as lung nodule detection [Shkumat et al., Med. Phys. 35(2), 629-632 (2008)]. Given p and a raw data-based projection-wise patient dose estimation D({alpha}) the authors determine the optimal tube current curves I{sub 1}({alpha}) and I{sub 2}({alpha}), with {alpha} being the view angle, which minimizes image noise for a given patient dose level. DEEC can perform online; I{sub 1}({alpha}) and I{sub 2}({alpha}) can be determined during the scan. Simulation studies using semianthropomorphic phantom data were carried out. In particular, functions p that generate {mu}-images and density images were evaluated. Image quality was compared to standard scans at U{sub 0}=120 kV (clinical CT) and U{sub 0}=45 kV (micro-CT) that were taken at the same dose level (D{sub 0}=D{sub 1}+D{sub 2}) and identical spatial resolution. Appropriate choice of p(q{sub 1},q{sub 2}) allows to obtain {mu}-images that show fewer artifacts and yield image noise levels comparable to the noise of the standard scan. The authors compared the standard scan to {mu}-images at 70 keV, which is the effective energy used in clinical CT, and found optimal results with {mu}-images at 25 keV for micro-CT. Nonoptimal choice of the decomposition function will, however, significantly increase image noise. In particular {mu}-images at 511 keV, as needed for PET/CT attenuation correction, exhibit more than twice as much image noise as the standard scan. With DEEC, which

  10. Interoceanic canal excavation scheduling via computer simulation

    Energy Technology Data Exchange (ETDEWEB)

    Baldonado, Orlino C [Holmes and Narver, Inc., Los Angeles, CA (United States)

    1970-05-15

    The computer simulation language GPSS/360 was used to simulate the schedule of several nuclear detonation programs for the interoceanic canal project. The effects of using different weather restriction categories due to air blast and fallout were investigated. The effect of increasing the number of emplacement and stemming crews and the effect of varying the reentry period after detonating a row charge or salvo were also studied. Detonation programs were simulated for the proposed Routes 17A and 25E. The study demonstrates the method of using computer simulation so that a schedule and its associated constraints can be assessed for feasibility. Since many simulation runs can be made for a given set of detonation program constraints, one readily obtains an average schedule for a range of conditions. This provides a method for analyzing time-sensitive operations so that time and cost-effective operational schedules can be established. A comparison of the simulated schedules with those that were published shows them to be similar. (author)

  11. Interoceanic canal excavation scheduling via computer simulation

    International Nuclear Information System (INIS)

    Baldonado, Orlino C.

    1970-01-01

    The computer simulation language GPSS/360 was used to simulate the schedule of several nuclear detonation programs for the interoceanic canal project. The effects of using different weather restriction categories due to air blast and fallout were investigated. The effect of increasing the number of emplacement and stemming crews and the effect of varying the reentry period after detonating a row charge or salvo were also studied. Detonation programs were simulated for the proposed Routes 17A and 25E. The study demonstrates the method of using computer simulation so that a schedule and its associated constraints can be assessed for feasibility. Since many simulation runs can be made for a given set of detonation program constraints, one readily obtains an average schedule for a range of conditions. This provides a method for analyzing time-sensitive operations so that time and cost-effective operational schedules can be established. A comparison of the simulated schedules with those that were published shows them to be similar. (author)

  12. Computational simulation studies of the reduction process of UF4 to metallic uranium

    International Nuclear Information System (INIS)

    Borges, Wesden de Almeida

    2011-01-01

    The production of metallic uranium is essential for production of fuel elements for using in nuclear reactors manufacturing of radioisotopes and radiopharmaceuticals. In IPEN, metallic uranium is produced by magnesiothermical reduction of UF 4 . This reaction is performed in a closed graphite crucible inserted in a sealed metal reactor and no contact with the outside environment. The set is gradually heated in an oven pit, until it reaches the ignition temperature of the reaction (between 600-650 degree C). The modeling of the heating profile of the system can be made using simulation programs by finite element method. Through the thermal profiles in the load, we can have a notion of heating period required for the reaction to occur, allowing the identification of the same group in a greater or smaller yield in metallic uranium production. Thermal properties of UF 4 are estimated, obtaining thermal conductivity and heat capacity using the Flash Laser Method, and for the load UF 4 + Mg, either. The results are compared to laboratory tests to simulate the primary production process. (author)

  13. Computer simulation of driven Alfven waves

    International Nuclear Information System (INIS)

    Geary, J.L. Jr.

    1986-01-01

    The first particle simulation study of shear Alfven wave resonance heating is presented. Particle simulation codes self-consistently follow the time evolution of the individual and collective aspects of particle dynamics as well as wave dynamics in a fully nonlinear fashion. Alfven wave heating is a possible means of increasing the temperature of magnetized plasmas. A new particle simulation model was developed for this application that incorporates Darwin's formulation of the electromagnetic fields with a guiding center approximation for electron motion perpendicular to the ambient magnetic field. The implementation of this model and the examination of its theoretical and computational properties are presented. With this model, several cases of Alfven wave heating is examined in both uniform and nonuniform simulation systems in a two dimensional slab. For the inhomogeneous case studies, the kinetic Alfven wave develops in the vicinity of the shear Alfven resonance region

  14. Molecular dynamics computer simulation study of Pd{sub n} (n=13, 19, 38 and 55) clusters

    Energy Technology Data Exchange (ETDEWEB)

    Karabacak, M [Afyon Kocatepe University, Department of Physics, Afyon (Turkey); Oezcelik, S [Gazi University, Department of Physics, Ankara (Turkey); Guevenc, Z B [Cankaya University, Department of Electronics and Communication Engineering, Ankara (Turkey)

    2002-07-01

    Using constant-energy molecular dynamics and thermal quenching simulations, we have studied minimum-energy structures and energetics, Pd{sub n} (n=13, 19, 38, and 55) clusters employing the Voter and Chen's version of parameterisation of the embedded-atom potential surface. Isomer statistics for Pdn ( n = 13 and 19 ) is obtained from 10000 initial independent configurations, which have been generated along high-energy trajectories (chosen energy values are high enough to melt the clusters). The thermal quenching technique is employed to remove the internal kinetic energy of the clusters. The locally stable isomers are separated from metastable ones. Probabilities belonging to sampling the basins of attractions of each isomers are computed, and then, isomers' energy spectra are analyzed.

  15. Study of a loss of coolant accident of a PWR reactor through a Full Scope Simulator and computational code RELAP

    International Nuclear Information System (INIS)

    Soares, Alexandre de Souza

    2014-01-01

    The present paper proposes a study of a loss of coolant accident of a PWR reactor through a Full Scope Simulator and computational code RELAP. To this end, it considered a loss of coolant accident with 160 cm 2 breaking area in cold leg of 20 circuit of the reactor cooling system of nuclear power plant Angra 2, with the reactor operating in stationary condition, to 100% power. It considered that occurred at the same time the loss of External Power Supply and the availability of emergency cooling system was not full. The results obtained are quite relevant and with the possibility of being used in the planning of future activities, given that the construction of Angra 3 is underway and resembles the Angra 2. (author)

  16. Computer simulations applied in materials

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-07-01

    This workshop takes stock of the simulation methods applied to nuclear materials and discusses the conditions in which these methods can predict physical results when no experimental data are available. The main topic concerns the radiation effects in oxides and includes also the behaviour of fission products in ceramics, the diffusion and segregation phenomena and the thermodynamical properties under irradiation. This document brings together a report of the previous 2002 workshop and the transparencies of 12 presentations among the 15 given at the workshop: accommodation of uranium and plutonium in pyrochlores; radiation effects in La{sub 2}Zr{sub 2}O{sub 7} pyrochlores; first principle calculations of defects formation energies in the Y{sub 2}(Ti,Sn,Zr){sub 2}O{sub 7} pyrochlore system; an approximate approach to predicting radiation tolerant materials; molecular dynamics study of the structural effects of displacement cascades in UO{sub 2}; composition defect maps for A{sup 3+}B{sup 3+}O{sub 3} perovskites; NMR characterization of radiation damaged materials: using simulation to interpret the data; local structure in damaged zircon: a first principle study; simulation studies on SiC; insertion and diffusion of He in 3C-SiC; a review of helium in silica; self-trapped holes in amorphous silicon dioxide: their short-range structure revealed from electron spin resonance and optical measurements and opportunities for inferring intermediate range structure by theoretical modelling. (J.S.)

  17. Computer simulations applied in materials

    International Nuclear Information System (INIS)

    2003-01-01

    This workshop takes stock of the simulation methods applied to nuclear materials and discusses the conditions in which these methods can predict physical results when no experimental data are available. The main topic concerns the radiation effects in oxides and includes also the behaviour of fission products in ceramics, the diffusion and segregation phenomena and the thermodynamical properties under irradiation. This document brings together a report of the previous 2002 workshop and the transparencies of 12 presentations among the 15 given at the workshop: accommodation of uranium and plutonium in pyrochlores; radiation effects in La 2 Zr 2 O 7 pyrochlores; first principle calculations of defects formation energies in the Y 2 (Ti,Sn,Zr) 2 O 7 pyrochlore system; an approximate approach to predicting radiation tolerant materials; molecular dynamics study of the structural effects of displacement cascades in UO 2 ; composition defect maps for A 3+ B 3+ O 3 perovskites; NMR characterization of radiation damaged materials: using simulation to interpret the data; local structure in damaged zircon: a first principle study; simulation studies on SiC; insertion and diffusion of He in 3C-SiC; a review of helium in silica; self-trapped holes in amorphous silicon dioxide: their short-range structure revealed from electron spin resonance and optical measurements and opportunities for inferring intermediate range structure by theoretical modelling. (J.S.)

  18. Discrete Event Simulation Computers can be used to simulate the ...

    Indian Academy of Sciences (India)

    IAS Admin

    people who use computers every moment of their waking lives, others even ... How is discrete event simulation different from other kinds of simulation? ... time, energy consumption .... Schedule the CustomerDeparture event for this customer.

  19. Ferroelastic Phase Transition in Pb_3(PO_4)_2 Studied by Computer Simulation

    Science.gov (United States)

    Parlinski, K.; Kawazoe, Y.

    1997-01-01

    A model of lead phosphate which describes its rhombohedral-monoclinic improper ferroelastic phase transition is proposed. It contains a reduced number of degrees of freedom but it is constructed consistently with symmetry changes at the phase transition. Potential parameters of the model are derived from available experimental data. The crystallites of 25× 25× 25 and 121× 121 × 25 unit cells have been simulated by the molecular-dynamics technique. The results determine the phase transition at the L point of reciprocal space, the order parameter, and the temperature behavior of monoclinic lattice parameters. In the rhombohedral phase the calculated dynamical structure factor shows inelastic peaks from which a soft branch of underdamped phonons has been established. The model has been used to calculate a diffuse scattering function which shows above T_c a maximum at an incommensurate wave vector located along the L F line of the Brillouin zone. The mentioned line is parallel to the ternary symmetry axis. On the basis of the above results we were able to vizualize the nature of the dynamical monoclinic microdomains persisting in the high-temperature rhombohedral phase. It has been shown that above T_c the fluctuations can be treated as temporary orientational monoclinic microdomains. Each type of microdomains always contains an irregular sequence of antiphase domains. Un modèle permettant de décrire la transition de phase ferroélastique impropre, rhomboédrique-monoclinique, du phosphate de plomb est proposé ci-dessous. Il est construit à partir d'un nombre réduit de degrés de liberté, tout en tenant compte des changements de symétrie caractéristique de la transition de phase. Les paramètres du modèle sont déduits quantitativement des résultats expérimentaux disponibles. La technique de dynamique moléculaire a permis de simuler le comportement des cristallites comportant 25× 25× 25 et 121× 121 × 25 mailles. Les résultats permettent de d

  20. Computer simulation of molecular sorption in zeolites

    International Nuclear Information System (INIS)

    Calmiano, Mark Daniel

    2001-01-01

    The work presented in this thesis encompasses the computer simulation of molecular sorption. In Chapter 1 we outline the aims and objectives of this work. Chapter 2 follows in which an introduction to sorption in zeolites is presented, with discussion of structure and properties of the main zeolites studied. Chapter 2 concludes with a description of the principles and theories of adsorption. In Chapter 3 we describe the methodology behind the work carried out in this thesis. In Chapter 4 we present our first computational study, that of the sorption of krypton in silicalite. We describe work carried out to investigate low energy sorption sites of krypton in silicalite where we observe krypton to preferentially sorb into straight and sinusoidal channels over channel intersections. We simulate single step type I adsorption isotherms and use molecular dynamics to study the diffusion of krypton and obtain division coefficients and the activation energy. We compare our results to previous experimental and computational studies where we show our work to be in good agreement. In Chapter 5 we present a systematic study of the sorption of oxygen and nitrogen in five lithium substituted zeolites using a transferable interatomic potential that we have developed from ab initio calculations. We show increased loading of nitrogen compared to oxygen in all five zeolites studied as expected and simulate adsorption isotherms, which we compare to experimental and simulated data in the literature. In Chapter 6 we present work on the sorption of ferrocene in the zeolite NaY. We show that a simulated, low energy sorption site for ferrocene is correctly located by comparing to X-ray powder diffraction results for this same system. The thesis concludes with some overall conclusions and discussion of opportunities for future work. (author)

  1. Computational simulation of radiographic film

    International Nuclear Information System (INIS)

    Goncalves, Elicardo A. de S.; Santos, Marcio H. dos; Anjos, Marcelino J.; Oliveira, Luis F. de

    2013-01-01

    The composition of a radiographic film gives its values of speed, spatial resolution and base density. The technical knowledge allows to predict how a film with a known composition works, and simulate how this film will work with changes in composition and exposure. In this paper, characterization of films composed by different emulsions was realized, in a way to know the characteristic curve, and to study how the format, organization and concentration of silver salt crystals set the radiographic film images.This work aims to increase an existing simulator, where parallel programming was used to simulate X-ray fluorescence processes. The setup of source and X-ray interactions with objects stills the same, and the detector constructed in this work was placed to form images. At first, considering the approach that the film is a square matrix where each element has a specific quantity of silver grains, that each grain fills a specific area, and that each interaction to radiation transforms a salt silver grain in to metallic silver grain (black grain), we have a blackening standard, and it should show how is the behavior of a optic density in a specific area of the film. Each matrix element has a degree of blackening, and it is proportional to the black grains area. (author)

  2. Phase transitions in diglyceride monolayers studied by computer simulations, pressure-area isotherms and x-ray diffraction

    DEFF Research Database (Denmark)

    Peters, Günther H.J.; Toxværd, S.; Larsen, N.B.

    1994-01-01

    1,2-sn-diglyceride monolayers exhibit unique and complex phase transitions as a function of surface pressure. The dynamical response of the layer on expanding the film has been investigated by computer simulations, (π-A) isotherms and grazing-incidence X-ray diffraction. Good agreement is found b...

  3. Computer simulation of complexity in plasmas

    International Nuclear Information System (INIS)

    Hayashi, Takaya; Sato, Tetsuya

    1998-01-01

    By making a comprehensive comparative study of many self-organizing phenomena occurring in magnetohydrodynamics and kinetic plasmas, we came up with a hypothetical grand view of self-organization. This assertion is confirmed by a recent computer simulation for a broader science field, specifically, the structure formation of short polymer chains, where the nature of the interaction is completely different from that of plasmas. It is found that the formation of the global orientation order proceeds stepwise. (author)

  4. Acquiring skills in malignant hyperthermia crisis management: comparison of high-fidelity simulation versus computer-based case study

    Directory of Open Access Journals (Sweden)

    Vilma Mejía

    2018-05-01

    Full Text Available Introduction: The primary purpose of this study was to compare the effect of high fidelity simulation versus a computer-based case solving self-study, in skills acquisition about malignant hyperthermia on first year anesthesiology residents. Methods: After institutional ethical committee approval, 31 first year anesthesiology residents were enrolled in this prospective randomized single-blinded study. Participants were randomized to either a High Fidelity Simulation Scenario or a computer-based Case Study about malignant hyperthermia. After the intervention, all subjects’ performance in was assessed through a high fidelity simulation scenario using a previously validated assessment rubric. Additionally, knowledge tests and a satisfaction survey were applied. Finally, a semi-structured interview was done to assess self-perception of reasoning process and decision-making. Results: 28 first year residents finished successfully the study. Resident's management skill scores were globally higher in High Fidelity Simulation versus Case Study, however they were significant in 4 of the 8 performance rubric elements: recognize signs and symptoms (p = 0.025, prioritization of initial actions of management (p = 0.003, recognize complications (p = 0.025 and communication (p = 0.025. Average scores from pre- and post-test knowledge questionnaires improved from 74% to 85% in the High Fidelity Simulation group, and decreased from 78% to 75% in the Case Study group (p = 0.032. Regarding the qualitative analysis, there was no difference in factors influencing the student's process of reasoning and decision-making with both teaching strategies. Conclusion: Simulation-based training with a malignant hyperthermia high-fidelity scenario was superior to computer-based case study, improving knowledge and skills in malignant hyperthermia crisis management, with a very good satisfaction level in anesthesia residents. Resumo: Introdução: O objetivo prim

  5. The structure of particle gels as studied with confocal microscopy and computer simulations

    NARCIS (Netherlands)

    Bos, M.T.A.

    1997-01-01

    This thesis contains the results of a PhD-study on the structure of particle gels. Part of it is directed at a quantification of this structure from measured data, part of it at modelling the aggregation processes that lead to particle gels. Chapter 1 of this thesis is a general

  6. Virtual Colonoscopy Screening With Ultra Low-Dose CT and Less-Stressful Bowel Preparation: A Computer Simulation Study

    Science.gov (United States)

    Wang, Jing; Wang, Su; Li, Lihong; Fan, Yi; Lu, Hongbing; Liang, Zhengrong

    2008-10-01

    Computed tomography colonography (CTC) or CT-based virtual colonoscopy (VC) is an emerging tool for detection of colonic polyps. Compared to the conventional fiber-optic colonoscopy, VC has demonstrated the potential to become a mass screening modality in terms of safety, cost, and patient compliance. However, current CTC delivers excessive X-ray radiation to the patient during data acquisition. The radiation is a major concern for screening application of CTC. In this work, we performed a simulation study to demonstrate a possible ultra low-dose CT technique for VC. The ultra low-dose abdominal CT images were simulated by adding noise to the sinograms of the patient CTC images acquired with normal dose scans at 100 mA s levels. The simulated noisy sinogram or projection data were first processed by a Karhunen-Loeve domain penalized weighted least-squares (KL-PWLS) restoration method and then reconstructed by a filtered backprojection algorithm for the ultra low-dose CT images. The patient-specific virtual colon lumen was constructed and navigated by a VC system after electronic colon cleansing of the orally-tagged residue stool and fluid. By the KL-PWLS noise reduction, the colon lumen can successfully be constructed and the colonic polyp can be detected in an ultra low-dose level below 50 mA s. Polyp detection can be found more easily by the KL-PWLS noise reduction compared to the results using the conventional noise filters, such as Hanning filter. These promising results indicate the feasibility of an ultra low-dose CTC pipeline for colon screening with less-stressful bowel preparation by fecal tagging with oral contrast.

  7. Experimental Study and Computational Simulations of Key Pebble Bed Thermo-mechanics Issues for Design and Safety

    Energy Technology Data Exchange (ETDEWEB)

    Tokuhiro, Akira; Potirniche, Gabriel; Cogliati, Joshua; Ougouag, Abderrafi

    2014-07-08

    An experimental and computational study, consisting of modeling and simulation (M&S), of key thermal-mechanical issues affecting the design and safety of pebble-bed (PB) reactors was conducted. The objective was to broaden understanding and experimentally validate thermal-mechanic phenomena of nuclear grade graphite, specifically, spheres in frictional contact as anticipated in the bed under reactor relevant pressures and temperatures. The contact generates graphite dust particulates that can subsequently be transported into the flowing gaseous coolent. Under postulated depressurization transients and with the potential for leaked fission products to be adsorbed onto graphite 'dust', there is the potential for fission products to escape from the primary volume. This is a design safety concern. Furthermore, earlier safety assessment identified the distinct possibility for the dispersed dust to combust in contact with air if sufficient conditions are met. Both of these phenomena were noted as important to design review and containing uncertainty to warrant study. The team designed and conducted two separate effects tests to study and benchmark the potential dust-generation rate, as well as study the conditions under which a dust explosion may occure in a standardized, instrumented explosion chamber.

  8. Computer Code for Nanostructure Simulation

    Science.gov (United States)

    Filikhin, Igor; Vlahovic, Branislav

    2009-01-01

    Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

  9. The Use of Computer Simulation Gaming in Teaching Broadcast Economics.

    Science.gov (United States)

    Mancuso, Louis C.

    The purpose of this study was to develop a broadcast economic computer simulation and to ascertain how a lecture-computer simulation game compared as a teaching method with a more traditional lecture and case study instructional methods. In each of three sections of a broadcast economics course, a different teaching methodology was employed: (1)…

  10. Evaluation of Computer Simulations for Teaching Apparel Merchandising Concepts.

    Science.gov (United States)

    Jolly, Laura D.; Sisler, Grovalynn

    1988-01-01

    The study developed and evaluated computer simulations for teaching apparel merchandising concepts. Evaluation results indicated that teaching method (computer simulation versus case study) does not significantly affect cognitive learning. Student attitudes varied, however, according to topic (profitable merchandising analysis versus retailing…

  11. Framework for utilizing computational devices within simulation

    Directory of Open Access Journals (Sweden)

    Miroslav Mintál

    2013-12-01

    Full Text Available Nowadays there exist several frameworks to utilize a computation power of graphics cards and other computational devices such as FPGA, ARM and multi-core processors. The best known are either low-level and need a lot of controlling code or are bounded only to special graphic cards. Furthermore there exist more specialized frameworks, mainly aimed to the mathematic field. Described framework is adjusted to use in a multi-agent simulations. Here it provides an option to accelerate computations when preparing simulation and mainly to accelerate a computation of simulation itself.

  12. Accuracy of a Computer-Aided Surgical Simulation (CASS) Protocol for Orthognathic Surgery: A Prospective Multicenter Study

    Science.gov (United States)

    Hsu, Sam Sheng-Pin; Gateno, Jaime; Bell, R. Bryan; Hirsch, David L.; Markiewicz, Michael R.; Teichgraeber, John F.; Zhou, Xiaobo; Xia, James J.

    2012-01-01

    Purpose The purpose of this prospective multicenter study was to assess the accuracy of a computer-aided surgical simulation (CASS) protocol for orthognathic surgery. Materials and Methods The accuracy of the CASS protocol was assessed by comparing planned and postoperative outcomes of 65 consecutive patients enrolled from 3 centers. Computer-generated surgical splints were used for all patients. For the genioplasty, one center utilized computer-generated chin templates to reposition the chin segment only for patients with asymmetry. Standard intraoperative measurements were utilized without the chin templates for the remaining patients. The primary outcome measurements were linear and angular differences for the maxilla, mandible and chin when the planned and postoperative models were registered at the cranium. The secondary outcome measurements were: maxillary dental midline difference between the planned and postoperative positions; and linear and angular differences of the chin segment between the groups with and without the use of the template. The latter was measured when the planned and postoperative models were registered at mandibular body. Statistical analyses were performed, and the accuracy was reported using root mean square deviation (RMSD) and Bland and Altman's method for assessing measurement agreement. Results In the primary outcome measurements, there was no statistically significant difference among the 3 centers for the maxilla and mandible. The largest RMSD was 1.0mm and 1.5° for the maxilla, and 1.1mm and 1.8° for the mandible. For the chin, there was a statistically significant difference between the groups with and without the use of the chin template. The chin template group showed excellent accuracy with largest positional RMSD of 1.0mm and the largest orientational RSMD of 2.2°. However, larger variances were observed in the group not using the chin template. This was significant in anteroposterior and superoinferior directions, as in

  13. Distributed simulation of large computer systems

    International Nuclear Information System (INIS)

    Marzolla, M.

    2001-01-01

    Sequential simulation of large complex physical systems is often regarded as a computationally expensive task. In order to speed-up complex discrete-event simulations, the paradigm of Parallel and Distributed Discrete Event Simulation (PDES) has been introduced since the late 70s. The authors analyze the applicability of PDES to the modeling and analysis of large computer system; such systems are increasingly common in the area of High Energy and Nuclear Physics, because many modern experiments make use of large 'compute farms'. Some feasibility tests have been performed on a prototype distributed simulator

  14. Analyzing Robotic Kinematics Via Computed Simulations

    Science.gov (United States)

    Carnahan, Timothy M.

    1992-01-01

    Computing system assists in evaluation of kinematics of conceptual robot. Displays positions and motions of robotic manipulator within work cell. Also displays interactions between robotic manipulator and other objects. Results of simulation displayed on graphical computer workstation. System includes both off-the-shelf software originally developed for automotive industry and specially developed software. Simulation system also used to design human-equivalent hand, to model optical train in infrared system, and to develop graphical interface for teleoperator simulation system.

  15. Computer simulation in nuclear science and engineering

    International Nuclear Information System (INIS)

    Akiyama, Mamoru; Miya, Kenzo; Iwata, Shuichi; Yagawa, Genki; Kondo, Shusuke; Hoshino, Tsutomu; Shimizu, Akinao; Takahashi, Hiroshi; Nakagawa, Masatoshi.

    1992-01-01

    The numerical simulation technology used for the design of nuclear reactors includes the scientific fields of wide range, and is the cultivated technology which grew in the steady efforts to high calculation accuracy through safety examination, reliability verification test, the assessment of operation results and so on. Taking the opportunity of putting numerical simulation to practical use in wide fields, the numerical simulation of five basic equations which describe the natural world and the progress of its related technologies are reviewed. It is expected that numerical simulation technology contributes to not only the means of design study but also the progress of science and technology such as the construction of new innovative concept, the exploration of new mechanisms and substances, of which the models do not exist in the natural world. The development of atomic energy and the progress of computers, Boltzmann's transport equation and its periphery, Navier-Stokes' equation and its periphery, Maxwell's electromagnetic field equation and its periphery, Schroedinger wave equation and its periphery, computational solid mechanics and its periphery, and probabilistic risk assessment and its periphery are described. (K.I.)

  16. The structure and dynamics of energetic displacement cascades in Cu and Ni. A molecular dynamics computer simulation study

    International Nuclear Information System (INIS)

    Diaz de la Rubia, T.

    1989-01-01

    The primary state of damage present in a solid as a result of particle irradiation has been a topic of interest to the physics and materials research community over the last forty years. Energetic displacement cascades resulting from the heavy ion irradiation of a solid play a prominent role in radiation damage and non-equilibrium processing of materials; however, their study has been hampered by the small size (∼10 -20 cm 3 ) and short lifetime (∼10 -11 s) as well as by their highly non-homogeneous nature. In this work, the molecular dynamics computer simulation technique is employed to study the structure and dynamics of energetic displacement cascades in Cu and Ni. The atomic interactions in Cu were described with the use of the Gibson II form of the Born-Mayer pair potential while for Ni the Johnson-Erginsoy pair potential was employed. Calculations were also carried out with the use of the embedded atom method many-body potentials. The results provide the first detailed microscopic description of the evolution of the cascade. The author shows for the first time, that a process akin to melting takes place in the core of the cascade. Atomic mixing, point defect production and point defect agglomeration, all processes directly related to the evolution of the cascade, are then explained in terms of a simple model in which the liquid-like nature of the cascade plays a dominant role in determining the primary state of damage

  17. Feasibility Study of Cryogenic Cutting Technology by Using a Computer Simulation and Manufacture of Main Components for Cryogenic Cutting System

    International Nuclear Information System (INIS)

    Kim, Sung Kyun; Lee, Dong Gyu; Lee, Kune Woo; Song, Oh Seop

    2009-01-01

    Cryogenic cutting technology is one of the most suitable technologies for dismantling nuclear facilities due to the fact that a secondary waste is not generated during the cutting process. In this paper, the feasibility of cryogenic cutting technology was investigated by using a computer simulation. In the computer simulation, a hybrid method combined with the SPH (smoothed particle hydrodynamics) method and the FE (finite element) method was used. And also, a penetration depth equation, for the design of the cryogenic cutting system, was used and the design variables and operation conditions to cut a 10 mm thickness for steel were determined. Finally, the main components of the cryogenic cutting system were manufactures on the basis of the obtained design variables and operation conditions.

  18. Computer Simulation of a Hardwood Processing Plant

    Science.gov (United States)

    D. Earl Kline; Philip A. Araman

    1990-01-01

    The overall purpose of this paper is to introduce computer simulation as a decision support tool that can be used to provide managers with timely information. A simulation/animation modeling procedure is demonstrated for wood products manufacuring systems. Simulation modeling techniques are used to assist in identifying and solving problems. Animation is used for...

  19. New Computer Simulations of Macular Neural Functioning

    Science.gov (United States)

    Ross, Muriel D.; Doshay, D.; Linton, S.; Parnas, B.; Montgomery, K.; Chimento, T.

    1994-01-01

    We use high performance graphics workstations and supercomputers to study the functional significance of the three-dimensional (3-D) organization of gravity sensors. These sensors have a prototypic architecture foreshadowing more complex systems. Scaled-down simulations run on a Silicon Graphics workstation and scaled-up, 3-D versions run on a Cray Y-MP supercomputer. A semi-automated method of reconstruction of neural tissue from serial sections studied in a transmission electron microscope has been developed to eliminate tedious conventional photography. The reconstructions use a mesh as a step in generating a neural surface for visualization. Two meshes are required to model calyx surfaces. The meshes are connected and the resulting prisms represent the cytoplasm and the bounding membranes. A finite volume analysis method is employed to simulate voltage changes along the calyx in response to synapse activation on the calyx or on calyceal processes. The finite volume method insures that charge is conserved at the calyx-process junction. These and other models indicate that efferent processes act as voltage followers, and that the morphology of some afferent processes affects their functioning. In a final application, morphological information is symbolically represented in three dimensions in a computer. The possible functioning of the connectivities is tested using mathematical interpretations of physiological parameters taken from the literature. Symbolic, 3-D simulations are in progress to probe the functional significance of the connectivities. This research is expected to advance computer-based studies of macular functioning and of synaptic plasticity.

  20. Computer Based Modelling and Simulation

    Indian Academy of Sciences (India)

    GENERAL I ARTICLE. Computer Based ... universities, and later did system analysis, ... sonal computers (PC) and low cost software packages and tools. They can serve as useful learning experience through student projects. Models are .... Let us consider a numerical example: to calculate the velocity of a trainer aircraft ...

  1. The Effects of Computer Simulation and Animation (CSA) on Students' Cognitive Processes: A Comparative Case Study in an Undergraduate Engineering Course

    Science.gov (United States)

    Fang, N.; Tajvidi, M.

    2018-01-01

    This study focuses on the investigation of the effects of computer simulation and animation (CSA) on students' cognitive processes in an undergraduate engineering course. The revised Bloom's taxonomy, which consists of six categories in the cognitive process domain, was employed in this study. Five of the six categories were investigated,…

  2. A computer simulation study of optimal thyroid radiation protection during investigations involving the administration of radioiodine-labelled pharmaceuticals

    International Nuclear Information System (INIS)

    Wootton, R.; Hammond, B.J.

    1978-01-01

    The administration of iodide for thyroid blocking is now known to carry its own risks, at least in certain categories of patients. A theoretical study has been made by computer simulation of the efficacy of various thyroid blocking regimes. In the case of injected 125 I- or 131 I-iodide, substantial thyroid protection may theoretically be achieved by a single oral dose of inorganic iodide, for example a 90% reduction in radiation dose is produced by only 20 mg iodide. Repeating the initial blocking dose is of little value. A single blocking dose, however, affords poor protection against radioiodine released from labelled plasma proteins. Both for short-lived proteins such as fibrinogen, and for the longer-lived proteins such as albumin, the optimum dosage schedule appears to be stable iodide given daily for two to three weeks. For instance, 10 mg daily for a fortnight will reduce thyroid irradiation by a factor of ten following injections of 125 I-fibrinogen. (author)

  3. Computer Simulations of Lipid Nanoparticles

    Directory of Open Access Journals (Sweden)

    Xavier F. Fernandez-Luengo

    2017-12-01

    Full Text Available Lipid nanoparticles (LNP are promising soft matter nanomaterials for drug delivery applications. In spite of their interest, little is known about the supramolecular organization of the components of these self-assembled nanoparticles. Here, we present a molecular dynamics simulation study, employing the Martini coarse-grain forcefield, of self-assembled LNPs made by tripalmitin lipid in water. We also study the adsorption of Tween 20 surfactant as a protective layer on top of the LNP. We show that, at 310 K (the temperature of interest in biological applications, the structure of the lipid nanoparticles is similar to that of a liquid droplet, in which the lipids show no nanostructuration and have high mobility. We show that, for large enough nanoparticles, the hydrophilic headgroups develop an interior surface in the NP core that stores liquid water. The surfactant is shown to organize in an inhomogeneous way at the LNP surface, with patches with high surfactant concentrations and surface patches not covered by surfactant.

  4. New Pedagogies on Teaching Science with Computer Simulations

    Science.gov (United States)

    Khan, Samia

    2011-01-01

    Teaching science with computer simulations is a complex undertaking. This case study examines how an experienced science teacher taught chemistry using computer simulations and the impact of his teaching on his students. Classroom observations over 3 semesters, teacher interviews, and student surveys were collected. The data was analyzed for (1)…

  5. Filtration theory using computer simulations

    Energy Technology Data Exchange (ETDEWEB)

    Bergman, W.; Corey, I. [Lawrence Livermore National Lab., CA (United States)

    1997-08-01

    We have used commercially available fluid dynamics codes based on Navier-Stokes theory and the Langevin particle equation of motion to compute the particle capture efficiency and pressure drop through selected two- and three-dimensional fiber arrays. The approach we used was to first compute the air velocity vector field throughout a defined region containing the fiber matrix. The particle capture in the fiber matrix is then computed by superimposing the Langevin particle equation of motion over the flow velocity field. Using the Langevin equation combines the particle Brownian motion, inertia and interception mechanisms in a single equation. In contrast, most previous investigations treat the different capture mechanisms separately. We have computed the particle capture efficiency and the pressure drop through one, 2-D and two, 3-D fiber matrix elements. 5 refs., 11 figs.

  6. Computer simulation of bounded plasmas

    International Nuclear Information System (INIS)

    Lawson, W.S.

    1987-01-01

    The problems of simulating a one-dimensional bounded plasma system using particles in a gridded space are systematically explored and solutions to them are given. Such problems include the injection of particles at the boundaries, the solution of Poisson's equation, and the inclusion of an external circuit between the confining boundaries. A recently discovered artificial cooling effect is explained as being a side-effect of quiet injection, and its potential for causing serious but subtle errors in bounded simulation is noted. The methods described in the first part of the thesis are then applied to the simulation of an extension of the Pierce diode problem, specifically a Pierce diode modified by an external circuit between the electrodes. The results of these simulations agree to high accuracy with theory when a theory exists, and also show some interesting chaotic behavior in certain parameter regimes. The chaotic behavior is described in detail

  7. Assessment of the scatter correction procedures in single photon emission computed tomography imaging using simulation and clinical study

    Directory of Open Access Journals (Sweden)

    Mehravar Rafati

    2017-01-01

    Conclusion: The simulation and the clinical studies showed that the new approach could be better performance than DEW, TEW methods, according to values of the contrast, and the SNR for scatter correction.

  8. WWC Review of the Report "Conceptualizing Astronomical Scale: Virtual Simulations on Handheld Tablet Computers Reverse Misconceptions." What Works Clearinghouse Single Study Review

    Science.gov (United States)

    What Works Clearinghouse, 2014

    2014-01-01

    The 2014 study, "Conceptualizing Astronomical Scale: Virtual Simulations on Handheld Tablet Computers Reverse Misconceptions," examined the effects of using the true-to-scale (TTS) display mode versus the orrery display mode in the iPad's Solar Walk software application on students' knowledge of the Earth's place in the solar system. The…

  9. Computer-simulation study on fire behaviour in the ventilated cavity of ventilated façade systems

    Directory of Open Access Journals (Sweden)

    Giraldo María P.

    2013-11-01

    Full Text Available Fire spread through the façades is widely recognized as one of the fastest pathways of fire spreading in the buildings. Fire may spread through the façade in different ways depending on the type of façade system and on the elements and materials from which it is constructed. Ventilated façades are multilayer systems whose main feature is the creation of an air chamber of circulating air between the original building wall and the external cladding. The “chimney effect” in the air cavity is a mechanism that improves the façade's thermal behaviour and avoids the appearance of moisture from rain or condensation. However, in a event of fire, it may contribute to the quickest spreading of fire, representing a significant risk to the upper floors of a building. This study deals with some aspects of fire propagation through the ventilated cavity in ventilated façade systems. Also we review the provisions stipulated by the Spanish building code (Código Técnico de la Edificación, CTE [1] to avoid fire spread outside the building. The results highlight the importance of the use of proper fire barriers to ensure the compartmentalization of the ventilated cavity, as well as the use of non-combustible thermal insulation materials, among others. In addition, based on the results, it might be considered that the measures stipulated by the CTE are insufficient to limit the risks associated with this kind of façades systems. The study has been performed using field models of computational fluid-dynamics. In particular, the Fire Dynamics Simulator (FDS software has been used to numerically solve the mathematical integration models.

  10. Quantum simulations with noisy quantum computers

    Science.gov (United States)

    Gambetta, Jay

    Quantum computing is a new computational paradigm that is expected to lie beyond the standard model of computation. This implies a quantum computer can solve problems that can't be solved by a conventional computer with tractable overhead. To fully harness this power we need a universal fault-tolerant quantum computer. However the overhead in building such a machine is high and a full solution appears to be many years away. Nevertheless, we believe that we can build machines in the near term that cannot be emulated by a conventional computer. It is then interesting to ask what these can be used for. In this talk we will present our advances in simulating complex quantum systems with noisy quantum computers. We will show experimental implementations of this on some small quantum computers.

  11. Computer simulations of a rough sphere fluid

    International Nuclear Information System (INIS)

    Lyklema, J.W.

    1978-01-01

    A computer simulation is described on rough hard spheres with a continuously variable roughness parameter, including the limits of smooth and completely rough spheres. A system of 500 particles is simulated with a homogeneous mass distribution at 8 different densities and for 5 different values of the roughness parameter. For these 40 physically different situations the intermediate scattering function for 6 values of the wave number, the orientational correlation functions and the velocity autocorrelation functions have been calculated. A comparison has been made with a neutron scattering experiment on neopentane and agreement was good for an intermediate value of the roughness parameter. Some often made approximations in neutron scattering experiments are also checked. The influence of the variable roughness parameter on the correlation functions has been investigated and three simple stochastic models studied to describe the orientational correlation function which shows the most pronounced dependence on the roughness. (Auth.)

  12. A computer simulation of auger electron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ragheb, M S; Bakr, M H.S. [Dept. Of Accellerators and Ion Sources, Division of Basic Nuclear Sciences, NRC, Atomic Energy Authority, (Egypt)

    1997-12-31

    A simulation study of Auger electron spectroscopy was performed to reveal how far the dependency between the different parameters governing the experimental behavior affects the peaks. The experimental procedure followed by the AC modulation technique were reproduced by means of a computer program. It generates the assumed output Auger electron peaks, exposes them to a retarding AC modulated field and collects the resulting modulated signals. The program produces the lock-in treatment in order to demodulate the signals revealing the Auger peaks. It analyzes the spectrum obtained giving the peak positions and energies. Comparison between results of simulation and the experimental data showed good agreement. The peaks of the spectrum obtained depend upon the amplitude, frequency and resolution of the applied modulated signal. The peak shape is effected by the rise time, the slope and the starting potential of the retarding field. 4 figs.

  13. Computer simulations of collisionless shock waves

    International Nuclear Information System (INIS)

    Leroy, M.M.

    1984-01-01

    A review of the contributions of particle computer simulations to the understanding of the physics of magnetic shock waves in collisionless plasmas is presented. The emphasis is on the relation between the computer simulation results, spacecraft observations of shocks in space, and related theories, rather than on technical aspects of the numerics. It is shown that much has been learned from the comparison of ISEE spacecraft observations of the terrestrial bow shock and particle computer simulations concerning the quasi-perpendicular, supercritical shock (ion scale structure, ion reflection mechanism and ultimate dissipation processes). Particle computer simulations have also had an appreciable prospective role in the investigation of the physics of quasi-parallel shocks, about which still little is known observationally. Moreover, these numerical techniques have helped to clarify the process of suprathermal ion rejection by the shock into the foreshock, and the subsequent evolution of the ions in the foreshock. 95 references

  14. Augmented Reality Simulations on Handheld Computers

    Science.gov (United States)

    Squire, Kurt; Klopfer, Eric

    2007-01-01

    Advancements in handheld computing, particularly its portability, social interactivity, context sensitivity, connectivity, and individuality, open new opportunities for immersive learning environments. This article articulates the pedagogical potential of augmented reality simulations in environmental engineering education by immersing students in…

  15. Computer Simulation in Information and Communication Engineering

    CERN Multimedia

    Anton Topurov

    2005-01-01

    CSICE'05 Sofia, Bulgaria 20th - 22nd October, 2005 On behalf of the International Scientific Committee, we would like to invite you all to Sofia, the capital city of Bulgaria, to the International Conference in Computer Simulation in Information and Communication Engineering CSICE'05. The Conference is aimed at facilitating the exchange of experience in the field of computer simulation gained not only in traditional fields (Communications, Electronics, Physics...) but also in the areas of biomedical engineering, environment, industrial design, etc. The objective of the Conference is to bring together lectures, researchers and practitioners from different countries, working in the fields of computer simulation in information engineering, in order to exchange information and bring new contribution to this important field of engineering design and education. The Conference will bring you the latest ideas and development of the tools for computer simulation directly from their inventors. Contribution describ...

  16. Computer Simulations, Disclosure and Duty of Care

    Directory of Open Access Journals (Sweden)

    John Barlow

    2006-05-01

    Full Text Available Computer simulations provide cost effective methods for manipulating and modeling 'reality'. However they are not real. They are imitations of a system or event, real or fabricated, and as such mimic, duplicate or represent that system or event. The degree to which a computer simulation aligns with and reproduces the ‘reality’ of the system or event it attempts to mimic or duplicate depends upon many factors including the efficiency of the simulation algorithm, the processing power of the computer hardware used to run the simulation model, and the expertise, assumptions and prejudices of those concerned with designing, implementing and interpreting the simulation output. Computer simulations in particular are increasingly replacing physical experimentation in many disciplines, and as a consequence, are used to underpin quite significant decision-making which may impact on ‘innocent’ third parties. In this context, this paper examines two interrelated issues: Firstly, how much and what kind of information should a simulation builder be required to disclose to potential users of the simulation? Secondly, what are the implications for a decision-maker who acts on the basis of their interpretation of a simulation output without any reference to its veracity, which may in turn comprise the safety of other parties?

  17. Computer Based Modelling and Simulation

    Indian Academy of Sciences (India)

    where x increases from zero to N, the saturation value. Box 1. Matrix Meth- ... such as Laplace transforms and non-linear differential equa- tions with .... atomic bomb project in the. US in the early ... his work on game theory and computers.

  18. Trapped electron decay by the thermally-assisted tunnelling to electron acceptors in glassy matrices. A computer simulation study

    International Nuclear Information System (INIS)

    Feret, B.; Bartczak, W.M.; Kroh, J.

    1991-01-01

    The Redi-Hopefield quantum mechanical model of the thermally-assisted electron transfer has been applied to simulate the decay of trapped electrons by tunnelling to electron acceptor molecules added to the glassy matrix. It was assumed that the electron energy levels in donors and acceptors are statistically distributed and the electron excess energy after transfer is dissipated in the medium by the electron-phonon coupling. The electron decay curves were obtained by the method of computer simulation. It was found that for a given medium there exists a certain preferred value of the electronic excess energy which can be effectively converted into the matrix vibrations. If the mismatch of the electron states on the donor and acceptor coincides with the ''resonance'' energy the overall kinetics of electron transfer is accelerated. (author)

  19. Experimental and computer simulation study of radionuclide yields in the ADT materials irradiated with intermediate energy protons

    Energy Technology Data Exchange (ETDEWEB)

    Titarenko, Yu.E.; Shvedov, O.V.; Batyaev, V.F. [Inst. for Theoretical and Experimental Physics, B. Cheremushkinskaya, Moscow (Russian Federation)] [and others

    1998-11-01

    The results of measurements and computer simulations of the yields of residual product nuclei in {sup 209}Bi, {sup 208,207,206,nat}Pb, {sup 65,63}Cu, {sup 59}Co thin targets irradiated by 0.13, 1.2 and 1.5 GeV protons are presented. The yields were measured by direct high-precision {gamma}-spectrometry. The process was monitored by the {sup 27}Al(p,x){sup 24}Na reaction. 801 cross sections are presented and used in comparisons between the reaction yields obtained experimentally and simulated by the HETC, GNASH, LAHET, INUCL, CEM95, CASCADE, NUCLEUS, YIELDX, QMD and ALICE codes. (author)

  20. A simulation study on proton computed tomography (CT) stopping power accuracy using dual energy CT scans as benchmark

    DEFF Research Database (Denmark)

    Hansen, David Christoffer; Seco, Joao; Sørensen, Thomas Sangild

    2015-01-01

    Background. Accurate stopping power estimation is crucial for treatment planning in proton therapy, and the uncertainties in stopping power are currently the largest contributor to the employed dose margins. Dual energy x-ray computed tomography (CT) (clinically available) and proton CT (in...... development) have both been proposed as methods for obtaining patient stopping power maps. The purpose of this work was to assess the accuracy of proton CT using dual energy CT scans of phantoms to establish reference accuracy levels. Material and methods. A CT calibration phantom and an abdomen cross section...... phantom containing inserts were scanned with dual energy and single energy CT with a state-of-the-art dual energy CT scanner. Proton CT scans were simulated using Monte Carlo methods. The simulations followed the setup used in current prototype proton CT scanners and included realistic modeling...

  1. REACTOR: a computer simulation for schools

    International Nuclear Information System (INIS)

    Squires, D.

    1985-01-01

    The paper concerns computer simulation of the operation of a nuclear reactor, for use in schools. The project was commissioned by UKAEA, and carried out by the Computers in the Curriculum Project, Chelsea College. The program, for an advanced gas cooled reactor, is briefly described. (U.K.)

  2. Learning and instruction with computer simulations

    NARCIS (Netherlands)

    de Jong, Anthonius J.M.

    1991-01-01

    The present volume presents the results of an inventory of elements of such a computer learning environment. This inventory was conducted within a DELTA project called SIMULATE. In the project a learning environment that provides intelligent support to learners and that has a simulation as its

  3. Salesperson Ethics: An Interactive Computer Simulation

    Science.gov (United States)

    Castleberry, Stephen

    2014-01-01

    A new interactive computer simulation designed to teach sales ethics is described. Simulation learner objectives include gaining a better understanding of legal issues in selling; realizing that ethical dilemmas do arise in selling; realizing the need to be honest when selling; seeing that there are conflicting demands from a salesperson's…

  4. Slab cooling system design using computer simulation

    NARCIS (Netherlands)

    Lain, M.; Zmrhal, V.; Drkal, F.; Hensen, J.L.M.

    2007-01-01

    For a new technical library building in Prague computer simulations were carried out to help design of slab cooling system and optimize capacity of chillers. In the paper is presented concept of new technical library HVAC system, the model of the building, results of the energy simulations for

  5. Simulations of Probabilities for Quantum Computing

    Science.gov (United States)

    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.

  6. Influence of radioactive sources discretization in the Monte Carlo computational simulations of brachytherapy procedures: a case study on the procedures for treatment of prostate cancer

    International Nuclear Information System (INIS)

    Barbosa, Antonio Konrado de Santana; Vieira, Jose Wilson; Costa, Kleber Souza Silva; Lima, Fernando Roberto de Andrade

    2011-01-01

    Radiotherapy computational simulation procedures using Monte Carlo (MC) methods have shown to be increasingly important to the improvement of cancer fighting strategies. One of the biases in this practice is the discretization of the radioactive source in brachytherapy simulations, which often do not match with a real situation. This study had the aim to identify and to measure the influence of radioactive sources discretization in brachytherapy MC simulations when compared to those that do not present discretization, using prostate brachytherapy with Iodine-125 radionuclide as model. Simulations were carried out with 108 events with both types of sources to compare them using EGSnrc code associated to MASH phantom in orthostatic and supine positions with some anatomic adaptations. Significant alterations were found, especially regarding bladder, rectum and the prostate itself. It can be concluded that there is a need to discretized sources in brachytherapy simulations to ensure its representativeness. (author)

  7. [Animal experimentation, computer simulation and surgical research].

    Science.gov (United States)

    Carpentier, Alain

    2009-11-01

    We live in a digital world In medicine, computers are providing new tools for data collection, imaging, and treatment. During research and development of complex technologies and devices such as artificial hearts, computer simulation can provide more reliable information than experimentation on large animals. In these specific settings, animal experimentation should serve more to validate computer models of complex devices than to demonstrate their reliability.

  8. Computer graphics in heat-transfer simulations

    International Nuclear Information System (INIS)

    Hamlin, G.A. Jr.

    1980-01-01

    Computer graphics can be very useful in the setup of heat transfer simulations and in the display of the results of such simulations. The potential use of recently available low-cost graphics devices in the setup of such simulations has not been fully exploited. Several types of graphics devices and their potential usefulness are discussed, and some configurations of graphics equipment are presented in the low-, medium-, and high-price ranges

  9. Computer simulation of gear tooth manufacturing processes

    Science.gov (United States)

    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.

  10. Cluster computing software for GATE simulations

    International Nuclear Information System (INIS)

    Beenhouwer, Jan de; Staelens, Steven; Kruecker, Dirk; Ferrer, Ludovic; D'Asseler, Yves; Lemahieu, Ignace; Rannou, Fernando R.

    2007-01-01

    Geometry and tracking (GEANT4) is a Monte Carlo package designed for high energy physics experiments. It is used as the basis layer for Monte Carlo simulations of nuclear medicine acquisition systems in GEANT4 Application for Tomographic Emission (GATE). GATE allows the user to realistically model experiments using accurate physics models and time synchronization for detector movement through a script language contained in a macro file. The downside of this high accuracy is long computation time. This paper describes a platform independent computing approach for running GATE simulations on a cluster of computers in order to reduce the overall simulation time. Our software automatically creates fully resolved, nonparametrized macros accompanied with an on-the-fly generated cluster specific submit file used to launch the simulations. The scalability of GATE simulations on a cluster is investigated for two imaging modalities, positron emission tomography (PET) and single photon emission computed tomography (SPECT). Due to a higher sensitivity, PET simulations are characterized by relatively high data output rates that create rather large output files. SPECT simulations, on the other hand, have lower data output rates but require a long collimator setup time. Both of these characteristics hamper scalability as a function of the number of CPUs. The scalability of PET simulations is improved here by the development of a fast output merger. The scalability of SPECT simulations is improved by greatly reducing the collimator setup time. Accordingly, these two new developments result in higher scalability for both PET and SPECT simulations and reduce the computation time to more practical values

  11. Atomistic computer simulations a practical guide

    CERN Document Server

    Brazdova, Veronika

    2013-01-01

    Many books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory ""how to"" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters o

  12. Polymer Composites Corrosive Degradation: A Computational Simulation

    Science.gov (United States)

    Chamis, Christos C.; Minnetyan, Levon

    2007-01-01

    A computational simulation of polymer composites corrosive durability is presented. The corrosive environment is assumed to manage the polymer composite degradation on a ply-by-ply basis. The degradation is correlated with a measured pH factor and is represented by voids, temperature and moisture which vary parabolically for voids and linearly for temperature and moisture through the laminate thickness. The simulation is performed by a computational composite mechanics computer code which includes micro, macro, combined stress failure and laminate theories. This accounts for starting the simulation from constitutive material properties and up to the laminate scale which exposes the laminate to the corrosive environment. Results obtained for one laminate indicate that the ply-by-ply degradation degrades the laminate to the last one or the last several plies. Results also demonstrate that the simulation is applicable to other polymer composite systems as well.

  13. Crystal engineering of ibuprofen compounds: From molecule to crystal structure to morphology prediction by computational simulation and experimental study

    Science.gov (United States)

    Zhang, Min; Liang, Zuozhong; Wu, Fei; Chen, Jian-Feng; Xue, Chunyu; Zhao, Hong

    2017-06-01

    We selected the crystal structures of ibuprofen with seven common space groups (Cc, P21/c, P212121, P21, Pbca, Pna21, and Pbcn), which was generated from ibuprofen molecule by molecular simulation. The predicted crystal structures of ibuprofen with space group P21/c has the lowest total energy and the largest density, which is nearly indistinguishable with experimental result. In addition, the XRD patterns for predicted crystal structure are highly consistent with recrystallization from solvent of ibuprofen. That indicates that the simulation can accurately predict the crystal structure of ibuprofen from the molecule. Furthermore, based on this crystal structure, we predicted the crystal habit in vacuum using the attachment energy (AE) method and considered solvent effects in a systematic way using the modified attachment energy (MAE) model. The simulation can accurately construct a complete process from molecule to crystal structure to morphology prediction. Experimentally, we observed crystal morphologies in four different polarity solvents compounds (ethanol, acetonitrile, ethyl acetate, and toluene). We found that the aspect ratio decreases of crystal habits in this ibuprofen system were found to vary with increasing solvent relative polarity. Besides, the modified crystal morphologies are in good agreement with the observed experimental morphologies. Finally, this work may guide computer-aided design of the desirable crystal morphology.

  14. Study on efficiency of time computation in x-ray imaging simulation base on Monte Carlo algorithm using graphics processing unit

    International Nuclear Information System (INIS)

    Setiani, Tia Dwi; Suprijadi; Haryanto, Freddy

    2016-01-01

    Monte Carlo (MC) is one of the powerful techniques for simulation in x-ray imaging. MC method can simulate the radiation transport within matter with high accuracy and provides a natural way to simulate radiation transport in complex systems. One of the codes based on MC algorithm that are widely used for radiographic images simulation is MC-GPU, a codes developed by Andrea Basal. This study was aimed to investigate the time computation of x-ray imaging simulation in GPU (Graphics Processing Unit) compared to a standard CPU (Central Processing Unit). Furthermore, the effect of physical parameters to the quality of radiographic images and the comparison of image quality resulted from simulation in the GPU and CPU are evaluated in this paper. The simulations were run in CPU which was simulated in serial condition, and in two GPU with 384 cores and 2304 cores. In simulation using GPU, each cores calculates one photon, so, a large number of photon were calculated simultaneously. Results show that the time simulations on GPU were significantly accelerated compared to CPU. The simulations on the 2304 core of GPU were performed about 64 -114 times faster than on CPU, while the simulation on the 384 core of GPU were performed about 20 – 31 times faster than in a single core of CPU. Another result shows that optimum quality of images from the simulation was gained at the history start from 10"8 and the energy from 60 Kev to 90 Kev. Analyzed by statistical approach, the quality of GPU and CPU images are relatively the same.

  15. Study on efficiency of time computation in x-ray imaging simulation base on Monte Carlo algorithm using graphics processing unit

    Energy Technology Data Exchange (ETDEWEB)

    Setiani, Tia Dwi, E-mail: tiadwisetiani@gmail.com [Computational Science, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung Jalan Ganesha 10 Bandung, 40132 (Indonesia); Suprijadi [Computational Science, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung Jalan Ganesha 10 Bandung, 40132 (Indonesia); Nuclear Physics and Biophysics Reaserch Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung Jalan Ganesha 10 Bandung, 40132 (Indonesia); Haryanto, Freddy [Nuclear Physics and Biophysics Reaserch Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung Jalan Ganesha 10 Bandung, 40132 (Indonesia)

    2016-03-11

    Monte Carlo (MC) is one of the powerful techniques for simulation in x-ray imaging. MC method can simulate the radiation transport within matter with high accuracy and provides a natural way to simulate radiation transport in complex systems. One of the codes based on MC algorithm that are widely used for radiographic images simulation is MC-GPU, a codes developed by Andrea Basal. This study was aimed to investigate the time computation of x-ray imaging simulation in GPU (Graphics Processing Unit) compared to a standard CPU (Central Processing Unit). Furthermore, the effect of physical parameters to the quality of radiographic images and the comparison of image quality resulted from simulation in the GPU and CPU are evaluated in this paper. The simulations were run in CPU which was simulated in serial condition, and in two GPU with 384 cores and 2304 cores. In simulation using GPU, each cores calculates one photon, so, a large number of photon were calculated simultaneously. Results show that the time simulations on GPU were significantly accelerated compared to CPU. The simulations on the 2304 core of GPU were performed about 64 -114 times faster than on CPU, while the simulation on the 384 core of GPU were performed about 20 – 31 times faster than in a single core of CPU. Another result shows that optimum quality of images from the simulation was gained at the history start from 10{sup 8} and the energy from 60 Kev to 90 Kev. Analyzed by statistical approach, the quality of GPU and CPU images are relatively the same.

  16. Computer simulation at high pressure

    International Nuclear Information System (INIS)

    Alder, B.J.

    1977-11-01

    The use of either the Monte Carlo or molecular dynamics method to generate equations-of-state data for various materials at high pressure is discussed. Particular emphasis is given to phase diagrams, such as the generation of various types of critical lines for mixtures, melting, structural and electronic transitions in solids, two-phase ionic fluid systems of astrophysical interest, as well as a brief aside of possible eutectic behavior in the interior of the earth. Then the application of the molecular dynamics method to predict transport coefficients and the neutron scattering function is discussed with a view as to what special features high pressure brings out. Lastly, an analysis by these computational methods of the measured intensity and frequency spectrum of depolarized light and also of the deviation of the dielectric measurements from the constancy of the Clausius--Mosotti function is given that leads to predictions of how the electronic structure of an atom distorts with pressure

  17. Computer simulation of defect cluster

    Energy Technology Data Exchange (ETDEWEB)

    Kuramoto, Eiichi [Kyushu Univ., Kasuga, Fukuoka (Japan). Research Inst. for Applied Mechanics

    1996-04-01

    In order to elucidate individual element process of various defects and defect clusters of used materials under irradiation environments, interatomic potential with reliability was investigated. And for comparison with experimental results, it is often required to adopt the temperature effect and to investigate in details mechanism of one dimensional motion of micro conversion loop and so forth using the molecular dynamic (MD) method. Furthermore, temperature effect is also supposed for stable structure of defects and defect clusters, and many problems relating to alloy element are also remained. And, simulation on photon life at the defects and defect clusters thought to be important under comparison with equipment can also be supposed an improvement of effectiveness due to relation to theses products. In this paper, some topics in such flow was extracted to explain them. In particular, future important problems will be potential preparation of alloy, structure, dynamic behavior and limited temperature of intralattice atomic cluster. (G.K.)

  18. Sophistication of computational science and fundamental physics simulations

    International Nuclear Information System (INIS)

    Ishiguro, Seiji; Ito, Atsushi; Usami, Shunsuke; Ohtani, Hiroaki; Sakagami, Hitoshi; Toida, Mieko; Hasegawa, Hiroki; Horiuchi, Ritoku; Miura, Hideaki

    2016-01-01

    Numerical experimental reactor research project is composed of the following studies: (1) nuclear fusion simulation research with a focus on specific physical phenomena of specific equipment, (2) research on advanced simulation method to increase predictability or expand its application range based on simulation, (3) visualization as the foundation of simulation research, (4) research for advanced computational science such as parallel computing technology, and (5) research aiming at elucidation of fundamental physical phenomena not limited to specific devices. Specifically, a wide range of researches with medium- to long-term perspectives are being developed: (1) virtual reality visualization, (2) upgrading of computational science such as multilayer simulation method, (3) kinetic behavior of plasma blob, (4) extended MHD theory and simulation, (5) basic plasma process such as particle acceleration due to interaction of wave and particle, and (6) research related to laser plasma fusion. This paper reviews the following items: (1) simultaneous visualization in virtual reality space, (2) multilayer simulation of collisionless magnetic reconnection, (3) simulation of microscopic dynamics of plasma coherent structure, (4) Hall MHD simulation of LHD, (5) numerical analysis for extension of MHD equilibrium and stability theory, (6) extended MHD simulation of 2D RT instability, (7) simulation of laser plasma, (8) simulation of shock wave and particle acceleration, and (9) study on simulation of homogeneous isotropic MHD turbulent flow. (A.O.)

  19. Computational steering of GEM based detector simulations

    Science.gov (United States)

    Sheharyar, Ali; Bouhali, Othmane

    2017-10-01

    Gas based detector R&D relies heavily on full simulation of detectors and their optimization before final prototypes can be built and tested. These simulations in particular those with complex scenarios such as those involving high detector voltages or gas with larger gains are computationally intensive may take several days or weeks to complete. These long-running simulations usually run on the high-performance computers in batch mode. If the results lead to unexpected behavior, then the simulation might be rerun with different parameters. However, the simulations (or jobs) may have to wait in a queue until they get a chance to run again because the supercomputer is a shared resource that maintains a queue of other user programs as well and executes them as time and priorities permit. It may result in inefficient resource utilization and increase in the turnaround time for the scientific experiment. To overcome this issue, the monitoring of the behavior of a simulation, while it is running (or live), is essential. In this work, we employ the computational steering technique by coupling the detector simulations with a visualization package named VisIt to enable the exploration of the live data as it is produced by the simulation.

  20. Computer simulation of thermal plant operations

    CERN Document Server

    O'Kelly, Peter

    2012-01-01

    This book describes thermal plant simulation, that is, dynamic simulation of plants which produce, exchange and otherwise utilize heat as their working medium. Directed at chemical, mechanical and control engineers involved with operations, control and optimization and operator training, the book gives the mathematical formulation and use of simulation models of the equipment and systems typically found in these industries. The author has adopted a fundamental approach to the subject. The initial chapters provide an overview of simulation concepts and describe a suitable computer environment.

  1. Computer simulation of fatigue under diametrical compression

    International Nuclear Information System (INIS)

    Carmona, H. A.; Kun, F.; Andrade, J. S. Jr.; Herrmann, H. J.

    2007-01-01

    We study the fatigue fracture of disordered materials by means of computer simulations of a discrete element model. We extend a two-dimensional fracture model to capture the microscopic mechanisms relevant for fatigue and we simulate the diametric compression of a disc shape specimen under a constant external force. The model allows us to follow the development of the fracture process on the macrolevel and microlevel varying the relative influence of the mechanisms of damage accumulation over the load history and healing of microcracks. As a specific example we consider recent experimental results on the fatigue fracture of asphalt. Our numerical simulations show that for intermediate applied loads the lifetime of the specimen presents a power law behavior. Under the effect of healing, more prominent for small loads compared to the tensile strength of the material, the lifetime of the sample increases and a fatigue limit emerges below which no macroscopic failure occurs. The numerical results are in a good qualitative agreement with the experimental findings

  2. Numerical characteristics of quantum computer simulation

    Science.gov (United States)

    Chernyavskiy, A.; Khamitov, K.; Teplov, A.; Voevodin, V.; Voevodin, Vl.

    2016-12-01

    The simulation of quantum circuits is significantly important for the implementation of quantum information technologies. The main difficulty of such modeling is the exponential growth of dimensionality, thus the usage of modern high-performance parallel computations is relevant. As it is well known, arbitrary quantum computation in circuit model can be done by only single- and two-qubit gates, and we analyze the computational structure and properties of the simulation of such gates. We investigate the fact that the unique properties of quantum nature lead to the computational properties of the considered algorithms: the quantum parallelism make the simulation of quantum gates highly parallel, and on the other hand, quantum entanglement leads to the problem of computational locality during simulation. We use the methodology of the AlgoWiki project (algowiki-project.org) to analyze the algorithm. This methodology consists of theoretical (sequential and parallel complexity, macro structure, and visual informational graph) and experimental (locality and memory access, scalability and more specific dynamic characteristics) parts. Experimental part was made by using the petascale Lomonosov supercomputer (Moscow State University, Russia). We show that the simulation of quantum gates is a good base for the research and testing of the development methods for data intense parallel software, and considered methodology of the analysis can be successfully used for the improvement of the algorithms in quantum information science.

  3. A simulation-based study on the influence of beam hardening in X-ray computed tomography for dimensional metrology.

    Science.gov (United States)

    Lifton, Joseph J; Malcolm, Andrew A; McBride, John W

    2015-01-01

    X-ray computed tomography (CT) is a radiographic scanning technique for visualising cross-sectional images of an object non-destructively. From these cross-sectional images it is possible to evaluate internal dimensional features of a workpiece which may otherwise be inaccessible to tactile and optical instruments. Beam hardening is a physical process that degrades the quality of CT images and has previously been suggested to influence dimensional measurements. Using a validated simulation tool, the influence of spectrum pre-filtration and beam hardening correction are evaluated for internal and external dimensional measurements. Beam hardening is shown to influence internal and external dimensions in opposition, and to have a greater influence on outer dimensions compared to inner dimensions. The results suggest the combination of spectrum pre-filtration and a local gradient-based surface determination method are able to greatly reduce the influence of beam hardening in X-ray CT for dimensional metrology.

  4. The Use of Model Matching Video Analysis and Computational Simulation to Study the Ankle Sprain Injury Mechanism

    Directory of Open Access Journals (Sweden)

    Daniel Tik-Pui Fong

    2012-10-01

    Full Text Available Lateral ankle sprains continue to be the most common injury sustained by athletes and create an annual healthcare burden of over $4 billion in the U.S. alone. Foot inversion is suspected in these cases, but the mechanism of injury remains unclear. While kinematics and kinetics data are crucial in understanding the injury mechanisms, ligament behaviour measures – such as ligament strains – are viewed as the potential causal factors of ankle sprains. This review article demonstrates a novel methodology that integrates model matching video analyses with computational simulations in order to investigate injury-producing events for a better understanding of such injury mechanisms. In particular, ankle joint kinematics from actual injury incidents were deduced by model matching video analyses and then input into a generic computational model based on rigid bone surfaces and deformable ligaments of the ankle so as to investigate the ligament strains that accompany these sprain injuries. These techniques may have the potential for guiding ankle sprain prevention strategies and targeted rehabilitation therapies.

  5. An integrated computational tool for precipitation simulation

    Science.gov (United States)

    Cao, W.; Zhang, F.; Chen, S.-L.; Zhang, C.; Chang, Y. A.

    2011-07-01

    Computer aided materials design is of increasing interest because the conventional approach solely relying on experimentation is no longer viable within the constraint of available resources. Modeling of microstructure and mechanical properties during precipitation plays a critical role in understanding the behavior of materials and thus accelerating the development of materials. Nevertheless, an integrated computational tool coupling reliable thermodynamic calculation, kinetic simulation, and property prediction of multi-component systems for industrial applications is rarely available. In this regard, we are developing a software package, PanPrecipitation, under the framework of integrated computational materials engineering to simulate precipitation kinetics. It is seamlessly integrated with the thermodynamic calculation engine, PanEngine, to obtain accurate thermodynamic properties and atomic mobility data necessary for precipitation simulation.

  6. Automatic temperature computation for realistic IR simulation

    Science.gov (United States)

    Le Goff, Alain; Kersaudy, Philippe; Latger, Jean; Cathala, Thierry; Stolte, Nilo; Barillot, Philippe

    2000-07-01

    Polygon temperature computation in 3D virtual scenes is fundamental for IR image simulation. This article describes in detail the temperature calculation software and its current extensions, briefly presented in [1]. This software, called MURET, is used by the simulation workshop CHORALE of the French DGA. MURET is a one-dimensional thermal software, which accurately takes into account the material thermal attributes of three-dimensional scene and the variation of the environment characteristics (atmosphere) as a function of the time. Concerning the environment, absorbed incident fluxes are computed wavelength by wavelength, for each half an hour, druing 24 hours before the time of the simulation. For each polygon, incident fluxes are compsed of: direct solar fluxes, sky illumination (including diffuse solar fluxes). Concerning the materials, classical thermal attributes are associated to several layers, such as conductivity, absorption, spectral emissivity, density, specific heat, thickness and convection coefficients are taken into account. In the future, MURET will be able to simulate permeable natural materials (water influence) and vegetation natural materials (woods). This model of thermal attributes induces a very accurate polygon temperature computation for the complex 3D databases often found in CHORALE simulations. The kernel of MUET consists of an efficient ray tracer allowing to compute the history (over 24 hours) of the shadowed parts of the 3D scene and a library, responsible for the thermal computations. The great originality concerns the way the heating fluxes are computed. Using ray tracing, the flux received in each 3D point of the scene accurately takes into account the masking (hidden surfaces) between objects. By the way, this library supplies other thermal modules such as a thermal shows computation tool.

  7. Computer simulation of probability of detection

    International Nuclear Information System (INIS)

    Fertig, K.W.; Richardson, J.M.

    1983-01-01

    This paper describes an integrated model for assessing the performance of a given ultrasonic inspection system for detecting internal flaws, where the performance of such a system is measured by probability of detection. The effects of real part geometries on sound propagations are accounted for and the noise spectra due to various noise mechanisms are measured. An ultrasonic inspection simulation computer code has been developed to be able to detect flaws with attributes ranging over an extensive class. The detection decision is considered to be a binary decision based on one received waveform obtained in a pulse-echo or pitch-catch setup. This study focuses on the detectability of flaws using an amplitude thresholding type. Some preliminary results on the detectability of radially oriented cracks in IN-100 for bore-like geometries are given

  8. Computer simulation of dynamic processes on accelerators

    International Nuclear Information System (INIS)

    Kol'ga, V.V.

    1979-01-01

    The problems of computer numerical investigation of motion of accelerated particles in accelerators and storages, an effect of different accelerator systems on the motion, determination of optimal characteristics of accelerated charged particle beams are considered. Various simulation representations are discussed which describe the accelerated particle dynamics, such as the enlarged particle method, the representation where a great number of discrete particle is substituted for a field of continuously distributed space charge, the method based on determination of averaged beam characteristics. The procedure is described of numerical studies involving the basic problems, viz. calculation of closed orbits, establishment of stability regions, investigation of resonance propagation determination of the phase stability region, evaluation of the space charge effect the problem of beam extraction. It is shown that most of such problems are reduced to solution of the Cauchy problem using a computer. The ballistic method which is applied to solution of the boundary value problem of beam extraction is considered. It is shown that introduction into the equation under study of additional members with the small positive regularization parameter is a general idea of the methods for regularization of noncorrect problems [ru

  9. Computer Simulation of Electron Positron Annihilation Processes

    Energy Technology Data Exchange (ETDEWEB)

    Chen, y

    2003-10-02

    With the launching of the Next Linear Collider coming closer and closer, there is a pressing need for physicists to develop a fully-integrated computer simulation of e{sup +}e{sup -} annihilation process at center-of-mass energy of 1TeV. A simulation program acts as the template for future experiments. Either new physics will be discovered, or current theoretical uncertainties will shrink due to more accurate higher-order radiative correction calculations. The existence of an efficient and accurate simulation will help us understand the new data and validate (or veto) some of the theoretical models developed to explain new physics. It should handle well interfaces between different sectors of physics, e.g., interactions happening at parton levels well above the QCD scale which are described by perturbative QCD, and interactions happening at much lower energy scale, which combine partons into hadrons. Also it should achieve competitive speed in real time when the complexity of the simulation increases. This thesis contributes some tools that will be useful for the development of such simulation programs. We begin our study by the development of a new Monte Carlo algorithm intended to perform efficiently in selecting weight-1 events when multiple parameter dimensions are strongly correlated. The algorithm first seeks to model the peaks of the distribution by features, adapting these features to the function using the EM algorithm. The representation of the distribution provided by these features is then improved using the VEGAS algorithm for the Monte Carlo integration. The two strategies mesh neatly into an effective multi-channel adaptive representation. We then present a new algorithm for the simulation of parton shower processes in high energy QCD. We want to find an algorithm which is free of negative weights, produces its output as a set of exclusive events, and whose total rate exactly matches the full Feynman amplitude calculation. Our strategy is to create

  10. Computer simulation of ultrasonic waves in solids

    International Nuclear Information System (INIS)

    Thibault, G.A.; Chaplin, K.

    1992-01-01

    A computer model that simulates the propagation of ultrasonic waves has been developed at AECL Research, Chalk River Laboratories. This program is called EWE, short for Elastic Wave Equations, the mathematics governing the propagation of ultrasonic waves. This report contains a brief summary of the use of ultrasonic waves in non-destructive testing techniques, a discussion of the EWE simulation code explaining the implementation of the equations and the types of output received from the model, and an example simulation showing the abilities of the model. (author). 2 refs., 2 figs

  11. Assessing Practical Skills in Physics Using Computer Simulations

    Science.gov (United States)

    Walsh, Kevin

    2018-01-01

    Computer simulations have been used very effectively for many years in the teaching of science but the focus has been on cognitive development. This study, however, is an investigation into the possibility that a student's experimental skills in the real-world environment can be judged via the undertaking of a suitably chosen computer simulation…

  12. Computer Simulation and Experimental Study of Deformation in a Radial Tire under Different Static Loads Using Finite Element Method

    Directory of Open Access Journals (Sweden)

    Mir Hamid Reza Ghoreishy

    2014-10-01

    Full Text Available This research work is devoted to the simulation of a steel-belted radial tire under different static loads. The nonlinear finite element calculations were performed using the MSC.MARC code, installed on a computer system equipped with a parallel processing technology. Hybrid elements in conjunction with two hyperelastic models, namely Marlow and Yeoh, and rebar layer implemented in surface elements were used for the modeling of rubbery and reinforcing parts, respectively. Linear elastic material models were also used for the modeling of the reinforcing elements including steel cord in belts, polyester cord in carcass and nylon cord in cap ply section. Two-dimensional axisymmetric elements were used for the modeling of rim-mounting and inflation and three-dimensional models were developed for the application of the radial, tangential, lateral and torsional loads. Different finite element models were developed, in which both linear and quadratic elements were used in conjunction with different mesh densities in order to find the optimum finite element model. Based on the results of the load deflection (displacement data, the tire stiffness under radial, tangential, lateral and torsional loads were calculated and compared with their corresponding experimentally measured values. The comparison was verified by the accuracy of the measured radial stiffness. However, due to the neglecting of the stiffness in shear and bending modes in cord-rubber composites, modeled with rebar layer methodology, the difference between computed values and real data are not small enough so that a more robust material models and element formulation are required to be developed.

  13. Computer simulations of shear thickening of concentrated dispersions

    NARCIS (Netherlands)

    Boersma, W.H.; Laven, J.; Stein, H.N.

    1995-01-01

    Stokesian dynamics computer simulations were performed on monolayers of equally sized spheres. The influence of repulsive and attractive forces on the rheological behavior and on the microstructure were studied. Under specific conditions shear thickening could be observed in the simulations, usually

  14. A simulation study on proton computed tomography (CT) stopping power accuracy using dual energy CT scans as benchmark.

    Science.gov (United States)

    Hansen, David C; Seco, Joao; Sørensen, Thomas Sangild; Petersen, Jørgen Breede Baltzer; Wildberger, Joachim E; Verhaegen, Frank; Landry, Guillaume

    2015-01-01

    Accurate stopping power estimation is crucial for treatment planning in proton therapy, and the uncertainties in stopping power are currently the largest contributor to the employed dose margins. Dual energy x-ray computed tomography (CT) (clinically available) and proton CT (in development) have both been proposed as methods for obtaining patient stopping power maps. The purpose of this work was to assess the accuracy of proton CT using dual energy CT scans of phantoms to establish reference accuracy levels. A CT calibration phantom and an abdomen cross section phantom containing inserts were scanned with dual energy and single energy CT with a state-of-the-art dual energy CT scanner. Proton CT scans were simulated using Monte Carlo methods. The simulations followed the setup used in current prototype proton CT scanners and included realistic modeling of detectors and the corresponding noise characteristics. Stopping power maps were calculated for all three scans, and compared with the ground truth stopping power from the phantoms. Proton CT gave slightly better stopping power estimates than the dual energy CT method, with root mean square errors of 0.2% and 0.5% (for each phantom) compared to 0.5% and 0.9%. Single energy CT root mean square errors were 2.7% and 1.6%. Maximal errors for proton, dual energy and single energy CT were 0.51%, 1.7% and 7.4%, respectively. Better stopping power estimates could significantly reduce the range errors in proton therapy, but requires a large improvement in current methods which may be achievable with proton CT.

  15. Tutorial: Parallel Computing of Simulation Models for Risk Analysis.

    Science.gov (United States)

    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.

  16. Biocellion: accelerating computer simulation of multicellular biological system models.

    Science.gov (United States)

    Kang, Seunghwa; Kahan, Simon; McDermott, Jason; Flann, Nicholas; Shmulevich, Ilya

    2014-11-01

    Biological system behaviors are often the outcome of complex interactions among a large number of cells and their biotic and abiotic environment. Computational biologists attempt to understand, predict and manipulate biological system behavior through mathematical modeling and computer simulation. Discrete agent-based modeling (in combination with high-resolution grids to model the extracellular environment) is a popular approach for building biological system models. However, the computational complexity of this approach forces computational biologists to resort to coarser resolution approaches to simulate large biological systems. High-performance parallel computers have the potential to address the computing challenge, but writing efficient software for parallel computers is difficult and time-consuming. We have developed Biocellion, a high-performance software framework, to solve this computing challenge using parallel computers. To support a wide range of multicellular biological system models, Biocellion asks users to provide their model specifics by filling the function body of pre-defined model routines. Using Biocellion, modelers without parallel computing expertise can efficiently exploit parallel computers with less effort than writing sequential programs from scratch. We simulate cell sorting, microbial patterning and a bacterial system in soil aggregate as case studies. Biocellion runs on x86 compatible systems with the 64 bit Linux operating system and is freely available for academic use. Visit http://biocellion.com for additional information. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  17. Computer simulation of sputtering: A review

    International Nuclear Information System (INIS)

    Robinson, M.T.; Hou, M.

    1992-08-01

    In 1986, H. H. Andersen reviewed attempts to understand sputtering by computer simulation and identified several areas where further research was needed: potential energy functions for molecular dynamics (MD) modelling; the role of inelastic effects on sputtering, especially near the target surface; the modelling of surface binding in models based on the binary collision approximation (BCA); aspects of cluster emission in MD models; and angular distributions of sputtered particles. To these may be added kinetic energy distributions of sputtered particles and the relationships between MD and BCA models, as well as the development of intermediate models. Many of these topics are discussed. Recent advances in BCA modelling include the explicit evaluation of the time in strict BCA codes and the development of intermediate codes able to simulate certain many-particle problems realistically. Developments in MD modelling include the wide-spread use of many-body potentials in sputtering calculations, inclusion of realistic electron excitation and electron-phonon interactions, and several studies of cluster ion impacts on solid surfaces

  18. Computer simulation of multiple dynamic photorefractive gratings

    DEFF Research Database (Denmark)

    Buchhave, Preben

    1998-01-01

    The benefits of a direct visualization of space-charge grating buildup are described. The visualization is carried out by a simple repetitive computer program, which simulates the basic processes in the band-transport model and displays the result graphically or in the form of numerical data. The...

  19. Computer simulations of the random barrier model

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    2002-01-01

    A brief review of experimental facts regarding ac electronic and ionic conduction in disordered solids is given followed by a discussion of what is perhaps the simplest realistic model, the random barrier model (symmetric hopping model). Results from large scale computer simulations are presented...

  20. Macromod: Computer Simulation For Introductory Economics

    Science.gov (United States)

    Ross, Thomas

    1977-01-01

    The Macroeconomic model (Macromod) is a computer assisted instruction simulation model designed for introductory economics courses. An evaluation of its utilization at a community college indicates that it yielded a 10 percent to 13 percent greater economic comprehension than lecture classes and that it met with high student approval. (DC)

  1. Computer Graphics Simulations of Sampling Distributions.

    Science.gov (United States)

    Gordon, Florence S.; Gordon, Sheldon P.

    1989-01-01

    Describes the use of computer graphics simulations to enhance student understanding of sampling distributions that arise in introductory statistics. Highlights include the distribution of sample proportions, the distribution of the difference of sample means, the distribution of the difference of sample proportions, and the distribution of sample…

  2. The Australian Computational Earth Systems Simulator

    Science.gov (United States)

    Mora, P.; Muhlhaus, H.; Lister, G.; Dyskin, A.; Place, D.; Appelbe, B.; Nimmervoll, N.; Abramson, D.

    2001-12-01

    Numerical simulation of the physics and dynamics of the entire earth system offers an outstanding opportunity for advancing earth system science and technology but represents a major challenge due to the range of scales and physical processes involved, as well as the magnitude of the software engineering effort required. However, new simulation and computer technologies are bringing this objective within reach. Under a special competitive national funding scheme to establish new Major National Research Facilities (MNRF), the Australian government together with a consortium of Universities and research institutions have funded construction of the Australian Computational Earth Systems Simulator (ACcESS). The Simulator or computational virtual earth will provide the research infrastructure to the Australian earth systems science community required for simulations of dynamical earth processes at scales ranging from microscopic to global. It will consist of thematic supercomputer infrastructure and an earth systems simulation software system. The Simulator models and software will be constructed over a five year period by a multi-disciplinary team of computational scientists, mathematicians, earth scientists, civil engineers and software engineers. The construction team will integrate numerical simulation models (3D discrete elements/lattice solid model, particle-in-cell large deformation finite-element method, stress reconstruction models, multi-scale continuum models etc) with geophysical, geological and tectonic models, through advanced software engineering and visualization technologies. When fully constructed, the Simulator aims to provide the software and hardware infrastructure needed to model solid earth phenomena including global scale dynamics and mineralisation processes, crustal scale processes including plate tectonics, mountain building, interacting fault system dynamics, and micro-scale processes that control the geological, physical and dynamic

  3. Effect of computer game playing on baseline laparoscopic simulator skills.

    Science.gov (United States)

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

    2013-08-01

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

  4. Computational Dehydration of Crystalline Hydrates Using Molecular Dynamics Simulations

    DEFF Research Database (Denmark)

    Larsen, Anders Støttrup; Rantanen, Jukka; Johansson, Kristoffer E

    2017-01-01

    Molecular dynamics (MD) simulations have evolved to an increasingly reliable and accessible technique and are today implemented in many areas of biomedical sciences. We present a generally applicable method to study dehydration of hydrates based on MD simulations and apply this approach...... to the dehydration of ampicillin trihydrate. The crystallographic unit cell of the trihydrate is used to construct the simulation cell containing 216 ampicillin and 648 water molecules. This system is dehydrated by removing water molecules during a 2200 ps simulation, and depending on the computational dehydration....... The structural changes could be followed in real time, and in addition, an intermediate amorphous phase was identified. The computationally identified dehydrated structure (anhydrate) was slightly different from the experimentally known anhydrate structure suggesting that the simulated computational structure...

  5. Computational algorithms for simulations in atmospheric optics.

    Science.gov (United States)

    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.

  6. Engineering Fracking Fluids with Computer Simulation

    Science.gov (United States)

    Shaqfeh, Eric

    2015-11-01

    There are no comprehensive simulation-based tools for engineering the flows of viscoelastic fluid-particle suspensions in fully three-dimensional geometries. On the other hand, the need for such a tool in engineering applications is immense. Suspensions of rigid particles in viscoelastic fluids play key roles in many energy applications. For example, in oil drilling the ``drilling mud'' is a very viscous, viscoelastic fluid designed to shear-thin during drilling, but thicken at stoppage so that the ``cuttings'' can remain suspended. In a related application known as hydraulic fracturing suspensions of solids called ``proppant'' are used to prop open the fracture by pumping them into the well. It is well-known that particle flow and settling in a viscoelastic fluid can be quite different from that which is observed in Newtonian fluids. First, it is now well known that the ``fluid particle split'' at bifurcation cracks is controlled by fluid rheology in a manner that is not understood. Second, in Newtonian fluids, the presence of an imposed shear flow in the direction perpendicular to gravity (which we term a cross or orthogonal shear flow) has no effect on the settling of a spherical particle in Stokes flow (i.e. at vanishingly small Reynolds number). By contrast, in a non-Newtonian liquid, the complex rheological properties induce a nonlinear coupling between the sedimentation and shear flow. Recent experimental data have shown both the shear thinning and the elasticity of the suspending polymeric solutions significantly affects the fluid-particle split at bifurcations, as well as the settling rate of the solids. In the present work, we use the Immersed Boundary Method to develop computer simulations of viscoelastic flow in suspensions of spheres to study these problems. These simulations allow us to understand the detailed physical mechanisms for the remarkable physical behavior seen in practice, and actually suggest design rules for creating new fluid recipes.

  7. The Simulation and Analysis of the Closed Die Hot Forging Process by A Computer Simulation Method

    Directory of Open Access Journals (Sweden)

    Dipakkumar Gohil

    2012-06-01

    Full Text Available The objective of this research work is to study the variation of various parameters such as stress, strain, temperature, force, etc. during the closed die hot forging process. A computer simulation modeling approach has been adopted to transform the theoretical aspects in to a computer algorithm which would be used to simulate and analyze the closed die hot forging process. For the purpose of process study, the entire deformation process has been divided in to finite number of steps appropriately and then the output values have been computed at each deformation step. The results of simulation have been graphically represented and suitable corrective measures are also recommended, if the simulation results do not agree with the theoretical values. This computer simulation approach would significantly improve the productivity and reduce the energy consumption of the overall process for the components which are manufactured by the closed die forging process and contribute towards the efforts in reducing the global warming.

  8. Assessing the relationship between computational speed and precision: a case study comparing an interpreted versus compiled programming language using a stochastic simulation model in diabetes care.

    Science.gov (United States)

    McEwan, Phil; Bergenheim, Klas; Yuan, Yong; Tetlow, Anthony P; Gordon, Jason P

    2010-01-01

    Simulation techniques are well suited to modelling diseases yet can be computationally intensive. This study explores the relationship between modelled effect size, statistical precision, and efficiency gains achieved using variance reduction and an executable programming language. A published simulation model designed to model a population with type 2 diabetes mellitus based on the UKPDS 68 outcomes equations was coded in both Visual Basic for Applications (VBA) and C++. Efficiency gains due to the programming language were evaluated, as was the impact of antithetic variates to reduce variance, using predicted QALYs over a 40-year time horizon. The use of C++ provided a 75- and 90-fold reduction in simulation run time when using mean and sampled input values, respectively. For a series of 50 one-way sensitivity analyses, this would yield a total run time of 2 minutes when using C++, compared with 155 minutes for VBA when using mean input values. The use of antithetic variates typically resulted in a 53% reduction in the number of simulation replications and run time required. When drawing all input values to the model from distributions, the use of C++ and variance reduction resulted in a 246-fold improvement in computation time compared with VBA - for which the evaluation of 50 scenarios would correspondingly require 3.8 hours (C++) and approximately 14.5 days (VBA). The choice of programming language used in an economic model, as well as the methods for improving precision of model output can have profound effects on computation time. When constructing complex models, more computationally efficient approaches such as C++ and variance reduction should be considered; concerns regarding model transparency using compiled languages are best addressed via thorough documentation and model validation.

  9. Computer simulation on molten ionic salts

    International Nuclear Information System (INIS)

    Kawamura, K.; Okada, I.

    1978-01-01

    The extensive advances in computer technology have since made it possible to apply computer simulation to the evaluation of the macroscopic and microscopic properties of molten salts. The evaluation of the potential energy in molten salts systems is complicated by the presence of long-range energy, i.e. Coulomb energy, in contrast to simple liquids where the potential energy is easily evaluated. It has been shown, however, that no difficulties are encountered when the Ewald method is applied to the evaluation of Coulomb energy. After a number of attempts had been made to approximate the pair potential, the Huggins-Mayer potential based on ionic crystals became the most often employed. Since it is thought that the only appreciable contribution to many-body potential, not included in Huggins-Mayer potential, arises from the internal electrostatic polarization of ions in molten ionic salts, computer simulation with a provision for ion polarization has been tried recently. The computations, which are employed mainly for molten alkali halides, can provide: (1) thermodynamic data such as internal energy, internal pressure and isothermal compressibility; (2) microscopic configurational data such as radial distribution functions; (3) transport data such as the diffusion coefficient and electrical conductivity; and (4) spectroscopic data such as the intensity of inelastic scattering and the stretching frequency of simple molecules. The computed results seem to agree well with the measured results. Computer simulation can also be used to test the effectiveness of a proposed pair potential and the adequacy of postulated models of molten salts, and to obtain experimentally inaccessible data. A further application of MD computation employing the pair potential based on an ionic model to BeF 2 , ZnCl 2 and SiO 2 shows the possibility of quantitative interpretation of structures and glass transformation phenomena

  10. Fluid dynamics theory, computation, and numerical simulation

    CERN Document Server

    Pozrikidis, C

    2001-01-01

    Fluid Dynamics Theory, Computation, and Numerical Simulation is the only available book that extends the classical field of fluid dynamics into the realm of scientific computing in a way that is both comprehensive and accessible to the beginner The theory of fluid dynamics, and the implementation of solution procedures into numerical algorithms, are discussed hand-in-hand and with reference to computer programming This book is an accessible introduction to theoretical and computational fluid dynamics (CFD), written from a modern perspective that unifies theory and numerical practice There are several additions and subject expansions in the Second Edition of Fluid Dynamics, including new Matlab and FORTRAN codes Two distinguishing features of the discourse are solution procedures and algorithms are developed immediately after problem formulations are presented, and numerical methods are introduced on a need-to-know basis and in increasing order of difficulty Matlab codes are presented and discussed for a broad...

  11. Fluid Dynamics Theory, Computation, and Numerical Simulation

    CERN Document Server

    Pozrikidis, Constantine

    2009-01-01

    Fluid Dynamics: Theory, Computation, and Numerical Simulation is the only available book that extends the classical field of fluid dynamics into the realm of scientific computing in a way that is both comprehensive and accessible to the beginner. The theory of fluid dynamics, and the implementation of solution procedures into numerical algorithms, are discussed hand-in-hand and with reference to computer programming. This book is an accessible introduction to theoretical and computational fluid dynamics (CFD), written from a modern perspective that unifies theory and numerical practice. There are several additions and subject expansions in the Second Edition of Fluid Dynamics, including new Matlab and FORTRAN codes. Two distinguishing features of the discourse are: solution procedures and algorithms are developed immediately after problem formulations are presented, and numerical methods are introduced on a need-to-know basis and in increasing order of difficulty. Matlab codes are presented and discussed for ...

  12. Pressure-induced transformations in glassy water: A computer simulation study using the TIP4P/2005 model

    Science.gov (United States)

    Wong, Jessina; Jahn, David A.; Giovambattista, Nicolas

    2015-08-01

    We study the pressure-induced transformations between low-density amorphous (LDA) and high-density amorphous (HDA) ice by performing out-of-equilibrium molecular dynamics (MD) simulations. We employ the TIP4P/2005 water model and show that this model reproduces qualitatively the LDA-HDA transformations observed experimentally. Specifically, the TIP4P/2005 model reproduces remarkably well the (i) structure (OO, OH, and HH radial distribution functions) and (ii) densities of LDA and HDA at P = 0.1 MPa and T = 80 K, as well as (iii) the qualitative behavior of ρ(P) during compression-induced LDA-to-HDA and decompression-induced HDA-to-LDA transformations. At the rates explored, the HDA-to-LDA transformation is less pronounced than in experiments. By studying the LDA-HDA transformations for a broad range of compression/decompression temperatures, we construct a "P-T phase diagram" for glassy water that is consistent with experiments and remarkably similar to that reported previously for ST2 water. This phase diagram is not inconsistent with the possibility of TIP4P/2005 water exhibiting a liquid-liquid phase transition at low temperatures. A comparison with previous MD simulation studies of SPC/E and ST2 water as well as experiments indicates that, overall, the TIP4P/2005 model performs better than the SPC/E and ST2 models. The effects of cooling and compression rates as well as aging on our MD simulations results are also discussed. The MD results are qualitatively robust under variations of cooling/compression rates (accessible in simulations) and are not affected by aging the hyperquenched glass for at least 1 μs. A byproduct of this work is the calculation of TIP4P/2005 water's diffusion coefficient D(T) at P = 0.1 MPa. It is found that, for T ≥ 210 K, D(T) ≈ (T - TMCT)-γ as predicted by mode coupling theory and in agreement with experiments. For TIP4P/2005 water, TMCT = 209 K and γ = 2.14, very close to the corresponding experimental values TMCT = 221 K

  13. Molecular dynamics simulations and applications in computational toxicology and nanotoxicology.

    Science.gov (United States)

    Selvaraj, Chandrabose; Sakkiah, Sugunadevi; Tong, Weida; Hong, Huixiao

    2018-02-01

    Nanotoxicology studies toxicity of nanomaterials and has been widely applied in biomedical researches to explore toxicity of various biological systems. Investigating biological systems through in vivo and in vitro methods is expensive and time taking. Therefore, computational toxicology, a multi-discipline field that utilizes computational power and algorithms to examine toxicology of biological systems, has gained attractions to scientists. Molecular dynamics (MD) simulations of biomolecules such as proteins and DNA are popular for understanding of interactions between biological systems and chemicals in computational toxicology. In this paper, we review MD simulation methods, protocol for running MD simulations and their applications in studies of toxicity and nanotechnology. We also briefly summarize some popular software tools for execution of MD simulations. Published by Elsevier Ltd.

  14. The Effect of D-(−-arabinose on Tyrosinase: An Integrated Study Using Computational Simulation and Inhibition Kinetics

    Directory of Open Access Journals (Sweden)

    Hong-Jian Liu

    2012-01-01

    Full Text Available Tyrosinase is a ubiquitous enzyme with diverse physiologic roles related to pigment production. Tyrosinase inhibition has been well studied for cosmetic, medicinal, and agricultural purposes. We simulated the docking of tyrosinase and D-(−-arabinose and found a binding energy of −4.5 kcal/mol for theup-formof D-(−-arabinose and −4.4 kcal/mol for thedown-form of D-(−-arabinose. The results of molecular dynamics simulation suggested that D-(−-arabinose interacts mostly with HIS85, HIS259, and HIS263, which are believed to be in the active site. Our kinetic study showed that D-(−-arabinose is a reversible, mixed-type inhibitor of tyrosinase (α-value =6.11±0.98, Ki=0.21±0.19 M. Measurements of intrinsic fluorescence showed that D-(−-arabinose induced obvious tertiary changes to tyrosinase (binding constant K=1.58±0.02 M−1, binding number n=1.49±0.06. This strategy of predicting tyrosinase inhibition based on specific interactions of aldehyde and hydroxyl groups with the enzyme may prove useful for screening potential tyrosinase inhibitors.

  15. Computer-Based Simulation Games in Public Administration Education

    Directory of Open Access Journals (Sweden)

    Kutergina Evgeniia

    2017-12-01

    Full Text Available Computer simulation, an active learning technique, is now one of the advanced pedagogical technologies. Th e use of simulation games in the educational process allows students to gain a firsthand understanding of the processes of real life. Public- administration, public-policy and political-science courses increasingly adopt simulation games in universities worldwide. Besides person-to-person simulation games, there are computer-based simulations in public-administration education. Currently in Russia the use of computer-based simulation games in Master of Public Administration (MPA curricula is quite limited. Th is paper focuses on computer- based simulation games for students of MPA programmes. Our aim was to analyze outcomes of implementing such games in MPA curricula. We have done so by (1 developing three computer-based simulation games about allocating public finances, (2 testing the games in the learning process, and (3 conducting a posttest examination to evaluate the effect of simulation games on students’ knowledge of municipal finances. Th is study was conducted in the National Research University Higher School of Economics (HSE and in the Russian Presidential Academy of National Economy and Public Administration (RANEPA during the period of September to December 2015, in Saint Petersburg, Russia. Two groups of students were randomly selected in each university and then randomly allocated either to the experimental or the control group. In control groups (n=12 in HSE, n=13 in RANEPA students had traditional lectures. In experimental groups (n=12 in HSE, n=13 in RANEPA students played three simulation games apart from traditional lectures. Th is exploratory research shows that the use of computer-based simulation games in MPA curricula can improve students’ outcomes by 38 %. In general, the experimental groups had better performances on the post-test examination (Figure 2. Students in the HSE experimental group had 27.5 % better

  16. Computer simulation of ICP spectra: A new tool for the study of excitation, emission, and line overlap

    International Nuclear Information System (INIS)

    Blades, M.W.; Burton, L.L.

    1986-01-01

    It is well known that the relatively high temperature of ICP sources provides an excitation environment relatively free from dissociation and vaporization interferences and, in addition, produces intense analyte line spectra and hence high analytical sensitivity. However, this feature also introduces the potential for spectral overlaps from sample concomitants. The degree to which an analyte spectral line intensity can be corrected for interfering spectral overlaps depends on many factors including spectrometer resolution, sample composition and ICP operating conditions. The authors have been using a computer program to assist them in the study of ICP analyte emission spectra. This program is being used to study the spectral distribution of line intensity information and also to do detailed investigations on spectral overlaps in complex sample mixtures. As input data the program uses tabulated wavelengths, transition probabilities (gA values), partition functions, excitation energies of the transitions, ionization energy, temperature, and Doppler and Stark linewidths

  17. A computer-simulated liver phantom (virtual liver phantom) for multidetector computed tomography evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Funama, Yoshinori [Kumamoto University, Department of Radiological Sciences, School of Health Sciences, Kumamoto (Japan); Awai, Kazuo; Nakayama, Yoshiharu; Liu, Da; Yamashita, Yasuyuki [Kumamoto University, Department of Diagnostic Radiology, Graduate School of Medical Sciences, Kumamoto (Japan); Miyazaki, Osamu; Goto, Taiga [Hitachi Medical Corporation, Tokyo (Japan); Hori, Shinichi [Gate Tower Institute of Image Guided Therapy, Osaka (Japan)

    2006-04-15

    The purpose of study was to develop a computer-simulated liver phantom for hepatic CT studies. A computer-simulated liver phantom was mathematically constructed on a computer workstation. The computer-simulated phantom was calibrated using real CT images acquired by an actual four-detector CT. We added an inhomogeneous texture to the simulated liver by referring to CT images of chronically damaged human livers. The mean CT number of the simulated liver was 60 HU and we added numerous 5-to 10-mm structures with 60{+-}10 HU/mm. To mimic liver tumors we added nodules measuring 8, 10, and 12 mm in diameter with CT numbers of 60{+-}10, 60{+-}15, and 60{+-}20 HU. Five radiologists visually evaluated similarity of the texture of the computer-simulated liver phantom and a real human liver to confirm the appropriateness of the virtual liver images using a five-point scale. The total score was 44 in two radiologists, and 42, 41, and 39 in one radiologist each. They evaluated that the textures of virtual liver were comparable to those of human liver. Our computer-simulated liver phantom is a promising tool for the evaluation of the image quality and diagnostic performance of hepatic CT imaging. (orig.)

  18. Computational fluid dynamics for sport simulation

    CERN Document Server

    2009-01-01

    All over the world sport plays a prominent role in society: as a leisure activity for many, as an ingredient of culture, as a business and as a matter of national prestige in such major events as the World Cup in soccer or the Olympic Games. Hence, it is not surprising that science has entered the realm of sports, and, in particular, that computer simulation has become highly relevant in recent years. This is explored in this book by choosing five different sports as examples, demonstrating that computational science and engineering (CSE) can make essential contributions to research on sports topics on both the fundamental level and, eventually, by supporting athletes’ performance.

  19. Molecular models of zinc phthalocyanines: semi-empirical molecular orbital computations and physicochemical properties studied by molecular mechanics simulations

    International Nuclear Information System (INIS)

    Gantchev, Tsvetan G.; van Lier, Johan E.; Hunting, Darel J.

    2005-01-01

    To build 3D-molecular models of Zinc-phthalocyanines (ZnPc) and to study their diverse chemical and photosensitization properties, we performed quantum mechanical molecular orbital (MO) semi-empirical (AM1) computations of the ground, excited singlet and triplet states as well as free radical (ionic) species. RHF and UHF (open shell) geometry optimizations led to near-perfect symmetrical ZnPc. Predicted ionization potentials (IP), electron affinities (EA) and lowest electronic transitions of ZnPc are in good agreement with the published experimental and theoretical data. The computation-derived D 4h /D 2h -symmetry 3D-structures of ground and excited states and free radicals of ZnPc, together with the frontier orbital energies and Mulliken electron population analysis enabled us to build robust molecular models. These models were used to predict important chemical-reactivity entities such as global electronegativity (χ), hardness (η) and local softness based on Fukui-functions analysis. Examples of molecular mechanics (MM) applications of the 3D-molecular models are presented as approaches to evaluate solvation free energy (ΔG 0 ) solv and to estimate ground- and excited- state oxidation/reduction potentials as well as intermolecular interactions and stability of ground and excited state dimers (exciplexes) and radical ion-pairs

  20. Computational plasticity algorithm for particle dynamics simulations

    Science.gov (United States)

    Krabbenhoft, K.; Lyamin, A. V.; Vignes, C.

    2018-01-01

    The problem of particle dynamics simulation is interpreted in the framework of computational plasticity leading to an algorithm which is mathematically indistinguishable from the common implicit scheme widely used in the finite element analysis of elastoplastic boundary value problems. This algorithm provides somewhat of a unification of two particle methods, the discrete element method and the contact dynamics method, which usually are thought of as being quite disparate. In particular, it is shown that the former appears as the special case where the time stepping is explicit while the use of implicit time stepping leads to the kind of schemes usually labelled contact dynamics methods. The framing of particle dynamics simulation within computational plasticity paves the way for new approaches similar (or identical) to those frequently employed in nonlinear finite element analysis. These include mixed implicit-explicit time stepping, dynamic relaxation and domain decomposition schemes.

  1. Time reversibility, computer simulation, algorithms, chaos

    CERN Document Server

    Hoover, William Graham

    2012-01-01

    A small army of physicists, chemists, mathematicians, and engineers has joined forces to attack a classic problem, the "reversibility paradox", with modern tools. This book describes their work from the perspective of computer simulation, emphasizing the author's approach to the problem of understanding the compatibility, and even inevitability, of the irreversible second law of thermodynamics with an underlying time-reversible mechanics. Computer simulation has made it possible to probe reversibility from a variety of directions and "chaos theory" or "nonlinear dynamics" has supplied a useful vocabulary and a set of concepts, which allow a fuller explanation of irreversibility than that available to Boltzmann or to Green, Kubo and Onsager. Clear illustration of concepts is emphasized throughout, and reinforced with a glossary of technical terms from the specialized fields which have been combined here to focus on a common theme. The book begins with a discussion, contrasting the idealized reversibility of ba...

  2. Computer simulation of displacement cascades in copper

    International Nuclear Information System (INIS)

    Heinisch, H.L.

    1983-06-01

    More than 500 displacement cascades in copper have been generated with the computer simulation code MARLOWE over an energy range pertinent to both fission and fusion neutron spectra. Three-dimensional graphical depictions of selected cascades, as well as quantitative analysis of cascade shapes and sizes and defect densities, illustrate cascade behavior as a function of energy. With increasing energy, the transition from production of single compact damage regions to widely spaced multiple damage regions is clearly demonstrated

  3. Computer Simulation of Multidimensional Archaeological Artefacts

    Directory of Open Access Journals (Sweden)

    Vera Moitinho de Almeida

    2012-11-01

    Our project focuses on the Neolithic lakeside site of La Draga (Banyoles, Catalonia. In this presentation we will begin by providing a clear overview of the major guidelines used to capture and process 3D digital data of several wooden artefacts. Then, we shall present the use of semi-automated relevant feature extractions. Finally, we intend to share preliminary computer simulation issues.

  4. Cluster designs to assess the prevalence of acute malnutrition by lot quality assurance sampling: a validation study by computer simulation.

    Science.gov (United States)

    Olives, Casey; Pagano, Marcello; Deitchler, Megan; Hedt, Bethany L; Egge, Kari; Valadez, Joseph J

    2009-04-01

    Traditional lot quality assurance sampling (LQAS) methods require simple random sampling to guarantee valid results. However, cluster sampling has been proposed to reduce the number of random starting points. This study uses simulations to examine the classification error of two such designs, a 67x3 (67 clusters of three observations) and a 33x6 (33 clusters of six observations) sampling scheme to assess the prevalence of global acute malnutrition (GAM). Further, we explore the use of a 67x3 sequential sampling scheme for LQAS classification of GAM prevalence. Results indicate that, for independent clusters with moderate intracluster correlation for the GAM outcome, the three sampling designs maintain approximate validity for LQAS analysis. Sequential sampling can substantially reduce the average sample size that is required for data collection. The presence of intercluster correlation can impact dramatically the classification error that is associated with LQAS analysis.

  5. Accelerating Climate Simulations Through Hybrid Computing

    Science.gov (United States)

    Zhou, Shujia; Sinno, Scott; Cruz, Carlos; Purcell, Mark

    2009-01-01

    Unconventional multi-core processors (e.g., IBM Cell B/E and NYIDIDA GPU) have emerged as accelerators in climate simulation. However, climate models typically run on parallel computers with conventional processors (e.g., Intel and AMD) using MPI. Connecting accelerators to this architecture efficiently and easily becomes a critical issue. When using MPI for connection, we identified two challenges: (1) identical MPI implementation is required in both systems, and; (2) existing MPI code must be modified to accommodate the accelerators. In response, we have extended and deployed IBM Dynamic Application Virtualization (DAV) in a hybrid computing prototype system (one blade with two Intel quad-core processors, two IBM QS22 Cell blades, connected with Infiniband), allowing for seamlessly offloading compute-intensive functions to remote, heterogeneous accelerators in a scalable, load-balanced manner. Currently, a climate solar radiation model running with multiple MPI processes has been offloaded to multiple Cell blades with approx.10% network overhead.

  6. Computer simulation of high energy displacement cascades

    International Nuclear Information System (INIS)

    Heinisch, H.L.

    1990-01-01

    A methodology developed for modeling many aspects of high energy displacement cascades with molecular level computer simulations is reviewed. The initial damage state is modeled in the binary collision approximation (using the MARLOWE computer code), and the subsequent disposition of the defects within a cascade is modeled with a Monte Carlo annealing simulation (the ALSOME code). There are few adjustable parameters, and none are set to physically unreasonable values. The basic configurations of the simulated high energy cascades in copper, i.e., the number, size and shape of damage regions, compare well with observations, as do the measured numbers of residual defects and the fractions of freely migrating defects. The success of these simulations is somewhat remarkable, given the relatively simple models of defects and their interactions that are employed. The reason for this success is that the behavior of the defects is very strongly influenced by their initial spatial distributions, which the binary collision approximation adequately models. The MARLOWE/ALSOME system, with input from molecular dynamics and experiments, provides a framework for investigating the influence of high energy cascades on microstructure evolution. (author)

  7. Computer simulation for sodium-concrete reactions

    International Nuclear Information System (INIS)

    Zhang Bin; Zhu Jizhou

    2006-01-01

    In the liquid metal cooled fast breeder reactors (LMFBRs), direct contacts between sodium and concrete is unavoidable. Due to sodium's high chemical reactivity, sodium would react with concrete violently. Lots of hydrogen gas and heat would be released then. This would harm the ignorantly of the containment. This paper developed a program to simualte sodium-conrete reactions across-the-board. It could give the reaction zone temperature, pool temperature, penetration depth, penetration rate, hydrogen flux and reaction heat and so on. Concrete was considered to be composed of silica and water only in this paper. The variable, the quitient of sodium hydroxide, was introduced in the continuity equation to simulate the chemical reactions more realistically. The product of the net gas flux and boundary depth was ably transformed to that of penetration rate and boundary depth. The complex chemical kinetics equations was simplified under some hypothesises. All the technique applied above simplified the computer simulation consumedly. In other words, they made the computer simulation feasible. Theoretics models that applied in the program and the calculation procedure were expatiated in detail. Good agreements of an overall transient behavior were obtained in the series of sodium-concrete reaction experiment analysis. The comparison between the analytical and experimental results showed the program presented in this paper was creditable and reasonable for simulating the sodium-concrete reactions. This program could be used for nuclear safety judgement. (authors)

  8. Computational study of molecular electrostatic potential, docking and dynamics simulations of gallic acid derivatives as ABL inhibitors.

    Science.gov (United States)

    Raghi, K R; Sherin, D R; Saumya, M J; Arun, P S; Sobha, V N; Manojkumar, T K

    2018-04-05

    Chronic myeloid leukemia (CML), a hematological malignancy arises due to the spontaneous fusion of the BCR and ABL gene, resulting in a constitutively active tyrosine kinase (BCR-ABL). Pharmacological activity of Gallic acid and 1,3,4-Oxadiazole as potential inhibitors of ABL kinase has already been reported. Objective of this study is to evaluate the ABL kinase inhibitory activity of derivatives of Gallic acid fused with 1,3,4-Oxadiazole moieties. Attempts have been made to identify the key structural features responsible for drug likeness of the Gallic acid and the 1,3,4-Oxadiazole ring using molecular electrostatic potential maps (MESP). To investigate the inhibitory activity of Gallic acid derivatives towards the ABL receptor, we have applied molecular docking and molecular dynamics (MD) simulation approaches. A comparative study was performed using Bosutinib as the standard which is an approved CML drug acting on the same receptor. Furthermore, the novel compounds designed and reported here in were evaluated for ADME properties and the results indicate that they show acceptable pharmacokinetic properties. Accordingly these compounds are predicted to be drug like with low toxicity potential. Copyright © 2018 Elsevier Ltd. All rights reserved.

  9. HTTR plant dynamic simulation using a hybrid computer

    International Nuclear Information System (INIS)

    Shimazaki, Junya; Suzuki, Katsuo; Nabeshima, Kunihiko; Watanabe, Koichi; Shinohara, Yoshikuni; Nakagawa, Shigeaki.

    1990-01-01

    A plant dynamic simulation of High-Temperature Engineering Test Reactor has been made using a new-type hybrid computer. This report describes a dynamic simulation model of HTTR, a hybrid simulation method for SIMSTAR and some results obtained from dynamics analysis of HTTR simulation. It concludes that the hybrid plant simulation is useful for on-line simulation on account of its capability of computation at high speed, compared with that of all digital computer simulation. With sufficient accuracy, 40 times faster computation than real time was reached only by changing an analog time scale for HTTR simulation. (author)

  10. A computer code to simulate X-ray imaging techniques

    International Nuclear Information System (INIS)

    Duvauchelle, Philippe; Freud, Nicolas; Kaftandjian, Valerie; Babot, Daniel

    2000-01-01

    A computer code was developed to simulate the operation of radiographic, radioscopic or tomographic devices. The simulation is based on ray-tracing techniques and on the X-ray attenuation law. The use of computer-aided drawing (CAD) models enables simulations to be carried out with complex three-dimensional (3D) objects and the geometry of every component of the imaging chain, from the source to the detector, can be defined. Geometric unsharpness, for example, can be easily taken into account, even in complex configurations. Automatic translations or rotations of the object can be performed to simulate radioscopic or tomographic image acquisition. Simulations can be carried out with monochromatic or polychromatic beam spectra. This feature enables, for example, the beam hardening phenomenon to be dealt with or dual energy imaging techniques to be studied. The simulation principle is completely deterministic and consequently the computed images present no photon noise. Nevertheless, the variance of the signal associated with each pixel of the detector can be determined, which enables contrast-to-noise ratio (CNR) maps to be computed, in order to predict quantitatively the detectability of defects in the inspected object. The CNR is a relevant indicator for optimizing the experimental parameters. This paper provides several examples of simulated images that illustrate some of the rich possibilities offered by our software. Depending on the simulation type, the computation time order of magnitude can vary from 0.1 s (simple radiographic projection) up to several hours (3D tomography) on a PC, with a 400 MHz microprocessor. Our simulation tool proves to be useful in developing new specific applications, in choosing the most suitable components when designing a new testing chain, and in saving time by reducing the number of experimental tests

  11. A computer code to simulate X-ray imaging techniques

    Energy Technology Data Exchange (ETDEWEB)

    Duvauchelle, Philippe E-mail: philippe.duvauchelle@insa-lyon.fr; Freud, Nicolas; Kaftandjian, Valerie; Babot, Daniel

    2000-09-01

    A computer code was developed to simulate the operation of radiographic, radioscopic or tomographic devices. The simulation is based on ray-tracing techniques and on the X-ray attenuation law. The use of computer-aided drawing (CAD) models enables simulations to be carried out with complex three-dimensional (3D) objects and the geometry of every component of the imaging chain, from the source to the detector, can be defined. Geometric unsharpness, for example, can be easily taken into account, even in complex configurations. Automatic translations or rotations of the object can be performed to simulate radioscopic or tomographic image acquisition. Simulations can be carried out with monochromatic or polychromatic beam spectra. This feature enables, for example, the beam hardening phenomenon to be dealt with or dual energy imaging techniques to be studied. The simulation principle is completely deterministic and consequently the computed images present no photon noise. Nevertheless, the variance of the signal associated with each pixel of the detector can be determined, which enables contrast-to-noise ratio (CNR) maps to be computed, in order to predict quantitatively the detectability of defects in the inspected object. The CNR is a relevant indicator for optimizing the experimental parameters. This paper provides several examples of simulated images that illustrate some of the rich possibilities offered by our software. Depending on the simulation type, the computation time order of magnitude can vary from 0.1 s (simple radiographic projection) up to several hours (3D tomography) on a PC, with a 400 MHz microprocessor. Our simulation tool proves to be useful in developing new specific applications, in choosing the most suitable components when designing a new testing chain, and in saving time by reducing the number of experimental tests.

  12. Autonomous Micro-Modular Mobile Data Center Cloud Computing Study for Modeling, Simulation, Information Processing and Cyber-Security Viability

    Data.gov (United States)

    National Aeronautics and Space Administration — Cloud computing environments offer opportunities for malicious users to penetrate security layers and damage, destroy or steal data. This ability can be exploited to...

  13. Computer simulation study of in-zeolites templated carbon replicas: structural and adsorption properties for hydrogen storage application

    International Nuclear Information System (INIS)

    Roussel, T.

    2007-05-01

    Hydrogen storage is the key issue to envisage this gas for instance as an energy vector in the field of transportation. Porous carbons are materials that are considered as possible candidates. We have studied well-controlled microporous carbon nano-structures, carbonaceous replicas of meso-porous ordered silica materials and zeolites. We realized numerically (using Grand Canonical Monte Carlo Simulations, GCMC) the atomic nano-structures of the carbon replication of four zeolites: AlPO 4 -5, silicalite-1, and Faujasite (FAU and EMT). The faujasite replicas allow nano-casting of a new form of carbon crystalline solid made of tetrahedrally or hexagonally interconnected single wall nano-tubes. The pore size networks are nano-metric giving these materials optimized hydrogen molecular storage capacities (for pure carbon phases). However, we demonstrate that these new carbon forms are not interesting for room temperature efficient storage compared to the void space of a classical gas cylinder. We showed that doping with an alkaline element, such as lithium, one could store the same quantities at 350 bar compared to a classical tank at 700 bar. This result is a possible route to achieve interesting performances for on-board docking systems for instance. (author)

  14. Computer simulation of a 3-phase induction motor

    International Nuclear Information System (INIS)

    Memon, N.A.; Unsworth, P.J.

    2004-01-01

    Computer Simulation of a 3-phase squirrel-cage induction motor is presented in Microsoft QBASIC for understanding trends and various operational modes of an induction motor. Thyristor fed, phase controlled induction motor (three-wire) model has been simulated. In which voltage is applied to the motor stator winding through back-to-back connected thyristors as controlled switches in series with the stator. The simulated induction motor system opens up towards a wide range of investigation/analysis options for research and development work in the field. Key features of the simulation performed are highlighted for development of better understanding of the work done. Complete study of an Induction Motor, starting modes in terms the voltage/current, torque/speed characteristics and their graphical representation produced is presented. Ideal agreement of the simulation results with the notional outcome encourages users to go ahead for various hardware development projects based on the study through the simulation. (author)

  15. A study to investigate the performance of the Benfield-HiPure process of natural gas sweetening using computer simulations

    Science.gov (United States)

    Ochieng, Richard

    The removal of CO2 and H2S from natural gas is currently a global issue. Apart from meeting the customer's contract, pipeline, and LNG specifications; it is also a measure for reducing the global environmental emissions. The aim of this study is to investigate the performance of ADGAS' Train#3 plant through process simulations. ADGAS' Train#3 plant uses the Benfield HiPure design commissioned by Universal Oil Product (UOP Honeywell) in 1993. The Benfield HiPure process uses two independent but compatible circulating solutions in series to achieve high product purity in terms of acid gas concentrations that meet the LNG industry specifications. The ability to remove contaminants up to very low levels (1ppm H2S, 50ppm CO2 and 2ppm COS) makes the HiPure process an excellent choice for purifying natural gas for LNG requirement. At Das Island, ADGAS' Train#3 facility receives sour gas containing about 6-7 mole % acid gas content. This gas is first contacted with hot potassium carbonate (30wt% K2CO3) promoted with diethanolamine solution (3wt% DEA) followed by a contact with aqueous amine solution (20wt% DEA) alone as the second solvent. In this thesis, ADGAS Train#3 model was developed using the simulator tool ProMax®. Simulation outputs were found to match reasonably well the design and plant operating data. Based on the model predictions, the carbonate absorber seemed to be over designed with much of the acid gases being absorbed at the bottom of the packing. With the confidence that the model is a reliable replicate of the real plant facility, a parametric sensitivity analysis was carried out to develop a strategy of controlling operational uncertainties and enable plant optimization. The parametric sensitivity analysis showed that the liquid circulation rates, solvent concentrations, trim cooler temperatures, feed gas flow rate, and feed gas H2S/CO2 ratio have a considerable effect on the performance of the plant with respect to acid gas removal, gas production

  16. Computer simulation games in population and education.

    Science.gov (United States)

    Moreland, R S

    1988-01-01

    Computer-based simulation games are effective training tools that have several advantages. They enable players to learn in a nonthreatening manner and develop strategies to achieve goals in a dynamic environment. They also provide visual feedback on the effects of players' decisions, encourage players to explore and experiment with options before making final decisions, and develop players' skills in analysis, decision making, and cooperation. 2 games have been developed by the Research Triangle Institute for public-sector planning agencies interested in or dealing with developing countries. The UN Population and Development Game teaches players about the interaction between population variables and the national economy and how population policies complement other national policies, such as education. The BRIDGES Education Planning Game focuses on the effects education has on national policies. In both games, the computer simulates the reactions of a fictional country's socioeconomic system to players' decisions. Players can change decisions after seeing their effects on a computer screen and thus can improve their performance in achieving goals.

  17. Simulation and computation in health physics training

    International Nuclear Information System (INIS)

    Lakey, S.R.A.; Gibbs, D.C.C.; Marchant, C.P.

    1980-01-01

    The Royal Naval College has devised a number of computer aided learning programmes applicable to health physics which include radiation shield design and optimisation, environmental impact of a reactor accident, exposure levels produced by an inert radioactive gas cloud, and the prediction of radiation detector response in various radiation field conditions. Analogue computers are used on reduced or fast time scales because time dependent phenomenon are not always easily assimilated in real time. The build-up and decay of fission products, the dynamics of intake of radioactive material and reactor accident dynamics can be effectively simulated. It is essential to relate these simulations to real time and the College applies a research reactor and analytical phantom to this end. A special feature of the reactor is a chamber which can be supplied with Argon-41 from reactor exhaust gases to create a realistic gaseous contamination environment. Reactor accident situations are also taught by using role playing sequences carried out in real time in the emergency facilities associated with the research reactor. These facilities are outlined and the training technique illustrated with examples of the calculations and simulations. The training needs of the future are discussed, with emphasis on optimisation and cost-benefit analysis. (H.K.)

  18. Fluid dynamics theory, computation, and numerical simulation

    CERN Document Server

    Pozrikidis, C

    2017-01-01

    This book provides an accessible introduction to the basic theory of fluid mechanics and computational fluid dynamics (CFD) from a modern perspective that unifies theory and numerical computation. Methods of scientific computing are introduced alongside with theoretical analysis and MATLAB® codes are presented and discussed for a broad range of topics: from interfacial shapes in hydrostatics, to vortex dynamics, to viscous flow, to turbulent flow, to panel methods for flow past airfoils. The third edition includes new topics, additional examples, solved and unsolved problems, and revised images. It adds more computational algorithms and MATLAB programs. It also incorporates discussion of the latest version of the fluid dynamics software library FDLIB, which is freely available online. FDLIB offers an extensive range of computer codes that demonstrate the implementation of elementary and advanced algorithms and provide an invaluable resource for research, teaching, classroom instruction, and self-study. This ...

  19. Pedagogical Approaches to Teaching with Computer Simulations in Science Education

    NARCIS (Netherlands)

    Rutten, N.P.G.; van der Veen, Johan (CTIT); van Joolingen, Wouter; McBride, Ron; Searson, Michael

    2013-01-01

    For this study we interviewed 24 physics teachers about their opinions on teaching with computer simulations. The purpose of this study is to investigate whether it is possible to distinguish different types of teaching approaches. Our results indicate the existence of two types. The first type is

  20. Computational Studies of the Active and Inactive Regulatory Domains of Response Regulator PhoP Using Molecular Dynamics Simulations.

    Science.gov (United States)

    Qing, Xiao-Yu; Steenackers, Hans; Venken, Tom; De Maeyer, Marc; Voet, Arnout

    2017-11-01

    The response regulator PhoP is part of the PhoP/PhoQ two-component system, which is responsible for regulating the expression of multiple genes involved in controlling virulence, biofilm formation, and resistance to antimicrobial peptides. Therefore, modulating the transcriptional function of the PhoP protein is a promising strategy for developing new antimicrobial agents. There is evidence suggesting that phosphorylation-mediated dimerization in the regulatory domain of PhoP is essential for its transcriptional function. Disruption or stabilization of protein-protein interactions at the dimerization interface may inhibit or enhance the expression of PhoP-dependent genes. In this study, we performed molecular dynamics simulations on the active and inactive dimers and monomers of the PhoP regulatory domains, followed by pocket-detecting screenings and a quantitative hot-spot analysis in order to assess the druggability of the protein. Consistent with prior hypothesis, the calculation of the binding free energy shows that phosphorylation enhances dimerization of PhoP. Furthermore, we have identified two different putative binding sites at the dimerization active site (the α4-β5-α5 face) with energetic "hot-spot" areas, which could be used to search for modulators of protein-protein interactions. This study delivers insight into the dynamics and druggability of the dimerization interface of the PhoP regulatory domain, and may serve as a basis for the rational identification of new antimicrobial drugs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Parallelized computation for computer simulation of electrocardiograms using personal computers with multi-core CPU and general-purpose GPU.

    Science.gov (United States)

    Shen, Wenfeng; Wei, Daming; Xu, Weimin; Zhu, Xin; Yuan, Shizhong

    2010-10-01

    Biological computations like electrocardiological modelling and simulation usually require high-performance computing environments. This paper introduces an implementation of parallel computation for computer simulation of electrocardiograms (ECGs) in a personal computer environment with an Intel CPU of Core (TM) 2 Quad Q6600 and a GPU of Geforce 8800GT, with software support by OpenMP and CUDA. It was tested in three parallelization device setups: (a) a four-core CPU without a general-purpose GPU, (b) a general-purpose GPU plus 1 core of CPU, and (c) a four-core CPU plus a general-purpose GPU. To effectively take advantage of a multi-core CPU and a general-purpose GPU, an algorithm based on load-prediction dynamic scheduling was developed and applied to setting (c). In the simulation with 1600 time steps, the speedup of the parallel computation as compared to the serial computation was 3.9 in setting (a), 16.8 in setting (b), and 20.0 in setting (c). This study demonstrates that a current PC with a multi-core CPU and a general-purpose GPU provides a good environment for parallel computations in biological modelling and simulation studies. Copyright 2010 Elsevier Ireland Ltd. All rights reserved.

  2. Using EDUCache Simulator for the Computer Architecture and Organization Course

    Directory of Open Access Journals (Sweden)

    Sasko Ristov

    2013-07-01

    Full Text Available The computer architecture and organization course is essential in all computer science and engineering programs, and the most selected and liked elective course for related engineering disciplines. However, the attractiveness brings a new challenge, it requires a lot of effort by the instructor, to explain rather complicated concepts to beginners or to those who study related disciplines. The usage of visual simulators can improve both the teaching and learning processes. The overall goal is twofold: 1~to enable a visual environment to explain the basic concepts and 2~to increase the student's willingness and ability to learn the material.A lot of visual simulators have been used for the computer architecture and organization course. However, due to the lack of visual simulators for simulation of the cache memory concepts, we have developed a new visual simulator EDUCache simulator. In this paper we present that it can be effectively and efficiently used as a supporting tool in the learning process of modern multi-layer, multi-cache and multi-core multi-processors.EDUCache's features enable an environment for performance evaluation and engineering of software systems, i.e. the students will also understand the importance of computer architecture building parts and hopefully, will increase their curiosity for hardware courses in general.

  3. Simulation study on the operating characteristics of the heat pipe for combined evaporative cooling of computer room air-conditioning system

    International Nuclear Information System (INIS)

    Han, Zongwei; Zhang, Yanqing; Meng, Xin; Liu, Qiankun; Li, Weiliang; Han, Yu; Zhang, Yanhong

    2016-01-01

    In order to improve the energy efficiency of air conditioning systems in computer rooms, this paper proposed a new concept of integrating evaporative cooling air-conditioning system with heat pipes. Based on a computer room in Shenyang, China, a mathematical model was built to perform transient simulations of the new system. The annual dynamical performance of the new system was then compared with a typical conventional computer room air-conditioning system. The result showed that the new integrated air-conditioning system had better energy efficiency, i.e. 31.31% reduction in energy consumption and 29.49% increase in COP (coefficient of performance), due to the adoption of evaporative condenser and the separate type heat pipe technology. Further study also revealed that the incorporated heat pipes enabled a 36.88% of decrease in the operation duration of the vapor compressor, and a 53.86% of reduction for the activation times of the compressor, which could lead to a longer lifespan of the compressor. The new integrated evaporative cooling air-conditioning system was also tested in different climate regions. It showed that the energy saving of the new system was greatly affected by climate, and it had the best effect in cold and dry regions like Shenyang with up to 31.31% energy saving. In some warm and humid climate regions like Guangzhou, the energy saving could be achieved up to 13.66%. - Highlights: • A novel combined air-conditioning system of computer room is constructed. • The performance of the system and conventional system is simulated and compared. • The applicability of the system in different climate regions is investigated.

  4. Using computer simulations to facilitate conceptual understanding of electromagnetic induction

    Science.gov (United States)

    Lee, Yu-Fen

    This study investigated the use of computer simulations to facilitate conceptual understanding in physics. The use of computer simulations in the present study was grounded in a conceptual framework drawn from findings related to the use of computer simulations in physics education. To achieve the goal of effective utilization of computers for physics education, I first reviewed studies pertaining to computer simulations in physics education categorized by three different learning frameworks and studies comparing the effects of different simulation environments. My intent was to identify the learning context and factors for successful use of computer simulations in past studies and to learn from the studies which did not obtain a significant result. Based on the analysis of reviewed literature, I proposed effective approaches to integrate computer simulations in physics education. These approaches are consistent with well established education principles such as those suggested by How People Learn (Bransford, Brown, Cocking, Donovan, & Pellegrino, 2000). The research based approaches to integrated computer simulations in physics education form a learning framework called Concept Learning with Computer Simulations (CLCS) in the current study. The second component of this study was to examine the CLCS learning framework empirically. The participants were recruited from a public high school in Beijing, China. All participating students were randomly assigned to two groups, the experimental (CLCS) group and the control (TRAD) group. Research based computer simulations developed by the physics education research group at University of Colorado at Boulder were used to tackle common conceptual difficulties in learning electromagnetic induction. While interacting with computer simulations, CLCS students were asked to answer reflective questions designed to stimulate qualitative reasoning and explanation. After receiving model reasoning online, students were asked to submit

  5. Computer simulation of spacecraft/environment interaction

    International Nuclear Information System (INIS)

    Krupnikov, K.K.; Makletsov, A.A.; Mileev, V.N.; Novikov, L.S.; Sinolits, V.V.

    1999-01-01

    This report presents some examples of a computer simulation of spacecraft interaction with space environment. We analysed a set data on electron and ion fluxes measured in 1991-1994 on geostationary satellite GORIZONT-35. The influence of spacecraft eclipse and device eclipse by solar-cell panel on spacecraft charging was investigated. A simple method was developed for an estimation of spacecraft potentials in LEO. Effects of various particle flux impact and spacecraft orientation are discussed. A computer engineering model for a calculation of space radiation is presented. This model is used as a client/server model with WWW interface, including spacecraft model description and results representation based on the virtual reality markup language

  6. Computer simulation of spacecraft/environment interaction

    CERN Document Server

    Krupnikov, K K; Mileev, V N; Novikov, L S; Sinolits, V V

    1999-01-01

    This report presents some examples of a computer simulation of spacecraft interaction with space environment. We analysed a set data on electron and ion fluxes measured in 1991-1994 on geostationary satellite GORIZONT-35. The influence of spacecraft eclipse and device eclipse by solar-cell panel on spacecraft charging was investigated. A simple method was developed for an estimation of spacecraft potentials in LEO. Effects of various particle flux impact and spacecraft orientation are discussed. A computer engineering model for a calculation of space radiation is presented. This model is used as a client/server model with WWW interface, including spacecraft model description and results representation based on the virtual reality markup language.

  7. Surgical resource utilization in urban terrorist bombing: a computer simulation.

    Science.gov (United States)

    Hirshberg, A; Stein, M; Walden, R

    1999-09-01

    The objective of this study was to analyze the utilization of surgical staff and facilities during an urban terrorist bombing incident. A discrete-event computer model of the emergency room and related hospital facilities was constructed and implemented, based on cumulated data from 12 urban terrorist bombing incidents in Israel. The simulation predicts that the admitting capacity of the hospital depends primarily on the number of available surgeons and defines an optimal staff profile for surgeons, residents, and trauma nurses. The major bottlenecks in the flow of critical casualties are the shock rooms and the computed tomographic scanner but not the operating rooms. The simulation also defines the number of reinforcement staff needed to treat noncritical casualties and shows that radiology is the major obstacle to the flow of these patients. Computer simulation is an important new tool for the optimization of surgical service elements for a multiple-casualty situation.

  8. Computer Simulation of Multidimensional Archaeological Artefacts

    Directory of Open Access Journals (Sweden)

    Vera Moitinho de Almeida

    2013-11-01

    Full Text Available The main purpose of this ongoing research is to understand possible function(s of archaeological artefacts through Reverse Engineering processes. In addition, we intend to provide new data, as well as possible explications of the archaeological record according to what it expects about social activities and working processes, by simulating the potentialities of such actions in terms of input-output relationships. Our project focuses on the Neolithic lakeside site of La Draga (Banyoles, Catalonia. In this presentation we will begin by providing a clear overview of the major guidelines used to capture and process 3D digital data of several wooden artefacts. Then, we shall present the use of semi-automated relevant feature extractions. Finally, we intend to share preliminary computer simulation issues.

  9. Computational simulation of the blood separation process.

    Science.gov (United States)

    De Gruttola, Sandro; Boomsma, Kevin; Poulikakos, Dimos; Ventikos, Yiannis

    2005-08-01

    The aim of this work is to construct a computational fluid dynamics model capable of simulating the quasitransient process of apheresis. To this end a Lagrangian-Eulerian model has been developed which tracks the blood particles within a delineated two-dimensional flow domain. Within the Eulerian method, the fluid flow conservation equations within the separator are solved. Taking the calculated values of the flow field and using a Lagrangian method, the displacement of the blood particles is calculated. Thus, the local blood density within the separator at a given time step is known. Subsequently, the flow field in the separator is recalculated. This process continues until a quasisteady behavior is reached. The simulations show good agreement with experimental results. They shows a complete separation of plasma and red blood cells, as well as nearly complete separation of red blood cells and platelets. The white blood cells build clusters in the low concentrate cell bed.

  10. Computer simulations of phospholipid - membrane thermodynamic fluctuations

    DEFF Research Database (Denmark)

    Pedersen, U.R.; Peters, Günther H.j.; Schröder, T.B.

    2008-01-01

    This paper reports all-atom computer simulations of five phospholipid membranes, DMPC, DPPC, DMPG, DMPS, and DMPSH, with a focus on the thermal equilibrium fluctuations of volume, energy, area, thickness, and order parameter. For the slow fluctuations at constant temperature and pressure (defined...... membranes, showing a similar picture. The cause of the observed strong correlations is identified by splitting volume and energy into contributions from tails, heads, and water, showing that the slow volume-energy fluctuations derive from the tail region’s van der Waals interactions and are thus analogous...

  11. Computer simulation of replacement sequences in copper

    International Nuclear Information System (INIS)

    Schiffgens, J.O.; Schwartz, D.W.; Ariyasu, R.G.; Cascadden, S.E.

    1978-01-01

    Results of computer simulations of , , and replacement sequences in copper are presented, including displacement thresholds, focusing energies, energy losses per replacement, and replacement sequence lengths. These parameters are tabulated for six interatomic potentials and shown to vary in a systematic way with potential stiffness and range. Comparisons of results from calculations made with ADDES, a quasi-dynamical code, and COMENT, a dynamical code, show excellent agreement, demonstrating that the former can be calibrated and used satisfactorily in the analysis of low energy displacement cascades. Upper limits on , , and replacement sequences were found to be approximately 10, approximately 30, and approximately 14 replacements, respectively. (author)

  12. Evaluation of the impact of carotid artery bifurcation angle on hemodynamics by use of computational fluid dynamics: a simulation and volunteer study.

    Science.gov (United States)

    Saho, Tatsunori; Onishi, Hideo

    2016-07-01

    In this study, we evaluated the hemodynamics of carotid artery bifurcation with various geometries using simulated and volunteer models based on magnetic resonance imaging (MRI). Computational fluid dynamics (CFD) was analyzed by use of OpenFOAM. The velocity distribution, streamline, and wall shear stress (WSS) were evaluated in a simulated model with known bifurcation angles (30°, 40°, 50°, 60°, derived from patients' data) and in three-dimensional (3D) healthy volunteer models. Separated flow was observed at the outer side of the bifurcation, and large bifurcation models represented upstream transfer of the point. Local WSS values at the outer bifurcation [both simulated (100 Pa). The bifurcation angle had a significant negative correlation with the WSS value (p<0.05). The results of this study show that the carotid artery bifurcation angle is related to the WSS value. This suggests that hemodynamic stress can be estimated based on the carotid artery geometry. The construction of a clinical database for estimation of developing atherosclerosis is warranted.

  13. Computational simulation of concurrent engineering for aerospace propulsion systems

    Science.gov (United States)

    Chamis, C. C.; Singhal, S. N.

    1992-01-01

    Results are summarized of an investigation to assess the infrastructure available and the technology readiness in order to develop computational simulation methods/software for concurrent engineering. These results demonstrate that development of computational simulations methods for concurrent engineering is timely. Extensive infrastructure, in terms of multi-discipline simulation, component-specific simulation, system simulators, fabrication process simulation, and simulation of uncertainties - fundamental in developing such methods, is available. An approach is recommended which can be used to develop computational simulation methods for concurrent engineering for propulsion systems and systems in general. Benefits and facets needing early attention in the development are outlined.

  14. Computational simulation for concurrent engineering of aerospace propulsion systems

    Science.gov (United States)

    Chamis, C. C.; Singhal, S. N.

    1993-01-01

    Results are summarized for an investigation to assess the infrastructure available and the technology readiness in order to develop computational simulation methods/software for concurrent engineering. These results demonstrate that development of computational simulation methods for concurrent engineering is timely. Extensive infrastructure, in terms of multi-discipline simulation, component-specific simulation, system simulators, fabrication process simulation, and simulation of uncertainties--fundamental to develop such methods, is available. An approach is recommended which can be used to develop computational simulation methods for concurrent engineering of propulsion systems and systems in general. Benefits and issues needing early attention in the development are outlined.

  15. Large Atmospheric Computation on the Earth Simulator: The LACES Project

    Directory of Open Access Journals (Sweden)

    Michel Desgagné

    2006-01-01

    Full Text Available The Large Atmospheric Computation on the Earth Simulator (LACES project is a joint initiative between Canadian and Japanese meteorological services and academic institutions that focuses on the high resolution simulation of Hurricane Earl (1998. The unique aspect of this effort is the extent of the computational domain, which covers all of North America and Europe with a grid spacing of 1 km. The Canadian Mesoscale Compressible Community (MC2 model is shown to parallelize effectively on the Japanese Earth Simulator (ES supercomputer; however, even using the extensive computing resources of the ES Center (ESC, the full simulation for the majority of Hurricane Earl's lifecycle takes over eight days to perform and produces over 5.2 TB of raw data. Preliminary diagnostics show that the results of the LACES simulation for the tropical stage of Hurricane Earl's lifecycle compare well with available observations for the storm. Further studies involving advanced diagnostics have commenced, taking advantage of the uniquely large spatial extent of the high resolution LACES simulation to investigate multiscale interactions in the hurricane and its environment. It is hoped that these studies will enhance our understanding of processes occurring within the hurricane and between the hurricane and its planetary-scale environment.

  16. A Computational Framework for Bioimaging Simulation

    Science.gov (United States)

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

    2015-01-01

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

  17. Computer simulations for the nano-scale

    International Nuclear Information System (INIS)

    Stich, I.

    2007-01-01

    A review of methods for computations for the nano-scale is presented. The paper should provide a convenient starting point into computations for the nano-scale as well as a more in depth presentation for those already working in the field of atomic/molecular-scale modeling. The argument is divided in chapters covering the methods for description of the (i) electrons, (ii) ions, and (iii) techniques for efficient solving of the underlying equations. A fairly broad view is taken covering the Hartree-Fock approximation, density functional techniques and quantum Monte-Carlo techniques for electrons. The customary quantum chemistry methods, such as post Hartree-Fock techniques, are only briefly mentioned. Description of both classical and quantum ions is presented. The techniques cover Ehrenfest, Born-Oppenheimer, and Car-Parrinello dynamics. The strong and weak points of both principal and technical nature are analyzed. In the second part we introduce a number of applications to demonstrate the different approximations and techniques introduced in the first part. They cover a wide range of applications such as non-simple liquids, surfaces, molecule-surface interactions, applications in nano technology, etc. These more in depth presentations, while certainly not exhaustive, should provide information on technical aspects of the simulations, typical parameters used, and ways of analysis of the huge amounts of data generated in these large-scale supercomputer simulations. (author)

  18. Reproducibility in Computational Neuroscience Models and Simulations

    Science.gov (United States)

    McDougal, Robert A.; Bulanova, Anna S.; Lytton, William W.

    2016-01-01

    Objective Like all scientific research, computational neuroscience research must be reproducible. Big data science, including simulation research, cannot depend exclusively on journal articles as the method to provide the sharing and transparency required for reproducibility. Methods Ensuring model reproducibility requires the use of multiple standard software practices and tools, including version control, strong commenting and documentation, and code modularity. Results Building on these standard practices, model sharing sites and tools have been developed that fit into several categories: 1. standardized neural simulators, 2. shared computational resources, 3. declarative model descriptors, ontologies and standardized annotations; 4. model sharing repositories and sharing standards. Conclusion A number of complementary innovations have been proposed to enhance sharing, transparency and reproducibility. The individual user can be encouraged to make use of version control, commenting, documentation and modularity in development of models. The community can help by requiring model sharing as a condition of publication and funding. Significance Model management will become increasingly important as multiscale models become larger, more detailed and correspondingly more difficult to manage by any single investigator or single laboratory. Additional big data management complexity will come as the models become more useful in interpreting experiments, thus increasing the need to ensure clear alignment between modeling data, both parameters and results, and experiment. PMID:27046845

  19. A Computational Framework for Bioimaging Simulation.

    Science.gov (United States)

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

    2015-01-01

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

  20. A Computational Framework for Bioimaging Simulation.

    Directory of Open Access Journals (Sweden)

    Masaki Watabe

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

  1. Student generated assignments about electrical circuits in a computer simulation

    NARCIS (Netherlands)

    Vreman-de Olde, Cornelise; de Jong, Anthonius J.M.

    2004-01-01

    In this study we investigated the design of assignments by students as a knowledge-generating activity. Students were required to design assignments for 'other students' in a computer simulation environment about electrical circuits. Assignments consisted of a question, alternatives, and feedback on

  2. Advanced Simulation and Computing FY17 Implementation Plan, Version 0

    Energy Technology Data Exchange (ETDEWEB)

    McCoy, Michel [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Archer, Bill [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hendrickson, Bruce [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Wade, Doug [National Nuclear Security Administration (NNSA), Washington, DC (United States). Office of Advanced Simulation and Computing and Institutional Research and Development; Hoang, Thuc [National Nuclear Security Administration (NNSA), Washington, DC (United States). Computational Systems and Software Environment

    2016-08-29

    The Stockpile Stewardship Program (SSP) is an integrated technical program for maintaining the safety, surety, and reliability of the U.S. nuclear stockpile. The SSP uses nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. It includes stockpile surveillance, experimental research, development and engineering programs, and an appropriately scaled production capability to support stockpile requirements. This integrated national program requires the continued use of experimental facilities and programs, and the computational capabilities to support these programs. The Advanced Simulation and Computing Program (ASC) is a cornerstone of the SSP, providing simulation capabilities and computational resources that support annual stockpile assessment and certification, study advanced nuclear weapons design and manufacturing processes, analyze accident scenarios and weapons aging, and provide the tools to enable stockpile Life Extension Programs (LEPs) and the resolution of Significant Finding Investigations (SFIs). This requires a balance of resource, including technical staff, hardware, simulation software, and computer science solutions. ASC is now focused on increasing predictive capabilities in a three-dimensional (3D) simulation environment while maintaining support to the SSP. The program continues to improve its unique tools for solving progressively more difficult stockpile problems (sufficient resolution, dimensionality, and scientific details), and quantifying critical margins and uncertainties. Resolving each issue requires increasingly difficult analyses because the aging process has progressively moved the stockpile further away from the original test base. Where possible, the program also enables the use of high performance computing (HPC) and simulation tools to address broader national security needs, such as foreign nuclear weapon assessments and counter nuclear terrorism.

  3. Computational study of the activity, dynamics, energetics and conformations of insulin analogues using molecular dynamics simulations: Application to hyperinsulinemia and the critical residue B26

    Directory of Open Access Journals (Sweden)

    Anastasios Papaioannou

    2017-09-01

    Full Text Available Due to the increasing prevalence of diabetes, finding therapeutic analogues for insulin has become an urgent issue. While many experimental studies have been performed towards this end, they have limited scope to examine all aspects of the effect of a mutation. Computational studies can help to overcome these limitations, however, relatively few studies that focus on insulin analogues have been performed to date. Here, we present a comprehensive computational study of insulin analogues—three mutant insulins that have been identified with hyperinsulinemia and three mutations on the critical B26 residue that exhibit similar binding affinity to the insulin receptor—using molecular dynamics simulations with the aim of predicting how mutations of insulin affect its activity, dynamics, energetics and conformations. The time evolution of the conformers is studied in long simulations. The probability density function and potential of mean force calculations are performed on each insulin analogue to unravel the effect of mutations on the dynamics and energetics of insulin activation. Our conformational study can decrypt the key features and molecular mechanisms that are responsible for an enhanced or reduced activity of an insulin analogue. We find two key results: 1 hyperinsulinemia may be due to the drastically reduced activity (and binding affinity of the mutant insulins. 2 Y26BS and Y26BE are promising therapeutic candidates for insulin as they are more active than WT-insulin. The analysis in this work can be readily applied to any set of mutations on insulin to guide development of more effective therapeutic analogues.

  4. An introduction to statistical computing a simulation-based approach

    CERN Document Server

    Voss, Jochen

    2014-01-01

    A comprehensive introduction to sampling-based methods in statistical computing The use of computers in mathematics and statistics has opened up a wide range of techniques for studying otherwise intractable problems.  Sampling-based simulation techniques are now an invaluable tool for exploring statistical models.  This book gives a comprehensive introduction to the exciting area of sampling-based methods. An Introduction to Statistical Computing introduces the classical topics of random number generation and Monte Carlo methods.  It also includes some advanced met

  5. Computer Simulation of Developmental Processes and ...

    Science.gov (United States)

    Rationale: Recent progress in systems toxicology and synthetic biology have paved the way to new thinking about in vitro/in silico modeling of developmental processes and toxicities, both for embryological and reproductive impacts. Novel in vitro platforms such as 3D organotypic culture models, engineered microscale tissues and complex microphysiological systems (MPS), together with computational models and computer simulation of tissue dynamics, lend themselves to a integrated testing strategies for predictive toxicology. As these emergent methodologies continue to evolve, they must be integrally tied to maternal/fetal physiology and toxicity of the developing individual across early lifestage transitions, from fertilization to birth, through puberty and beyond. Scope: This symposium will focus on how the novel technology platforms can help now and in the future, with in vitro/in silico modeling of complex biological systems for developmental and reproductive toxicity issues, and translating systems models into integrative testing strategies. The symposium is based on three main organizing principles: (1) that novel in vitro platforms with human cells configured in nascent tissue architectures with a native microphysiological environments yield mechanistic understanding of developmental and reproductive impacts of drug/chemical exposures; (2) that novel in silico platforms with high-throughput screening (HTS) data, biologically-inspired computational models of

  6. A computer-simulation study on the effects of MRI voxel dimensions on carotid plaque lipid-core and fibrous cap segmentation and stress modeling.

    Directory of Open Access Journals (Sweden)

    Harm A Nieuwstadt

    Full Text Available The benefits of a decreased slice thickness and/or in-plane voxel size in carotid MRI for atherosclerotic plaque component quantification accuracy and biomechanical peak cap stress analysis have not yet been investigated in detail because of practical limitations.In order to provide a methodology that allows such an investigation in detail, numerical simulations of a T1-weighted, contrast-enhanced, 2D MRI sequence were employed. Both the slice thickness (2 mm, 1 mm, and 0.5 mm and the in plane acquired voxel size (0.62x0.62 mm2 and 0.31x0.31 mm2 were varied. This virtual MRI approach was applied to 8 histology-based 3D patient carotid atherosclerotic plaque models.A decreased slice thickness did not result in major improvements in lumen, vessel wall, and lipid-rich necrotic core size measurements. At 0.62x0.62 mm2 in-plane, only a 0.5 mm slice thickness resulted in improved minimum fibrous cap thickness measurements (a 2-3 fold reduction in measurement error and only marginally improved peak cap stress computations. Acquiring voxels of 0.31x0.31 mm2 in-plane, however, led to either similar or significantly larger improvements in plaque component quantification and computed peak cap stress.This study provides evidence that for currently-used 2D carotid MRI protocols, a decreased slice thickness might not be more beneficial for plaque measurement accuracy than a decreased in-plane voxel size. The MRI simulations performed indicate that not a reduced slice thickness (i.e. more isotropic imaging, but the acquisition of anisotropic voxels with a relatively smaller in-plane voxel size could improve carotid plaque quantification and computed peak cap stress accuracy.

  7. A Computer Simulation of Auroral Arc Formation.

    Science.gov (United States)

    Wagner, John Scott

    Recent satellite measurements have revealed two intriguing features associated with the formation of auroral arcs. The first is that an auroral arc is produced by a sheet of electrons accelerated along a geomagnetic field -aligned potential drop, and the second is that these electrons carry a field-aligned, upward directed electric current. In order to explain these measurements, a self-consistent, time dependent, computer simulation of auroral arc formation has been developed. The simulation demonstrates for the first time that a stable V-shaped potential structure, called an auroral double layer, develops spontaneously as a result of an ion shielded electron current sheet interacting with a conducting ionosphere. The double layer accelerates current-carrying electrons into the upper atmosphere at auroral energies. The double layer potential depends critically on the drift speed of the current-carrying electrons and on the temperature of the ambient shielding ions. Localized double layers occur near the ionosphere when the geomagnetic field is assumed to be uniform, but when a converging magnetic field is introduced, the double layer becomes extended due to the presence of an additional population of electrons trapped between the magnetic mirror and the double layer potential. The simulated auroral current sheet is subject to auroral curl and fold type deformations due to unstable Kelvin-Helmholtz waves. The previous incompletely understood auroral fold producing mechanism is described.

  8. Computer Simulation of the UMER Gridded Gun

    CERN Document Server

    Haber, Irving; Friedman, Alex; Grote, D P; Kishek, Rami A; Reiser, Martin; Vay, Jean-Luc; Zou, Yun

    2005-01-01

    The electron source in the University of Maryland Electron Ring (UMER) injector employs a grid 0.15 mm from the cathode to control the current waveform. Under nominal operating conditions, the grid voltage during the current pulse is sufficiently positive relative to the cathode potential to form a virtual cathode downstream of the grid. Three-dimensional computer simulations have been performed that use the mesh refinement capability of the WARP particle-in-cell code to examine a small region near the beam center in order to illustrate some of the complexity that can result from such a gridded structure. These simulations have been found to reproduce the hollowed velocity space that is observed experimentally. The simulations also predict a complicated time-dependent response to the waveform applied to the grid during the current turn-on. This complex temporal behavior appears to result directly from the dynamics of the virtual cathode formation and may therefore be representative of the expected behavior in...

  9. Study of Neutron Induced Effects in Nuclear Materials by Computer Simulation: Ultra-Fast Solidification at the Nanoscopic Scale

    International Nuclear Information System (INIS)

    Lopasso, Edmundo

    2003-01-01

    In the present study we analyze some of the aspects on the primary damage induced by radiation in metals, specially Fe based alloys with low Cu content used in nuclear reactors.Atomic scale simulations with Molecular Dynamics and Monte Carlo methods were applied on the basis of interatomic potentials available in the literature. The Fe-Cu phase diagram was evaluated in the whole compositional range, and the phase and solubility limits as predicted by the model interactions were determined.Results, as compared to experimental findings, suggest that a better description of the potentials of the elements is needed, and that the description of the relative solubility of the solid phases should be included in the potentials.Even under these limitations, the solid-liquid phase limits in the Fe rich region are correctly represented, and the results are used to interpret the behaviour of Cu as solute in Fe during the cooling of displacement cascades.The analysis was performed with the aid of the results on the Ni-Au system, whose thermodynamic and solute transport properties are correctly described by interatomic potentials.This allowed us to separate the relative effects of thermal gradients and phase diagram characteristics on the solute redistribution.From the results on the Ni-Au system and dilute alloys of Cu in Fe, it is concluded that thermal gradients have an influence on solute redistribution, which migrate to the high temperature regions if the solute mass is lower than the solvent mass, while the opposite occurs if the solute mass is higher than the solvent one.This effect is known as thermomigration, and acts during the cooling down after the interaction of radiation with matter depending on the characteristic property known as heat of transport.By comparing different cooling rates in Ni-5%Au it is concluded that the phase diagram will have an effect on solute redistribution if the equilibrium partition ratio between the solidus and liquidus lines is low enough

  10. Product Costing in FMT: Comparing Deterministic and Stochastic Models Using Computer-Based Simulation for an Actual Case Study

    DEFF Research Database (Denmark)

    Nielsen, Steen

    2000-01-01

    This paper expands the traditional product costing technique be including a stochastic form in a complex production process for product costing. The stochastic phenomenon in flesbile manufacturing technologies is seen as an important phenomenon that companies try to decreas og eliminate. DFM has...... been used for evaluating the appropriateness of the firm's production capability. In this paper a simulation model is developed to analyze the relevant cost behaviour with respect to DFM and to develop a more streamlined process in the layout of the manufacturing process....

  11. Dependence of light scattering profile in tissue on blood vessel diameter and distribution: a computer simulation study.

    Science.gov (United States)

    Duadi, Hamootal; Fixler, Dror; Popovtzer, Rachela

    2013-11-01

    Most methods for measuring light-tissue interactions focus on the volume reflectance while very few measure the transmission. We investigate both diffusion reflection and diffuse transmission at all exit angles to receive the full scattering profile. We also investigate the influence of blood vessel diameter on the scattering profile of a circular tissue. The photon propagation path at a wavelength of 850 nm is calculated from the absorption and scattering constants via Monte Carlo simulation. Several simulations are performed where a different vessel diameter and location were chosen but the blood volume was kept constant. The fraction of photons exiting the tissue at several central angles is presented for each vessel diameter. The main result is that there is a central angle that below which the photon transmission decreased for lower vessel diameters while above this angle the opposite occurred. We find this central angle to be 135 deg for a two-dimensional 10-mm diameter circular tissue cross-section containing blood vessels. These findings can be useful for monitoring blood perfusion and oxygen delivery in the ear lobe and pinched tissues. © 2013 Society of Photo-Optical Instrumentation Engineers (SPIE)

  12. Computer-simulation study of a disordered classical spin system in one dimension with long-range anisotropic ferromagnetic interactions

    Science.gov (United States)

    Romano, S.

    1992-01-01

    The present paper considers a classical system, consisting of n-component unit vectors (n=2 or 3), associated with a one-dimensional lattice \\{uk||k∈openZ\\}, and interacting via a translationally invariant pair potential of the long-range, ferromagnetic and anisotropic form W=Wjk=-ɛ||j-k||-2(auj,nuk,n +b tsumλuk,λ denotes the Cartesian components of the unit vectors. According to the available rigorous results, the system disorders at all finite temperatures when a=b, or n=3, a=0, and possesses an ordering transition at finite temperature when b=0. Approximate arguments and simulation results suggest that the isotropic models (a=b) produce a transition to a low-temperature phase with infinite susceptibility and power-law decay of the correlation function. If this is true, the available correlation inequalities entail that it also happens in the anisotropic but O(2)-invariant case n=3, b=0. We report here Monte Carlo calculations for this latter potential model; simulation results were found to be consistent with this conjecture, and to suggest that T*c=0.65+/-0.01.

  13. The advanced computational testing and simulation toolkit (ACTS)

    International Nuclear Information System (INIS)

    Drummond, L.A.; Marques, O.

    2002-01-01

    During the past decades there has been a continuous growth in the number of physical and societal problems that have been successfully studied and solved by means of computational modeling and simulation. Distinctively, a number of these are important scientific problems ranging in scale from the atomic to the cosmic. For example, ionization is a phenomenon as ubiquitous in modern society as the glow of fluorescent lights and the etching on silicon computer chips; but it was not until 1999 that researchers finally achieved a complete numerical solution to the simplest example of ionization, the collision of a hydrogen atom with an electron. On the opposite scale, cosmologists have long wondered whether the expansion of the Universe, which began with the Big Bang, would ever reverse itself, ending the Universe in a Big Crunch. In 2000, analysis of new measurements of the cosmic microwave background radiation showed that the geometry of the Universe is flat, and thus the Universe will continue expanding forever. Both of these discoveries depended on high performance computer simulations that utilized computational tools included in the Advanced Computational Testing and Simulation (ACTS) Toolkit. The ACTS Toolkit is an umbrella project that brought together a number of general purpose computational tool development projects funded and supported by the U.S. Department of Energy (DOE). These tools, which have been developed independently, mainly at DOE laboratories, make it easier for scientific code developers to write high performance applications for parallel computers. They tackle a number of computational issues that are common to a large number of scientific applications, mainly implementation of numerical algorithms, and support for code development, execution and optimization. The ACTS Toolkit Project enables the use of these tools by a much wider community of computational scientists, and promotes code portability, reusability, reduction of duplicate efforts

  14. The advanced computational testing and simulation toolkit (ACTS)

    Energy Technology Data Exchange (ETDEWEB)

    Drummond, L.A.; Marques, O.

    2002-05-21

    During the past decades there has been a continuous growth in the number of physical and societal problems that have been successfully studied and solved by means of computational modeling and simulation. Distinctively, a number of these are important scientific problems ranging in scale from the atomic to the cosmic. For example, ionization is a phenomenon as ubiquitous in modern society as the glow of fluorescent lights and the etching on silicon computer chips; but it was not until 1999 that researchers finally achieved a complete numerical solution to the simplest example of ionization, the collision of a hydrogen atom with an electron. On the opposite scale, cosmologists have long wondered whether the expansion of the Universe, which began with the Big Bang, would ever reverse itself, ending the Universe in a Big Crunch. In 2000, analysis of new measurements of the cosmic microwave background radiation showed that the geometry of the Universe is flat, and thus the Universe will continue expanding forever. Both of these discoveries depended on high performance computer simulations that utilized computational tools included in the Advanced Computational Testing and Simulation (ACTS) Toolkit. The ACTS Toolkit is an umbrella project that brought together a number of general purpose computational tool development projects funded and supported by the U.S. Department of Energy (DOE). These tools, which have been developed independently, mainly at DOE laboratories, make it easier for scientific code developers to write high performance applications for parallel computers. They tackle a number of computational issues that are common to a large number of scientific applications, mainly implementation of numerical algorithms, and support for code development, execution and optimization. The ACTS Toolkit Project enables the use of these tools by a much wider community of computational scientists, and promotes code portability, reusability, reduction of duplicate efforts

  15. Cluster computing for lattice QCD simulations

    International Nuclear Information System (INIS)

    Coddington, P.D.; Williams, A.G.

    2000-01-01

    Full text: Simulations of lattice quantum chromodynamics (QCD) require enormous amounts of compute power. In the past, this has usually involved sharing time on large, expensive machines at supercomputing centres. Over the past few years, clusters of networked computers have become very popular as a low-cost alternative to traditional supercomputers. The dramatic improvements in performance (and more importantly, the ratio of price/performance) of commodity PCs, workstations, and networks have made clusters of off-the-shelf computers an attractive option for low-cost, high-performance computing. A major advantage of clusters is that since they can have any number of processors, they can be purchased using any sized budget, allowing research groups to install a cluster for their own dedicated use, and to scale up to more processors if additional funds become available. Clusters are now being built for high-energy physics simulations. Wuppertal has recently installed ALiCE, a cluster of 128 Alpha workstations running Linux, with a peak performance of 158 G flops. The Jefferson Laboratory in the US has a 16 node Alpha cluster and plans to upgrade to a 256 processor machine. In Australia, several large clusters have recently been installed. Swinburne University of Technology has a cluster of 64 Compaq Alpha workstations used for astrophysics simulations. Early this year our DHPC group constructed a cluster of 116 dual Pentium PCs (i.e. 232 processors) connected by a Fast Ethernet network, which is used by chemists at Adelaide University and Flinders University to run computational chemistry codes. The Australian National University has recently installed a similar PC cluster with 192 processors. The Centre for the Subatomic Structure of Matter (CSSM) undertakes large-scale high-energy physics calculations, mainly lattice QCD simulations. The choice of the computer and network hardware for a cluster depends on the particular applications to be run on the machine. Our

  16. Interval sampling methods and measurement error: a computer simulation.

    Science.gov (United States)

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

    2014-01-01

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

  17. A hybrid neutron diffraction and computer simulation study on the solvation of N-methylformamide in dimethylsulfoxide

    Science.gov (United States)

    Cordeiro, João M. M.; Soper, Alan K.

    2013-01-01

    The solvation of N-methylformamide (NMF) by dimethylsulfoxide (DMSO) in a 20% NMF/DMSO liquid mixture is investigated using a combination of neutron diffraction augmented with isotopic substitution and Monte Carlo simulations. The aim is to investigate the solute-solvent interactions and the structure of the solution. The results point to the formation of a hydrogen bond (H-bond) between the H bonded to the N of the amine group of NMF and the O of DMSO particularly strong when compared with other H-bonded liquids. Moreover, a second cooperative H-bond is identified with the S atom of DMSO. As a consequence of these H-bonds, molecules of NMF and DMSO are rather rigidly connected, establishing very stable dimmers in the mixture and very well organized first and second solvation shells.

  18. Computer simulation of backscattered alpha particles

    International Nuclear Information System (INIS)

    Sanchez, A. Martin; Bland, C.J.; Timon, A. Fernandez

    2000-01-01

    Alpha-particle spectrometry forms an important aspect of radionuclide metrology. Accurate measurements require corrections to be made for factors such as self-absorption within the source and backscattering from the backing material. The theory of the latter phenomenon has only received limited attention. Furthermore the experimental verification of these theoretical results requires adequate counting statistics for a variety of sources with different activities. These problems could be resolved by computer simulations of the various interactions which occur as alpha-particles move through different materials. The pioneering work of Ziegler and his coworkers over several years, has provided the sophisticated software (SRIM) which has enabled us to obtain the results presented here. These results are compared with theoretical and experimental values obtained previously

  19. Computer simulation of a magnetohydrodynamic dynamo II

    International Nuclear Information System (INIS)

    Kageyama, Akira; Sato, Tetsuya.

    1994-11-01

    We performed a computer simulation of a magnetohydrodynamic dynamo in a rapidly rotating spherical shell. Extensive parameter runs are carried out changing the electrical resistivity. It is found that the total magnetic energy can grow more than ten times larger than the total kinetic energy of the convection motion when the resistivity is sufficiently small. When the resistivity is relatively large and the magnetic energy is comparable or smaller than the kinetic energy, the convection motion maintains its well-organized structure. However, when the resistivity is small and the magnetic energy becomes larger than the kinetic energy, the well-organized convection motion is highly disturbed. The generated magnetic field is organized as a set of flux tubes which can be divided into two categories. The magnetic field component parallel to the rotation axis tends to be confined inside the anticyclonic columnar convection cells. On the other hand, the component perpendicular to the rotation axis is confined outside the convection cells. (author)

  20. Amorphous nanoparticles — Experiments and computer simulations

    International Nuclear Information System (INIS)

    Hoang, Vo Van; Ganguli, Dibyendu

    2012-01-01

    The data obtained by both experiments and computer simulations concerning the amorphous nanoparticles for decades including methods of synthesis, characterization, structural properties, atomic mechanism of a glass formation in nanoparticles, crystallization of the amorphous nanoparticles, physico-chemical properties (i.e. catalytic, optical, thermodynamic, magnetic, bioactivity and other properties) and various applications in science and technology have been reviewed. Amorphous nanoparticles coated with different surfactants are also reviewed as an extension in this direction. Much attention is paid to the pressure-induced polyamorphism of the amorphous nanoparticles or amorphization of the nanocrystalline counterparts. We also introduce here nanocomposites and nanofluids containing amorphous nanoparticles. Overall, amorphous nanoparticles exhibit a disordered structure different from that of corresponding bulks or from that of the nanocrystalline counterparts. Therefore, amorphous nanoparticles can have unique physico-chemical properties differed from those of the crystalline counterparts leading to their potential applications in science and technology.

  1. Computer algebra simulation - what can it do?; Was leistet Computer-Algebra-Simulation?

    Energy Technology Data Exchange (ETDEWEB)

    Braun, S. [Visual Analysis AG, Muenchen (Germany)

    2001-07-01

    Shortened development times require new and improved calculation methods. Numeric methods have long become state of the art. However, although numeric simulations provide a better understanding of process parameters, they do not give a feast overview of the interdependences between parameters. Numeric simulations are effective only if all physical parameters are sufficiently known; otherwise, the efficiency will decrease due to the large number of variant calculations required. Computer algebra simulation closes this gap and provides a deeper understanding of the physical fundamentals of technical processes. [German] Neue und verbesserte Berechnungsmethoden sind notwendig, um die staendige Verkuerzung der Entwicklungszyklen zu ermoeglichen. Herkoemmliche Methoden, die auf einem rein numerischen Ansatz basieren, haben sich in vielen Anwendungsbereichen laengst zum Standard entwickelt. Aber nicht nur die staendig kuerzer werdenden Entwicklungszyklen, sondern auch die weiterwachsende Komplexitaet machen es notwendig, ein besseres Verstaendnis der beteiligten Prozessparameter zu gewinnen. Die numerische Simulation besticht zwar durch Detailloesungen, selbst bei komplexen Strukturen und Prozessen, allerdings liefert sie keine schnelle Abschaetzung ueber die Zusammenhaenge zwischen den einzelnen Parametern. Die numerische Simulation ist nur dann effektiv, wenn alle physikalischen Parameter hinreichend bekannt sind; andernfalls sinkt die Effizienz durch die notwendige Anzahl von notwendigen Variantenrechnungen sehr stark. Die Computer-Algebra-Simulation schliesst diese Luecke in dem sie es erlaubt, sich einen tieferen Einblick in die physikalische Funktionsweise technischer Prozesse zu verschaffen. (orig.)

  2. Multidimensional computer simulation of Stirling cycle engines

    Science.gov (United States)

    Hall, Charles A.; Porsching, Thomas A.

    1992-01-01

    This report summarizes the activities performed under NASA-Grant NAG3-1097 during 1991. During that period, work centered on the following tasks: (1) to investigate more effective solvers for ALGAE; (2) to modify the plotting package for ALGAE; and (3) to validate ALGAE by simulating oscillating flow problems similar to those studied by Kurzweg and Ibrahim.

  3. Computer simulation of auroral kilometric radiation

    International Nuclear Information System (INIS)

    Wagner, J.S.; Tajima, T.; Lee, L.C.; Wu, C.S.

    1983-01-01

    We study the generation of auroral kilometric radiation (AKR) using relativistic, electromagnetic, particle simulations. The AKR source region is modeled by two electron populations in the simulation: a cold (200 eV) Maxwellian component and a hot (5-20 keV) population possessing a loss-cone feature. The loss cone distribution is found to be unstable to the cyclotron maser instability. The fast extraordinary (X-mode) waves dominate the radiation and saturate when resonant particles diffuse into the loss-cone via turbulent scattering of the particles by the amplified X-mode radiation

  4. On architectural acoustic design using computer simulation

    DEFF Research Database (Denmark)

    Schmidt, Anne Marie Due; Kirkegaard, Poul Henning

    2004-01-01

    properties prior to the actual construction of a building. With the right tools applied, acoustic design can become an integral part of the architectural design process. The aim of this paper is to investigate the field of application that an acoustic simulation programme can have during an architectural...... acoustic design process. The emphasis is put on the first three out of five phases in the working process of the architect and a case study is carried out in which each phase is represented by typical results ? as exemplified with reference to the design of Bagsværd Church by Jørn Utzon. The paper...... discusses the advantages and disadvantages of the programme in each phase compared to the works of architects not using acoustic simulation programmes. The conclusion of the paper is that the application of acoustic simulation programs is most beneficial in the last of three phases but an application...

  5. Computer-Based Simulation Games in Public Administration Education

    OpenAIRE

    Kutergina Evgeniia

    2017-01-01

    Computer simulation, an active learning technique, is now one of the advanced pedagogical technologies. Th e use of simulation games in the educational process allows students to gain a firsthand understanding of the processes of real life. Public- administration, public-policy and political-science courses increasingly adopt simulation games in universities worldwide. Besides person-to-person simulation games, there are computer-based simulations in public-administration education. Currently...

  6. Associative Memory Computing Power and Its Simulation

    CERN Document Server

    Volpi, G; The ATLAS collaboration

    2014-01-01

    The associative memory (AM) system is a computing device made of hundreds of AM ASICs chips designed to perform “pattern matching” at very high speed. Since each AM chip stores a data base of 130000 pre-calculated patterns and large numbers of chips can be easily assembled together, it is possible to produce huge AM banks. Speed and size of the system are crucial for real-time High Energy Physics applications, such as the ATLAS Fast TracKer (FTK) Processor. Using 80 million channels of the ATLAS tracker, FTK finds tracks within 100 micro seconds. The simulation of such a parallelized system is an extremely complex task if executed in commercial computers based on normal CPUs. The algorithm performance is limited, due to the lack of parallelism, and in addition the memory requirement is very large. In fact the AM chip uses a content addressable memory (CAM) architecture. Any data inquiry is broadcast to all memory elements simultaneously, thus data retrieval time is independent of the database size. The gr...

  7. Associative Memory computing power and its simulation

    CERN Document Server

    Ancu, L S; The ATLAS collaboration; Britzger, D; Giannetti, P; Howarth, J W; Luongo, C; Pandini, C; Schmitt, S; Volpi, G

    2014-01-01

    The associative memory (AM) system is a computing device made of hundreds of AM ASICs chips designed to perform “pattern matching” at very high speed. Since each AM chip stores a data base of 130000 pre-calculated patterns and large numbers of chips can be easily assembled together, it is possible to produce huge AM banks. Speed and size of the system are crucial for real-time High Energy Physics applications, such as the ATLAS Fast TracKer (FTK) Processor. Using 80 million channels of the ATLAS tracker, FTK finds tracks within 100 micro seconds. The simulation of such a parallelized system is an extremely complex task if executed in commercial computers based on normal CPUs. The algorithm performance is limited, due to the lack of parallelism, and in addition the memory requirement is very large. In fact the AM chip uses a content addressable memory (CAM) architecture. Any data inquiry is broadcast to all memory elements simultaneously, thus data retrieval time is independent of the database size. The gr...

  8. Computer simulations of the mouse spermatogenic cycle

    Directory of Open Access Journals (Sweden)

    Debjit Ray

    2014-12-01

    Full Text Available The spermatogenic cycle describes the periodic development of germ cells in the testicular tissue. The temporal–spatial dynamics of the cycle highlight the unique, complex, and interdependent interaction between germ and somatic cells, and are the key to continual sperm production. Although understanding the spermatogenic cycle has important clinical relevance for male fertility and contraception, there are a number of experimental obstacles. For example, the lengthy process cannot be visualized through dynamic imaging, and the precise action of germ cells that leads to the emergence of testicular morphology remains uncharacterized. Here, we report an agent-based model that simulates the mouse spermatogenic cycle on a cross-section of the seminiferous tubule over a time scale of hours to years, while considering feedback regulation, mitotic and meiotic division, differentiation, apoptosis, and movement. The computer model is able to elaborate the germ cell dynamics in a time-lapse movie format, allowing us to trace individual cells as they change state and location. More importantly, the model provides mechanistic understanding of the fundamentals of male fertility, namely how testicular morphology and sperm production are achieved. By manipulating cellular behaviors either individually or collectively in silico, the model predicts causal events for the altered arrangement of germ cells upon genetic or environmental perturbations. This in silico platform can serve as an interactive tool to perform long-term simulation and to identify optimal approaches for infertility treatment and contraceptive development.

  9. Computer simulation of heterogeneous polymer photovoltaic devices

    International Nuclear Information System (INIS)

    Kodali, Hari K; Ganapathysubramanian, Baskar

    2012-01-01

    Polymer-based photovoltaic devices have the potential for widespread usage due to their low cost per watt and mechanical flexibility. Efficiencies close to 9.0% have been achieved recently in conjugated polymer based organic solar cells (OSCs). These devices were fabricated using solvent-based processing of electron-donating and electron-accepting materials into the so-called bulk heterojunction (BHJ) architecture. Experimental evidence suggests that a key property determining the power-conversion efficiency of such devices is the final morphological distribution of the donor and acceptor constituents. In order to understand the role of morphology on device performance, we develop a scalable computational framework that efficiently interrogates OSCs to investigate relationships between the morphology at the nano-scale with the device performance. In this work, we extend the Buxton and Clarke model (2007 Modelling Simul. Mater. Sci. Eng. 15 13–26) to simulate realistic devices with complex active layer morphologies using a dimensionally independent, scalable, finite-element method. We incorporate all stages involved in current generation, namely (1) exciton generation and diffusion, (2) charge generation and (3) charge transport in a modular fashion. The numerical challenges encountered during interrogation of realistic microstructures are detailed. We compare each stage of the photovoltaic process for two microstructures: a BHJ morphology and an idealized sawtooth morphology. The results are presented for both two- and three-dimensional structures. (paper)

  10. Computer simulation of heterogeneous polymer photovoltaic devices

    Science.gov (United States)

    Kodali, Hari K.; Ganapathysubramanian, Baskar

    2012-04-01

    Polymer-based photovoltaic devices have the potential for widespread usage due to their low cost per watt and mechanical flexibility. Efficiencies close to 9.0% have been achieved recently in conjugated polymer based organic solar cells (OSCs). These devices were fabricated using solvent-based processing of electron-donating and electron-accepting materials into the so-called bulk heterojunction (BHJ) architecture. Experimental evidence suggests that a key property determining the power-conversion efficiency of such devices is the final morphological distribution of the donor and acceptor constituents. In order to understand the role of morphology on device performance, we develop a scalable computational framework that efficiently interrogates OSCs to investigate relationships between the morphology at the nano-scale with the device performance. In this work, we extend the Buxton and Clarke model (2007 Modelling Simul. Mater. Sci. Eng. 15 13-26) to simulate realistic devices with complex active layer morphologies using a dimensionally independent, scalable, finite-element method. We incorporate all stages involved in current generation, namely (1) exciton generation and diffusion, (2) charge generation and (3) charge transport in a modular fashion. The numerical challenges encountered during interrogation of realistic microstructures are detailed. We compare each stage of the photovoltaic process for two microstructures: a BHJ morphology and an idealized sawtooth morphology. The results are presented for both two- and three-dimensional structures.

  11. Sonification of simulations in computational physics

    International Nuclear Information System (INIS)

    Vogt, K.

    2010-01-01

    Sonification is the translation of information for auditory perception, excluding speech itself. The cognitive performance of pattern recognition is striking for sound, and has too long been disregarded by the scientific mainstream. Examples of 'spontaneous sonification' and systematic research for about 20 years have proven that sonification provides a valuable tool for the exploration of scientific data. The data in this thesis stem from computational physics, where numerical simulations are applied to problems in physics. Prominent examples are spin models and lattice quantum field theories. The corresponding data lend themselves very well to innovative display methods: they are structured on discrete lattices, often stochastic, high-dimensional and abstract, and they provide huge amounts of data. Furthermore, they have no inher- ently perceptual dimension. When designing the sonification of simulation data, one has to make decisions on three levels, both for the data and the sound model: the level of meaning (phenomenological; metaphoric); of structure (in time and space), and of elements ('display units' vs. 'gestalt units'). The design usually proceeds as a bottom-up or top-down process. This thesis provides a 'toolbox' for helping in these decisions. It describes tools that have proven particularly useful in the context of simulation data. An explicit method of top-down sonification design is the metaphoric sonification method, which is based on expert interviews. Furthermore, qualitative and quantitative evaluation methods are presented, on the basis of which a set of evaluation criteria is proposed. The translation between a scientific and the sound synthesis domain is elucidated by a sonification operator. For this formalization, a collection of notation modules is provided. Showcases are discussed in detail that have been developed in the interdisciplinary research projects SonEnvir and QCD-audio, during the second Science By Ear workshop and during a

  12. Computational physics simulation of classical and quantum systems

    CERN Document Server

    Scherer, Philipp O J

    2013-01-01

    This textbook presents basic and advanced computational physics in a very didactic style. It contains very-well-presented and simple mathematical descriptions of many of the most important algorithms used in computational physics. Many clear mathematical descriptions of important techniques in computational physics are given. The first part of the book discusses the basic numerical methods. A large number of exercises and computer experiments allows to study the properties of these methods. The second part concentrates on simulation of classical and quantum systems. It uses a rather general concept for the equation of motion which can be applied to ordinary and partial differential equations. Several classes of integration methods are discussed including not only the standard Euler and Runge Kutta method but also multistep methods and the class of Verlet methods which is introduced by studying the motion in Liouville space. Besides the classical methods, inverse interpolation is discussed, together with the p...

  13. The use of micro-computers in the simulation of ion beam optics

    International Nuclear Information System (INIS)

    Spaedtke, P.; Ivens, D.

    1989-01-01

    With computer simulation codes specific problems of the ion beam optics can be studied, which is useful in the design as in optimization of existing systems. Several such codes have been developed, unfortunately requiring substantial computer resources. Recent advances of mini- and micro-computers have now made it possible to develop simulation codes which can be run on these small computers also. In this paper, some of these codes will be presented and their computing time discussed. (author)

  14. Proceedings of the meeting on large scale computer simulation research

    International Nuclear Information System (INIS)

    2004-04-01

    The meeting to summarize the collaboration activities for FY2003 on the Large Scale Computer Simulation Research was held January 15-16, 2004 at Theory and Computer Simulation Research Center, National Institute for Fusion Science. Recent simulation results, methodologies and other related topics were presented. (author)

  15. Computer simulation and experimental study of the polysaccharide-polysaccharide interaction in the bacteria Azospirillum brasilense Sp245

    Science.gov (United States)

    Arefeva, Oksana A.; Kuznetsov, Pavel E.; Tolmachev, Sergey A.; Kupadze, Machammad S.; Khlebtsov, Boris N.; Rogacheva, Svetlana M.

    2003-09-01

    We have studied the conformational properties and molecular dynamics of polysaccharides by using molecular modeling methods. Theoretical and experimental results of polysaccharide-polysaccharide interactions are described.

  16. The role of computer simulation in nuclear technologies development

    International Nuclear Information System (INIS)

    Tikhonchev, M.Yu.; Shimansky, G.A.; Lebedeva, E.E.; Lichadeev, V. V.; Ryazanov, D.K.; Tellin, A.I.

    2001-01-01

    In the report the role and purposes of computer simulation in nuclear technologies development is discussed. The authors consider such applications of computer simulation as nuclear safety researches, optimization of technical and economic parameters of acting nuclear plant, planning and support of reactor experiments, research and design new devices and technologies, design and development of 'simulators' for operating personnel training. Among marked applications the following aspects of computer simulation are discussed in the report: neutron-physical, thermal and hydrodynamics models, simulation of isotope structure change and damage dose accumulation for materials under irradiation, simulation of reactor control structures. (authors)

  17. The role of computer simulation in nuclear technology development

    International Nuclear Information System (INIS)

    Tikhonchev, M.Yu.; Shimansky, G.A.; Lebedeva, E.E.; Lichadeev, VV.; Ryazanov, D.K.; Tellin, A.I.

    2000-01-01

    In the report, the role and purpose of computer simulation in nuclear technology development is discussed. The authors consider such applications of computer simulation as: (a) Nuclear safety research; (b) Optimization of technical and economic parameters of acting nuclear plant; (c) Planning and support of reactor experiments; (d) Research and design new devices and technologies; (f) Design and development of 'simulators' for operating personnel training. Among marked applications, the following aspects of computer simulation are discussed in the report: (g) Neutron-physical, thermal and hydrodynamics models; (h) Simulation of isotope structure change and dam- age dose accumulation for materials under irradiation; (i) Simulation of reactor control structures. (authors)

  18. ASAS: Computational code for Analysis and Simulation of Atomic Spectra

    Directory of Open Access Journals (Sweden)

    Jhonatha R. dos Santos

    2017-01-01

    Full Text Available The laser isotopic separation process is based on the selective photoionization principle and, because of this, it is necessary to know the absorption spectrum of the desired atom. Computational resource has become indispensable for the planning of experiments and analysis of the acquired data. The ASAS (Analysis and Simulation of Atomic Spectra software presented here is a helpful tool to be used in studies involving atomic spectroscopy. The input for the simulations is friendly and essentially needs a database containing the energy levels and spectral lines of the atoms subjected to be studied.

  19. Computer simulation of human motion in sports biomechanics.

    Science.gov (United States)

    Vaughan, C L

    1984-01-01

    This chapter has covered some important aspects of the computer simulation of human motion in sports biomechanics. First the definition and the advantages and limitations of computer simulation were discussed; second, research on various sporting activities were reviewed. These activities included basic movements, aquatic sports, track and field athletics, winter sports, gymnastics, and striking sports. This list was not exhaustive and certain material has, of necessity, been omitted. However, it was felt that a sufficiently broad and interesting range of activities was chosen to illustrate both the advantages and the pitfalls of simulation. It is almost a decade since Miller [53] wrote a review chapter similar to this one. One might be tempted to say that things have changed radically since then--that computer simulation is now a widely accepted and readily applied research tool in sports biomechanics. This is simply not true, however. Biomechanics researchers still tend to emphasize the descriptive type of study, often unfortunately, when a little theoretical explanation would have been more helpful [29]. What will the next decade bring? Of one thing we can be certain: The power of computers, particularly the readily accessible and portable microcomputer, will expand beyond all recognition. The memory and storage capacities will increase dramatically on the hardware side, and on the software side the trend will be toward "user-friendliness." It is likely that a number of software simulation packages designed specifically for studying human motion [31, 96] will be extensively tested and could gain wide acceptance in the biomechanics research community. Nevertheless, a familiarity with Newtonian and Lagrangian mechanics, optimization theory, and computers in general, as well as practical biomechanical insight, will still be a prerequisite for successful simulation models of human motion. Above all, the biomechanics researcher will still have to bear in mind that

  20. Two-dimensional computer simulation of high intensity proton beams

    CERN Document Server

    Lapostolle, Pierre M

    1972-01-01

    A computer program has been developed which simulates the two- dimensional transverse behaviour of a proton beam in a focusing channel. The model is represented by an assembly of a few thousand 'superparticles' acted upon by their own self-consistent electric field and an external focusing force. The evolution of the system is computed stepwise in time by successively solving Poisson's equation and Newton's law of motion. Fast Fourier transform techniques are used for speed in the solution of Poisson's equation, while extensive area weighting is utilized for the accurate evaluation of electric field components. A computer experiment has been performed on the CERN CDC 6600 computer to study the nonlinear behaviour of an intense beam in phase space, showing under certain circumstances a filamentation due to space charge and an apparent emittance growth. (14 refs).

  1. Adaptive scapula bone remodeling computational simulation: Relevance to regenerative medicine

    International Nuclear Information System (INIS)

    Sharma, Gulshan B.; Robertson, Douglas D.

    2013-01-01

    Shoulder arthroplasty success has been attributed to many factors including, bone quality, soft tissue balancing, surgeon experience, and implant design. Improved long-term success is primarily limited by glenoid implant loosening. Prosthesis design examines materials and shape and determines whether the design should withstand a lifetime of use. Finite element (FE) analyses have been extensively used to study stresses and strains produced in implants and bone. However, these static analyses only measure a moment in time and not the adaptive response to the altered environment produced by the therapeutic intervention. Computational analyses that integrate remodeling rules predict how bone will respond over time. Recent work has shown that subject-specific two- and three dimensional adaptive bone remodeling models are feasible and valid. Feasibility and validation were achieved computationally, simulating bone remodeling using an intact human scapula, initially resetting the scapular bone material properties to be uniform, numerically simulating sequential loading, and comparing the bone remodeling simulation results to the actual scapula’s material properties. Three-dimensional scapula FE bone model was created using volumetric computed tomography images. Muscle and joint load and boundary conditions were applied based on values reported in the literature. Internal bone remodeling was based on element strain-energy density. Initially, all bone elements were assigned a homogeneous density. All loads were applied for 10 iterations. After every iteration, each bone element’s remodeling stimulus was compared to its corresponding reference stimulus and its material properties modified. The simulation achieved convergence. At the end of the simulation the predicted and actual specimen bone apparent density were plotted and compared. Location of high and low predicted bone density was comparable to the actual specimen. High predicted bone density was greater than

  2. Simulation of a small computer of the TRA-1001 type on the BESM computer

    International Nuclear Information System (INIS)

    Galaktionov, V.V.

    1975-01-01

    Considered are the purpose and probable simulation ways of one computer by the other. The emulator (simulation program) is given for a small computer of TRA-1001 type on BESM-6 computer. The simulated computer basic elements are the following: memory (8 K words), central processor, input-output program channel, interruption circuit, computer panel. The work with the input-output devices, teletypes ASP-33, FS-1500 is also simulated. Under actual operation the emulator has been used for translating the programs prepared on punched cards with the aid of translator SLANG-1 by BESM-6 computer. The translator alignment from language COPLAN has been realized with the aid of the emulator

  3. Trapping of oxygen vacancies on twin walls of CaTiO3: a computer simulation study

    International Nuclear Information System (INIS)

    Calleja, Mark; Dove, Martin T; Salje, Ekhard K H

    2003-01-01

    We have studied the atomic structure of [001] 90 deg. rotation twin walls in orthorhombic CaTiO 3 (symmetry Pbnm) at low temperature (10 K) and their effects on oxygen vacancies. The wall thickness was found to be 2.3 nm at T || T c and it was found that it is energetically favourable for such vacancies to reside in the wall, particularly when bridging titania ions in the (001) plane. The binding energy of an oxygen vacancy in the wall with respect to the bulk is calculated to be ≤ 1.2 eV

  4. Monte Carlo simulations on SIMD computer architectures

    International Nuclear Information System (INIS)

    Burmester, C.P.; Gronsky, R.; Wille, L.T.

    1992-01-01

    In this paper algorithmic considerations regarding the implementation of various materials science applications of the Monte Carlo technique to single instruction multiple data (SIMD) computer architectures are presented. In particular, implementation of the Ising model with nearest, next nearest, and long range screened Coulomb interactions on the SIMD architecture MasPar MP-1 (DEC mpp-12000) series of massively parallel computers is demonstrated. Methods of code development which optimize processor array use and minimize inter-processor communication are presented including lattice partitioning and the use of processor array spanning tree structures for data reduction. Both geometric and algorithmic parallel approaches are utilized. Benchmarks in terms of Monte Carl updates per second for the MasPar architecture are presented and compared to values reported in the literature from comparable studies on other architectures

  5. Lattice dynamics of Ba1-xKxBiO3 as studied by neutron scattering and computer simulation

    International Nuclear Information System (INIS)

    Belushkin, A.V.; Vagov, A.V.; Zemlyanov, M.G.; Parshin, P.P.

    1991-01-01

    A time-of-flight neutron inelastic scattering study of the lattice dynamics of Ba 1-x K x BiO 3 for x=0.0 and x=0.4 has been performed for the temperatures 10 K, 80 K and 290 K. No temperature effects were found for the generalized phonon density of states. The phonon spectrum of a superconducting sample reveals less in number van Hove singularities and softens in comparison with that of the nonsuperconducting one. On the basis of the simple model for interatomic potential the lattice dynamics of this system was calculated. Some features of the structural phase diagram and the optical spectroscopy data were explained using this model. The calculated phonon density of states was found to be in good agreement with experiment. 36 refs.; 3 figs

  6. Prototyping and Simulating Parallel, Distributed Computations with VISA

    National Research Council Canada - National Science Library

    Demeure, Isabelle M; Nutt, Gary J

    1989-01-01

    ...] to support the design, prototyping, and simulation of parallel, distributed computations. In particular, VISA is meant to guide the choice of partitioning and communication strategies for such computations, based on their performance...

  7. Supporting hypothesis generation by learners exploring an interactive computer simulation

    NARCIS (Netherlands)

    van Joolingen, Wouter R.; de Jong, Ton

    1992-01-01

    Computer simulations provide environments enabling exploratory learning. Research has shown that these types of learning environments are promising applications of computer assisted learning but also that they introduce complex learning settings, involving a large number of learning processes. This

  8. COMPUTER LEARNING SIMULATOR WITH VIRTUAL REALITY FOR OPHTHALMOLOGY

    Directory of Open Access Journals (Sweden)

    Valeria V. Gribova

    2013-01-01

    Full Text Available A toolset of a medical computer learning simulator for ophthalmology with virtual reality and its implementation are considered in the paper. The simulator is oriented for professional skills training for students of medical universities. 

  9. Computer simulation of the self-sputtering of uranium

    International Nuclear Information System (INIS)

    Robinson, M.T.

    1983-01-01

    The sputtering of polycrystalline α-uranium by uranium ions of energies below 10 keV has been studied in the binary collision approximation using the computer simulation program marlowe. Satisfactory agreement of the computed sputtering yields with the small amount of available experimental data was achieved using the Moliere interatomic potential, a semilocal inelastic loss function, and a planar surface binding barrier, all with conventional parameters. The model is used to discuss low energy sputtering processes and the energy and angular distributions of the reflected primaries and the sputtered target particles

  10. QDENSITY—A Mathematica quantum computer simulation

    Science.gov (United States)

    Juliá-Díaz, Bruno; Burdis, Joseph M.; Tabakin, Frank

    2009-03-01

    This Mathematica 6.0 package is a simulation of a Quantum Computer. The program provides a modular, instructive approach for generating the basic elements that make up a quantum circuit. The main emphasis is on using the density matrix, although an approach using state vectors is also implemented in the package. The package commands are defined in Qdensity.m which contains the tools needed in quantum circuits, e.g., multiqubit kets, projectors, gates, etc. New version program summaryProgram title: QDENSITY 2.0 Catalogue identifier: ADXH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 26 055 No. of bytes in distributed program, including test data, etc.: 227 540 Distribution format: tar.gz Programming language: Mathematica 6.0 Operating system: Any which supports Mathematica; tested under Microsoft Windows XP, Macintosh OS X, and Linux FC4 Catalogue identifier of previous version: ADXH_v1_0 Journal reference of previous version: Comput. Phys. Comm. 174 (2006) 914 Classification: 4.15 Does the new version supersede the previous version?: Offers an alternative, more up to date, implementation Nature of problem: Analysis and design of quantum circuits, quantum algorithms and quantum clusters. Solution method: A Mathematica package is provided which contains commands to create and analyze quantum circuits. Several Mathematica notebooks containing relevant examples: Teleportation, Shor's Algorithm and Grover's search are explained in detail. A tutorial, Tutorial.nb is also enclosed. Reasons for new version: The package has been updated to make it fully compatible with Mathematica 6.0 Summary of revisions: The package has been updated to make it fully compatible with Mathematica 6.0 Running time: Most examples

  11. Computer simulation boosts automation in the stockyard

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-04-01

    Today's desktop computer and advanced software keep pace with handling equipment to reach new heights of sophistication with graphic simulation able to show precisely what is and could happen in the coal terminal's stockyard. The article describes an innovative coal terminal nearing completion on the Pacific coast at Lazaro Cardenas in Mexico, called the Petracalco terminal. Here coal is unloaded, stored and fed to the nearby power plant of Pdte Plutarco Elias Calles. The R & D department of the Italian company Techint, Italimpianti has developed MHATIS, a sophisticated software system for marine terminal management here, allowing analysis of performance with the use of graphical animation. Strategies can be tested before being put into practice and likely power station demand can be predicted. The design and operation of the MHATIS system is explained. Other integrated coal handling plants described in the article are that developed by the then PWH (renamed Krupp Foerdertechnik) of Germany for the Israel Electric Corporation and the installation by the same company of a further bucketwheel for a redesigned coal stockyard at the Port of Hamburg operated by Hansaport. 1 fig., 4 photos.

  12. Analytical simulation platform describing projections in computed tomography systems

    International Nuclear Information System (INIS)

    Youn, Hanbean; Kim, Ho Kyung

    2013-01-01

    To reduce the patient dose, several approaches such as spectral imaging using photon counting detectors and statistical image reconstruction, are being considered. Although image-reconstruction algorithms may significantly enhance image quality in reconstructed images with low dose, true signal-to-noise properties are mainly determined by image quality in projections. We are developing an analytical simulation platform describing projections to investigate how quantum-interaction physics in each component configuring CT systems affect image quality in projections. This simulator will be very useful for an improved design or optimization of CT systems in economy as well as the development of novel image-reconstruction algorithms. In this study, we present the progress of development of the simulation platform with an emphasis on the theoretical framework describing the generation of projection data. We have prepared the analytical simulation platform describing projections in computed tomography systems. The remained further study before the meeting includes the following: Each stage in the cascaded signal-transfer model for obtaining projections will be validated by the Monte Carlo simulations. We will build up energy-dependent scatter and pixel-crosstalk kernels, and show their effects on image quality in projections and reconstructed images. We will investigate the effects of projections obtained from various imaging conditions and system (or detector) operation parameters on reconstructed images. It is challenging to include the interaction physics due to photon-counting detectors into the simulation platform. Detailed descriptions of the simulator will be presented with discussions on its performance and limitation as well as Monte Carlo validations. Computational cost will also be addressed in detail. The proposed method in this study is simple and can be used conveniently in lab environment

  13. Some computer simulations based on the linear relative risk model

    International Nuclear Information System (INIS)

    Gilbert, E.S.

    1991-10-01

    This report presents the results of computer simulations designed to evaluate and compare the performance of the likelihood ratio statistic and the score statistic for making inferences about the linear relative risk mode. The work was motivated by data on workers exposed to low doses of radiation, and the report includes illustration of several procedures for obtaining confidence limits for the excess relative risk coefficient based on data from three studies of nuclear workers. The computer simulations indicate that with small sample sizes and highly skewed dose distributions, asymptotic approximations to the score statistic or to the likelihood ratio statistic may not be adequate. For testing the null hypothesis that the excess relative risk is equal to zero, the asymptotic approximation to the likelihood ratio statistic was adequate, but use of the asymptotic approximation to the score statistic rejected the null hypothesis too often. Frequently the likelihood was maximized at the lower constraint, and when this occurred, the asymptotic approximations for the likelihood ratio and score statistics did not perform well in obtaining upper confidence limits. The score statistic and likelihood ratio statistics were found to perform comparably in terms of power and width of the confidence limits. It is recommended that with modest sample sizes, confidence limits be obtained using computer simulations based on the score statistic. Although nuclear worker studies are emphasized in this report, its results are relevant for any study investigating linear dose-response functions with highly skewed exposure distributions. 22 refs., 14 tabs

  14. Diagnostic value of two modes of cone-beam computed tomography in evaluation of simulated external root resorption: an in vitro study

    Energy Technology Data Exchange (ETDEWEB)

    Dalili, Zahra; Taramsari, Mehran; Mehr, Seyed Zoheir Mousavi; Salamat, Fatemeh [Guilan University of Medical Sciences, Rasht (Iran, Islamic Republic of)

    2012-03-15

    Field of view and voxel resolution of cone beam computed tomography (CBCT) might affect the diagnostic capability. This study was performed to compare between the standard and HiRes zoom modes in the diagnosis of external root resorption (ERR) using CBCT. Sixty three small cavities (0.25 mm depth and 0.5 mm diameter) were simulated on the buccal, lingual, and proximal surfaces at three different levels of 16 roots of teeth. After covering the root with nail varnish, the roots were inserted in the sockets and the model was placed in a water-containing lacuna. CBCT scans were taken in both standard and HiRes zoom modes using NewTom VG (QR srl Company, Verona, Italy). Then, an observer assessed the images to determine the presence or absence of the cavities. This process was repeated by increasing the size and depth of cavities to 0.5 mm depth and 1 mm diameter. Data were analyzed by McNemar test. The sensitivity, specificity, positive predictive value, negative predictive value, and likelihood ratio in evaluation of the simulated cavities were calculated. There was a significant difference between the two imaging modes in diagnosing the shallow cavities (p=0.02). The sensitivity of the standard zoom in detecting the shallow cavities was lower than that of the HiRes zoom. The likelihood ratio of the HiRes zoom was higher in the diagnosis of both cavity types. This study suggested that a smaller voxel size in the HiRes zoom mode of CBCT is preferred for diagnosis of ERR.

  15. Accurate computer simulation of a drift chamber

    International Nuclear Information System (INIS)

    Killian, T.J.

    1980-01-01

    A general purpose program for drift chamber studies is described. First the capacitance matrix is calculated using a Green's function technique. The matrix is used in a linear-least-squares fit to choose optimal operating voltages. Next the electric field is computed, and given knowledge of gas parameters and magnetic field environment, a family of electron trajectories is determined. These are finally used to make drift distance vs time curves which may be used directly by a track reconstruction program. Results are compared with data obtained from the cylindrical chamber in the Axial Field Magnet experiment at the CERN ISR

  16. Accurate computer simulation of a drift chamber

    CERN Document Server

    Killian, T J

    1980-01-01

    The author describes a general purpose program for drift chamber studies. First the capacitance matrix is calculated using a Green's function technique. The matrix is used in a linear-least-squares fit to choose optimal operating voltages. Next the electric field is computed, and given knowledge of gas parameters and magnetic field environment, a family of electron trajectories is determined. These are finally used to make drift distance vs time curves which may be used directly by a track reconstruction program. The results are compared with data obtained from the cylindrical chamber in the Axial Field Magnet experiment at the CERN ISR. (1 refs).

  17. The transesophageal echocardiography simulator based on computed tomography images.

    Science.gov (United States)

    Piórkowski, Adam; Kempny, Aleksander

    2013-02-01

    Simulators are a new tool in education in many fields, including medicine, where they greatly improve familiarity with medical procedures, reduce costs, and, importantly, cause no harm to patients. This is so in the case of transesophageal echocardiography (TEE), in which the use of a simulator facilitates spatial orientation and helps in case studies. The aim of the project described in this paper is to simulate an examination by TEE. This research makes use of available computed tomography data to simulate the corresponding echocardiographic view. This paper describes the essential characteristics that distinguish these two modalities and the key principles of the wave phenomena that should be considered in the simulation process, taking into account the conditions specific to the echocardiography. The construction of the CT2TEE (Web-based TEE simulator) is also presented. The considerations include ray-tracing and ray-casting techniques in the context of ultrasound beam and artifact simulation. An important aspect of the interaction with the user is raised.

  18. Computer Models Simulate Fine Particle Dispersion

    Science.gov (United States)

    2010-01-01

    Through a NASA Seed Fund partnership with DEM Solutions Inc., of Lebanon, New Hampshire, scientists at Kennedy Space Center refined existing software to study the electrostatic phenomena of granular and bulk materials as they apply to planetary surfaces. The software, EDEM, allows users to import particles and obtain accurate representations of their shapes for modeling purposes, such as simulating bulk solids behavior, and was enhanced to be able to more accurately model fine, abrasive, cohesive particles. These new EDEM capabilities can be applied in many industries unrelated to space exploration and have been adopted by several prominent U.S. companies, including John Deere, Pfizer, and Procter & Gamble.

  19. Simulation of Tailrace Hydrodynamics Using Computational Fluid Dynamics Models

    Energy Technology Data Exchange (ETDEWEB)

    Cook, Christopher B.; Richmond, Marshall C.

    2001-05-01

    This report investigates the feasibility of using computational fluid dynamics (CFD) tools to investigate hydrodynamic flow fields surrounding the tailrace zone below large hydraulic structures. Previous and ongoing studies using CFD tools to simulate gradually varied flow with multiple constituents and forebay/intake hydrodynamics have shown that CFD tools can provide valuable information for hydraulic and biological evaluation of fish passage near hydraulic structures. These studies however are incapable of simulating the rapidly varying flow fields that involving breakup of the free-surface, such as those through and below high flow outfalls and spillways. Although the use of CFD tools for these types of flow are still an active area of research, initial applications discussed in this report show that these tools are capable of simulating the primary features of these highly transient flow fields.

  20. An Investigation of Computer-based Simulations for School Crises Management.

    Science.gov (United States)

    Degnan, Edward; Bozeman, William

    2001-01-01

    Describes development of a computer-based simulation program for training school personnel in crisis management. Addresses the data collection and analysis involved in developing a simulated event, the systems requirements for simulation, and a case study of application and use of the completed simulation. (Contains 21 references.) (Authors/PKP)

  1. A simulation study of high-resolution x-ray computed tomography imaging using irregular sampling with a photon-counting detector

    International Nuclear Information System (INIS)

    Lee, Seungwan; Choi, Yu-Na; Kim, Hee-Joung

    2013-01-01

    The purpose of this study was to improve the spatial resolution for the x-ray computed tomography (CT) imaging with a photon-counting detector using an irregular sampling method. The geometric shift-model of detector was proposed to produce the irregular sampling pattern and increase the number of samplings in the radial direction. The conventional micro-x-ray CT system and the novel system with the geometric shift-model of detector were simulated using analytic and Monte Carlo simulations. The projections were reconstructed using filtered back-projection (FBP), algebraic reconstruction technique (ART), and total variation (TV) minimization algorithms, and the reconstructed images were compared in terms of normalized root-mean-square error (NRMSE), full-width at half-maximum (FWHM), and coefficient-of-variation (COV). The results showed that the image quality improved in the novel system with the geometric shift-model of detector, and the NRMSE, FWHM, and COV were lower for the images reconstructed using the TV minimization technique in the novel system with the geometric shift-model of detector. The irregular sampling method produced by the geometric shift-model of detector can improve the spatial resolution and reduce artifacts and noise for reconstructed images obtained from an x-ray CT system with a photon-counting detector. -- Highlights: • We proposed a novel sampling method based on a spiral pattern to improve the spatial resolution. • The novel sampling method increased the number of samplings in the radial direction. • The spatial resolution was improved by the novel sampling method

  2. Teaching Computer Organization and Architecture Using Simulation and FPGA Applications

    OpenAIRE

    D. K.M. Al-Aubidy

    2007-01-01

    This paper presents the design concepts and realization of incorporating micro-operation simulation and FPGA implementation into a teaching tool for computer organization and architecture. This teaching tool helps computer engineering and computer science students to be familiarized practically with computer organization and architecture through the development of their own instruction set, computer programming and interfacing experiments. A two-pass assembler has been designed and implemente...

  3. Computer simulations of disordering kinetics in irradiated intermetallic compounds

    International Nuclear Information System (INIS)

    Spaczer, M.; Caro, A.; Victoria, M.; Diaz de la Rubia, T.

    1994-01-01

    Molecular-dynamics computer simulations of collision cascades in intermetallic Cu 3 Au, Ni 3 Al, and NiAl have been performed to study the nature of the disordering processes in the collision cascade. The choice of these systems was suggested by the quite accurate description of the thermodynamic properties obtained using embedded-atom-type potentials. Since melting occurs in the core of the cascades, interesting effects appear as a result of the superposition of the loss (and subsequent recovery) of the crystalline order and the evolution of the chemical order, both processes being developed on different time scales. In our previous simulations on Ni 3 Al and Cu 3 Au [T. Diaz de la Rubia, A. Caro, and M. Spaczer, Phys. Rev. B 47, 11 483 (1993)] we found a significant difference between the time evolution of the chemical short-range order (SRO) and the crystalline order in the cascade core for both alloys, namely the complete loss of the crystalline structure but only partial chemical disordering. Recent computer simulations in NiAl show the same phenomena. To understand these features we study the liquid phase of these three alloys and present simulation results concerning the dynamical melting of small samples, examining the atomic mobility, the relaxation time, and the saturation value of the chemical short-range order. An analytic model for the time evolution of the SRO is given

  4. Overview of Computer Simulation Modeling Approaches and Methods

    Science.gov (United States)

    Robert E. Manning; Robert M. Itami; David N. Cole; Randy Gimblett

    2005-01-01

    The field of simulation modeling has grown greatly with recent advances in computer hardware and software. Much of this work has involved large scientific and industrial applications for which substantial financial resources are available. However, advances in object-oriented programming and simulation methodology, concurrent with dramatic increases in computer...

  5. The visual simulators for architecture and computer organization learning

    OpenAIRE

    Nikolić Boško; Grbanović Nenad; Đorđević Jovan

    2009-01-01

    The paper proposes a method of an effective distance learning of architecture and computer organization. The proposed method is based on a software system that is possible to be applied in any course in this field. Within this system students are enabled to observe simulation of already created computer systems. The system provides creation and simulation of switch systems, too.

  6. Computer Simulation (Microcultures): An Effective Model for Multicultural Education.

    Science.gov (United States)

    Nelson, Jorge O.

    This paper presents a rationale for using high-fidelity computer simulation in planning for and implementing effective multicultural education strategies. Using computer simulation, educators can begin to understand and plan for the concept of cultural sensitivity in delivering instruction. The model promises to emphasize teachers' understanding…

  7. GEANT4 simulations for Proton computed tomography applications

    International Nuclear Information System (INIS)

    Yevseyeva, Olga; Assis, Joaquim T. de; Evseev, Ivan; Schelin, Hugo R.; Shtejer Diaz, Katherin; Lopes, Ricardo T.

    2011-01-01

    Proton radiation therapy is a highly precise form of cancer treatment. In existing proton treatment centers, dose calculations are performed based on X-ray computed tomography (CT). Alternatively, one could image the tumor directly with proton CT (pCT). Proton beams in medical applications deal with relatively thick targets like the human head or trunk. Thus, the fidelity of proton computed tomography (pCT) simulations as a tool for proton therapy planning depends in the general case on the accuracy of results obtained for the proton interaction with thick absorbers. GEANT4 simulations of proton energy spectra after passing thick absorbers do not agree well with existing experimental data, as showed previously. The spectra simulated for the Bethe-Bloch domain showed an unexpected sensitivity to the choice of low-energy electromagnetic models during the code execution. These observations were done with the GEANT4 version 8.2 during our simulations for pCT. This work describes in more details the simulations of the proton passage through gold absorbers with varied thickness. The simulations were done by modifying only the geometry in the Hadron therapy Example, and for all available choices of the Electromagnetic Physics Models. As the most probable reasons for these effects is some specific feature in the code or some specific implicit parameters in the GEANT4 manual, we continued our study with version 9.2 of the code. Some improvements in comparison with our previous results were obtained. The simulations were performed considering further applications for pCT development. The authors want to thank CNPq, CAPES and 'Fundacao Araucaria' for financial support of this work. (Author)

  8. Simulation in computer forensics teaching: the student experience

    OpenAIRE

    Crellin, Jonathan; Adda, Mo; Duke-Williams, Emma; Chandler, Jane

    2011-01-01

    The use of simulation in teaching computing is well established, with digital forensic investigation being a subject area where the range of simulation required is both wide and varied demanding a corresponding breadth of fidelity. Each type of simulation can be complex and expensive to set up resulting in students having only limited opportunities to participate and learn from the simulation. For example students' participation in mock trials in the University mock courtroom or in simulation...

  9. Challenges & Roadmap for Beyond CMOS Computing Simulation.

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, Arun F. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Frank, Michael P. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-12-01

    Simulating HPC systems is a difficult task and the emergence of “Beyond CMOS” architectures and execution models will increase that difficulty. This document presents a “tutorial” on some of the simulation challenges faced by conventional and non-conventional architectures (Section 1) and goals and requirements for simulating Beyond CMOS systems (Section 2). These provide background for proposed short- and long-term roadmaps for simulation efforts at Sandia (Sections 3 and 4). Additionally, a brief explanation of a proof-of-concept integration of a Beyond CMOS architectural simulator is presented (Section 2.3).

  10. Computational physics simulation of classical and quantum systems

    CERN Document Server

    Scherer, Philipp O J

    2017-01-01

    This textbook presents basic numerical methods and applies them to a large variety of physical models in multiple computer experiments. Classical algorithms and more recent methods are explained. Partial differential equations are treated generally comparing important methods, and equations of motion are solved by a large number of simple as well as more sophisticated methods. Several modern algorithms for quantum wavepacket motion are compared. The first part of the book discusses the basic numerical methods, while the second part simulates classical and quantum systems. Simple but non-trivial examples from a broad range of physical topics offer readers insights into the numerical treatment but also the simulated problems. Rotational motion is studied in detail, as are simple quantum systems. A two-level system in an external field demonstrates elementary principles from quantum optics and simulation of a quantum bit. Principles of molecular dynamics are shown. Modern bounda ry element methods are presented ...

  11. IMPROVING TACONITE PROCESSING PLANT EFFICIENCY BY COMPUTER SIMULATION, Final Report

    Energy Technology Data Exchange (ETDEWEB)

    William M. Bond; Salih Ersayin

    2007-03-30

    This project involved industrial scale testing of a mineral processing simulator to improve the efficiency of a taconite processing plant, namely the Minorca mine. The Concentrator Modeling Center at the Coleraine Minerals Research Laboratory, University of Minnesota Duluth, enhanced the capabilities of available software, Usim Pac, by developing mathematical models needed for accurate simulation of taconite plants. This project provided funding for this technology to prove itself in the industrial environment. As the first step, data representing existing plant conditions were collected by sampling and sample analysis. Data were then balanced and provided a basis for assessing the efficiency of individual devices and the plant, and also for performing simulations aimed at improving plant efficiency. Performance evaluation served as a guide in developing alternative process strategies for more efficient production. A large number of computer simulations were then performed to quantify the benefits and effects of implementing these alternative schemes. Modification of makeup ball size was selected as the most feasible option for the target performance improvement. This was combined with replacement of existing hydrocyclones with more efficient ones. After plant implementation of these modifications, plant sampling surveys were carried out to validate findings of the simulation-based study. Plant data showed very good agreement with the simulated data, confirming results of simulation. After the implementation of modifications in the plant, several upstream bottlenecks became visible. Despite these bottlenecks limiting full capacity, concentrator energy improvement of 7% was obtained. Further improvements in energy efficiency are expected in the near future. The success of this project demonstrated the feasibility of a simulation-based approach. Currently, the Center provides simulation-based service to all the iron ore mining companies operating in northern

  12. GPU-accelerated micromagnetic simulations using cloud computing

    International Nuclear Information System (INIS)

    Jermain, C.L.; Rowlands, G.E.; Buhrman, R.A.; Ralph, D.C.

    2016-01-01

    Highly parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing GPU-accelerated micromagnetic simulations by utilizing cost-effective GPU access offered by cloud computing services with an open-source Python-based program for running the MuMax3 micromagnetics code remotely. We analyze the scaling and cost benefits of using cloud computing for micromagnetics. - Highlights: • The benefits of cloud computing for GPU-accelerated micromagnetics are examined. • We present the MuCloud software for running simulations on cloud computing. • Simulation run times are measured to benchmark cloud computing performance. • Comparison benchmarks are analyzed between CPU and GPU based solvers.

  13. GPU-accelerated micromagnetic simulations using cloud computing

    Energy Technology Data Exchange (ETDEWEB)

    Jermain, C.L., E-mail: clj72@cornell.edu [Cornell University, Ithaca, NY 14853 (United States); Rowlands, G.E.; Buhrman, R.A. [Cornell University, Ithaca, NY 14853 (United States); Ralph, D.C. [Cornell University, Ithaca, NY 14853 (United States); Kavli Institute at Cornell, Ithaca, NY 14853 (United States)

    2016-03-01

    Highly parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing GPU-accelerated micromagnetic simulations by utilizing cost-effective GPU access offered by cloud computing services with an open-source Python-based program for running the MuMax3 micromagnetics code remotely. We analyze the scaling and cost benefits of using cloud computing for micromagnetics. - Highlights: • The benefits of cloud computing for GPU-accelerated micromagnetics are examined. • We present the MuCloud software for running simulations on cloud computing. • Simulation run times are measured to benchmark cloud computing performance. • Comparison benchmarks are analyzed between CPU and GPU based solvers.

  14. General-purpose parallel simulator for quantum computing

    International Nuclear Information System (INIS)

    Niwa, Jumpei; Matsumoto, Keiji; Imai, Hiroshi

    2002-01-01

    With current technologies, it seems to be very difficult to implement quantum computers with many qubits. It is therefore of importance to simulate quantum algorithms and circuits on the existing computers. However, for a large-size problem, the simulation often requires more computational power than is available from sequential processing. Therefore, simulation methods for parallel processors are required. We have developed a general-purpose simulator for quantum algorithms/circuits on the parallel computer (Sun Enterprise4500). It can simulate algorithms/circuits with up to 30 qubits. In order to test efficiency of our proposed methods, we have simulated Shor's factorization algorithm and Grover's database search, and we have analyzed robustness of the corresponding quantum circuits in the presence of both decoherence and operational errors. The corresponding results, statistics, and analyses are presented in this paper

  15. High performance computer code for molecular dynamics simulations

    International Nuclear Information System (INIS)

    Levay, I.; Toekesi, K.

    2007-01-01

    Complete text of publication follows. Molecular Dynamics (MD) simulation is a widely used technique for modeling complicated physical phenomena. Since 2005 we are developing a MD simulations code for PC computers. The computer code is written in C++ object oriented programming language. The aim of our work is twofold: a) to develop a fast computer code for the study of random walk of guest atoms in Be crystal, b) 3 dimensional (3D) visualization of the particles motion. In this case we mimic the motion of the guest atoms in the crystal (diffusion-type motion), and the motion of atoms in the crystallattice (crystal deformation). Nowadays, it is common to use Graphics Devices in intensive computational problems. There are several ways to use this extreme processing performance, but never before was so easy to programming these devices as now. The CUDA (Compute Unified Device) Architecture introduced by nVidia Corporation in 2007 is a very useful for every processor hungry application. A Unified-architecture GPU include 96-128, or more stream processors, so the raw calculation performance is 576(!) GFLOPS. It is ten times faster, than the fastest dual Core CPU [Fig.1]. Our improved MD simulation software uses this new technology, which speed up our software and the code run 10 times faster in the critical calculation code segment. Although the GPU is a very powerful tool, it has a strongly paralleled structure. It means, that we have to create an algorithm, which works on several processors without deadlock. Our code currently uses 256 threads, shared and constant on-chip memory, instead of global memory, which is 100 times slower than others. It is possible to implement the total algorithm on GPU, therefore we do not need to download and upload the data in every iteration. On behalf of maximal throughput, every thread run with the same instructions

  16. Performance Analysis of Cloud Computing Architectures Using Discrete Event Simulation

    Science.gov (United States)

    Stocker, John C.; Golomb, Andrew M.

    2011-01-01

    Cloud computing offers the economic benefit of on-demand resource allocation to meet changing enterprise computing needs. However, the flexibility of cloud computing is disadvantaged when compared to traditional hosting in providing predictable application and service performance. Cloud computing relies on resource scheduling in a virtualized network-centric server environment, which makes static performance analysis infeasible. We developed a discrete event simulation model to evaluate the overall effectiveness of organizations in executing their workflow in traditional and cloud computing architectures. The two part model framework characterizes both the demand using a probability distribution for each type of service request as well as enterprise computing resource constraints. Our simulations provide quantitative analysis to design and provision computing architectures that maximize overall mission effectiveness. We share our analysis of key resource constraints in cloud computing architectures and findings on the appropriateness of cloud computing in various applications.

  17. Alternative energy technologies an introduction with computer simulations

    CERN Document Server

    Buxton, Gavin

    2014-01-01

    Introduction to Alternative Energy SourcesGlobal WarmingPollutionSolar CellsWind PowerBiofuelsHydrogen Production and Fuel CellsIntroduction to Computer ModelingBrief History of Computer SimulationsMotivation and Applications of Computer ModelsUsing Spreadsheets for SimulationsTyping Equations into SpreadsheetsFunctions Available in SpreadsheetsRandom NumbersPlotting DataMacros and ScriptsInterpolation and ExtrapolationNumerical Integration and Diffe

  18. Integrated computer aided design simulation and manufacture

    OpenAIRE

    Diko, Faek

    1989-01-01

    Computer Aided Design (CAD) and Computer Aided Manufacture (CAM) have been investigated and developed since twenty years as standalone systems. A large number of very powerful but independent packages have been developed for Computer Aided Design,Aanlysis and Manufacture. However, in most cases these packages have poor facility for communicating with other packages. Recently attempts have been made to develop integrated CAD/CAM systems and many software companies a...

  19. Building an adiabatic quantum computer simulation in the classroom

    Science.gov (United States)

    Rodríguez-Laguna, Javier; Santalla, Silvia N.

    2018-05-01

    We present a didactic introduction to adiabatic quantum computation (AQC) via the explicit construction of a classical simulator of quantum computers. This constitutes a suitable route to introduce several important concepts for advanced undergraduates in physics: quantum many-body systems, quantum phase transitions, disordered systems, spin-glasses, and computational complexity theory.

  20. Quantum computer gate simulations | Dada | Journal of the Nigerian ...

    African Journals Online (AJOL)

    A new interactive simulator for Quantum Computation has been developed for simulation of the universal set of quantum gates and for construction of new gates of up to 3 qubits. The simulator also automatically generates an equivalent quantum circuit for any arbitrary unitary transformation on a qubit. Available quantum ...

  1. Computer Simulation of the Circulation Subsystem of a Library

    Science.gov (United States)

    Shaw, W. M., Jr.

    1975-01-01

    When circulation data are used as input parameters for a computer simulation of a library's circulation subsystem, the results of the simulation provide information on book availability and delays. The model may be used to simulate alternative loan policies. (Author/LS)

  2. A note on simulated annealing to computer laboratory scheduling ...

    African Journals Online (AJOL)

    The concepts, principles and implementation of simulated Annealing as a modem heuristic technique is presented. Simulated Annealing algorithm is used in solving real life problem of Computer Laboratory scheduling in order to maximize the use of scarce and insufficient resources. KEY WORDS: Simulated Annealing ...

  3. The challenge of quantum computer simulations of physical phenomena

    International Nuclear Information System (INIS)

    Ortiz, G.; Knill, E.; Gubernatis, J.E.

    2002-01-01

    The goal of physics simulation using controllable quantum systems ('physics imitation') is to exploit quantum laws to advantage, and thus accomplish efficient simulation of physical phenomena. In this Note, we discuss the fundamental concepts behind this paradigm of information processing, such as the connection between models of computation and physical systems. The experimental simulation of a toy quantum many-body problem is described

  4. CPU SIM: A Computer Simulator for Use in an Introductory Computer Organization-Architecture Class.

    Science.gov (United States)

    Skrein, Dale

    1994-01-01

    CPU SIM, an interactive low-level computer simulation package that runs on the Macintosh computer, is described. The program is designed for instructional use in the first or second year of undergraduate computer science, to teach various features of typical computer organization through hands-on exercises. (MSE)

  5. Computer simulation of grain growth in HAZ

    Science.gov (United States)

    Gao, Jinhua

    Two different models for Monte Carlo simulation of normal grain growth in metals and alloys were developed. Each simulation model was based on a different approach to couple the Monte Carlo simulation time to real time-temperature. These models demonstrated the applicability of Monte Carlo simulation to grain growth in materials processing. A grain boundary migration (GBM) model coupled the Monte Carlo simulation to a first principle grain boundary migration model. The simulation results, by applying this model to isothermal grain growth in zone-refined tin, showed good agreement with experimental results. An experimental data based (EDB) model coupled the Monte Carlo simulation with grain growth kinetics obtained from the experiment. The results of the application of the EDB model to the grain growth during continuous heating of a beta titanium alloy correlated well with experimental data. In order to acquire the grain growth kinetics from the experiment, a new mathematical method was developed and utilized to analyze the experimental data on isothermal grain growth. Grain growth in the HAZ of 0.2% Cu-Al alloy was successfully simulated using the EDB model combined with grain growth kinetics obtained from the experiment and measured thermal cycles from the welding process. The simulated grain size distribution in the HAZ was in good agreement with experimental results. The pinning effect of second phase particles on grain growth was also simulated in this work. The simulation results confirmed that by introducing the variable R, degree of contact between grain boundaries and second phase particles, the Zener pinning model can be modified as${D/ r} = {K/{Rf}}$where D is the pinned grain size, r the mean size of second phase particles, K a constant, f the area fraction (or the volume fraction in 3-D) of second phase.

  6. The Effects of Computer-Simulation Game Training on Participants' Opinions on Leadership Styles

    Science.gov (United States)

    Siewiorek, Anna; Gegenfurtner, Andreas; Lainema, Timo; Saarinen, Eeli; Lehtinen, Erno

    2013-01-01

    The objective of this study is to elucidate new information on the possibility of leadership training through business computer-simulation gaming in a virtual working context. In the study, a business-simulation gaming session was organised for graduate students ("n"?=?26). The participants played the simulation game in virtual teams…

  7. Inovation of the computer system for the WWER-440 simulator

    International Nuclear Information System (INIS)

    Schrumpf, L.

    1988-01-01

    The configuration of the WWER-440 simulator computer system consists of four SMEP computers. The basic data processing unit consists of two interlinked SM 52/11.M1 computers with 1 MB of main memory. This part of the computer system of the simulator controls the operation of the entire simulator, processes the programs of technology behavior simulation, of the unit information system and of other special systems, guarantees program support and the operation of the instructor's console. An SM 52/11 computer with 256 kB of main memory is connected to each unit. It is used as a communication unit for data transmission using the DASIO 600 interface. Semigraphic color displays are based on the microprocessor modules of the SM 50/40 and SM 53/10 kit supplemented with a modified TESLA COLOR 110 ST tv receiver. (J.B.). 1 fig

  8. The Effect of Computer Simulations on Acquisition of Knowledge and Cognitive Load: A Gender Perspective

    Science.gov (United States)

    Kaheru, Sam J.; Kriek, Jeanne

    2016-01-01

    A study on the effect of the use of computer simulations (CS) on the acquisition of knowledge and cognitive load was undertaken with 104 Grade 11 learners in four schools in rural South Africa on the physics topic geometrical optics. Owing to the lack of resources a teacher-centred approach was followed in the use of computer simulations. The…

  9. Radiotherapy Monte Carlo simulation using cloud computing technology.

    Science.gov (United States)

    Poole, C M; Cornelius, I; Trapp, J V; Langton, C M

    2012-12-01

    Cloud computing allows for vast computational resources to be leveraged quickly and easily in bursts as and when required. Here we describe a technique that allows for Monte Carlo radiotherapy dose calculations to be performed using GEANT4 and executed in the cloud, with relative simulation cost and completion time evaluated as a function of machine count. As expected, simulation completion time decreases as 1/n for n parallel machines, and relative simulation cost is found to be optimal where n is a factor of the total simulation time in hours. Using the technique, we demonstrate the potential usefulness of cloud computing as a solution for rapid Monte Carlo simulation for radiotherapy dose calculation without the need for dedicated local computer hardware as a proof of principal.

  10. Radiotherapy Monte Carlo simulation using cloud computing technology

    International Nuclear Information System (INIS)

    Poole, C.M.; Cornelius, I.; Trapp, J.V.; Langton, C.M.

    2012-01-01

    Cloud computing allows for vast computational resources to be leveraged quickly and easily in bursts as and when required. Here we describe a technique that allows for Monte Carlo radiotherapy dose calculations to be performed using GEANT4 and executed in the cloud, with relative simulation cost and completion time evaluated as a function of machine count. As expected, simulation completion time decreases as 1/n for n parallel machines, and relative simulation cost is found to be optimal where n is a factor of the total simulation time in hours. Using the technique, we demonstrate the potential usefulness of cloud computing as a solution for rapid Monte Carlo simulation for radiotherapy dose calculation without the need for dedicated local computer hardware as a proof of principal.

  11. Methodology of modeling and measuring computer architectures for plasma simulations

    Science.gov (United States)

    Wang, L. P. T.

    1977-01-01

    A brief introduction to plasma simulation using computers and the difficulties on currently available computers is given. Through the use of an analyzing and measuring methodology - SARA, the control flow and data flow of a particle simulation model REM2-1/2D are exemplified. After recursive refinements the total execution time may be greatly shortened and a fully parallel data flow can be obtained. From this data flow, a matched computer architecture or organization could be configured to achieve the computation bound of an application problem. A sequential type simulation model, an array/pipeline type simulation model, and a fully parallel simulation model of a code REM2-1/2D are proposed and analyzed. This methodology can be applied to other application problems which have implicitly parallel nature.

  12. A Study on the Effectiveness of the Manufacture of Compensator and Setup Position for Total Body Irradiation Using Computed Tomography-simulator's Images

    International Nuclear Information System (INIS)

    Lee, Woo Suk; Kim, Dae Sup; Park, Seong Ho; Yun, In Ha; Back, Geum Mun; Kim, Jeong Man

    2005-01-01

    We should use a computed tomography-simulator for the body measure and compensator manufacture process was practiced with TBI's positioning in process and to estimate the availability. Patient took position that lied down. and got picture through computed tomography-simulator. This picture transmitted to Somavision and measured about body measure point on the picture. Measurement was done with skin, and used the image to use measure the image about lungs. We decided thickness of compensator through value that was measured by the image. Also, We decided and confirmed position of compensator through image. Finally, We measured dosage with TLD in the treatment department. About thickness at body measure point. we could find difference of 1-2 cm relationship general measure and image measure. General measure and image measure of body length was seen difference of 3-4 cm. Also, we could paint first drawing of compensator through the image. The value of dose measurement used TLD on head, neck, axilla, chest(lungs inclusion), knee region were measured by 92-98% and abdomen, pelvis, inquinal region, feet region were measured by 102-109%. It was useful for TBI's positioning to use an image of computed tomography-simulator in the process. There was not that is difference of body thickness measure point, but measure about length was achieved definitely. Like this, manufacture of various compensator that consider body density if use image is available. Positioning of compensator could be done exactly, and produce easily without shape of compensator is courted Positioning in the treatment department could shortened overall 15 minute time. and reduce compensator manufacture time about 15 minutes.

  13. Computer Simulation of Angle-measuring System of Photoelectric Theodolite

    International Nuclear Information System (INIS)

    Zeng, L; Zhao, Z W; Song, S L; Wang, L T

    2006-01-01

    In this paper, a virtual test platform based on malfunction phenomena is designed, using the methods of computer simulation and numerical mask. It is used in the simulation training of angle-measuring system of photoelectric theodolite. Actual application proves that this platform supplies good condition for technicians making deep simulation training and presents a useful approach for the establishment of other large equipment simulation platforms

  14. Understanding Emergency Care Delivery Through Computer Simulation Modeling.

    Science.gov (United States)

    Laker, Lauren F; Torabi, Elham; France, Daniel J; Froehle, Craig M; Goldlust, Eric J; Hoot, Nathan R; Kasaie, Parastu; Lyons, Michael S; Barg-Walkow, Laura H; Ward, Michael J; Wears, Robert L

    2018-02-01

    In 2017, Academic Emergency Medicine convened a consensus conference entitled, "Catalyzing System Change through Health Care Simulation: Systems, Competency, and Outcomes." This article, a product of the breakout session on "understanding complex interactions through systems modeling," explores the role that computer simulation modeling can and should play in research and development of emergency care delivery systems. This article discusses areas central to the use of computer simulation modeling in emergency care research. The four central approaches to computer simulation modeling are described (Monte Carlo simulation, system dynamics modeling, discrete-event simulation, and agent-based simulation), along with problems amenable to their use and relevant examples to emergency care. Also discussed is an introduction to available software modeling platforms and how to explore their use for research, along with a research agenda for computer simulation modeling. Through this article, our goal is to enhance adoption of computer simulation, a set of methods that hold great promise in addressing emergency care organization and design challenges. © 2017 by the Society for Academic Emergency Medicine.

  15. Computer simulation of sensitization in stainless steels

    Energy Technology Data Exchange (ETDEWEB)

    Logan, R W

    1983-12-20

    Stainless steel containers are prime candidates for the containment of nuclear waste in tuff rock. The thermal history of a container involves exposure to temperatures of 500 to 600/sup 0/C when it is welded and possibly filled with molten waste glass, followed by hundreds of years exposure in the 100 to 300/sup 0/C range. The problems of short- and long-term sensitization in stainless steels have been addressed by two computer programs. The TTS program uses classical nucleation and growth theory plus experimental input to predict the onset of precipitation or sensitization under complex thermal histories. The FEMGB program uses quadratic finite-element methods to analyze diffusion processes and chromium depletion during precipitate growth. The results of studies using both programs indicate that sensitization should not be a problem in any of the austenitic stainless steels considered. However, more precise information on the process thermal cycles, especially during welding of the container, is needed. Contributions from dislocation pipe diffusion could promote long-term low-temperature sensitization.

  16. Humans, computers and wizards human (simulated) computer interaction

    CERN Document Server

    Fraser, Norman; McGlashan, Scott; Wooffitt, Robin

    2013-01-01

    Using data taken from a major European Union funded project on speech understanding, the SunDial project, this book considers current perspectives on human computer interaction and argues for the value of an approach taken from sociology which is based on conversation analysis.

  17. Coupling Computer-Aided Process Simulation and ...

    Science.gov (United States)

    A methodology is described for developing a gate-to-gate life cycle inventory (LCI) of a chemical manufacturing process to support the application of life cycle assessment in the design and regulation of sustainable chemicals. The inventories were derived by first applying process design and simulation of develop a process flow diagram describing the energy and basic material flows of the system. Additional techniques developed by the U.S. Environmental Protection Agency for estimating uncontrolled emissions from chemical processing equipment were then applied to obtain a detailed emission profile for the process. Finally, land use for the process was estimated using a simple sizing model. The methodology was applied to a case study of acetic acid production based on the Cativa tm process. The results reveal improvements in the qualitative LCI for acetic acid production compared to commonly used databases and top-down methodologies. The modeling techniques improve the quantitative LCI results for inputs and uncontrolled emissions. With provisions for applying appropriate emission controls, the proposed method can provide an estimate of the LCI that can be used for subsequent life cycle assessments. As part of its mission, the Agency is tasked with overseeing the use of chemicals in commerce. This can include consideration of a chemical's potential impact on health and safety, resource conservation, clean air and climate change, clean water, and sustainable

  18. Tolerance analysis through computational imaging simulations

    Science.gov (United States)

    Birch, Gabriel C.; LaCasse, Charles F.; Stubbs, Jaclynn J.; Dagel, Amber L.; Bradley, Jon

    2017-11-01

    The modeling and simulation of non-traditional imaging systems require holistic consideration of the end-to-end system. We demonstrate this approach through a tolerance analysis of a random scattering lensless imaging system.

  19. Computed radiography simulation using the Monte Carlo code MCNPX

    International Nuclear Information System (INIS)

    Correa, S.C.A.; Souza, E.M.; Silva, A.X.; Lopes, R.T.

    2009-01-01

    Simulating x-ray images has been of great interest in recent years as it makes possible an analysis of how x-ray images are affected owing to relevant operating parameters. In this paper, a procedure for simulating computed radiographic images using the Monte Carlo code MCNPX is proposed. The sensitivity curve of the BaFBr image plate detector as well as the characteristic noise of a 16-bit computed radiography system were considered during the methodology's development. The results obtained confirm that the proposed procedure for simulating computed radiographic images is satisfactory, as it allows obtaining results comparable with experimental data. (author)

  20. Large-scale computing techniques for complex system simulations

    CERN Document Server

    Dubitzky, Werner; Schott, Bernard

    2012-01-01

    Complex systems modeling and simulation approaches are being adopted in a growing number of sectors, including finance, economics, biology, astronomy, and many more. Technologies ranging from distributed computing to specialized hardware are explored and developed to address the computational requirements arising in complex systems simulations. The aim of this book is to present a representative overview of contemporary large-scale computing technologies in the context of complex systems simulations applications. The intention is to identify new research directions in this field and

  1. Computer Simulation Performed for Columbia Project Cooling System

    Science.gov (United States)

    Ahmad, Jasim

    2005-01-01

    This demo shows a high-fidelity simulation of the air flow in the main computer room housing the Columbia (10,024 intel titanium processors) system. The simulation asseses the performance of the cooling system and identified deficiencies, and recommended modifications to eliminate them. It used two in house software packages on NAS supercomputers: Chimera Grid tools to generate a geometric model of the computer room, OVERFLOW-2 code for fluid and thermal simulation. This state-of-the-art technology can be easily extended to provide a general capability for air flow analyses on any modern computer room. Columbia_CFD_black.tiff

  2. Computed radiography simulation using the Monte Carlo code MCNPX

    Energy Technology Data Exchange (ETDEWEB)

    Correa, S.C.A. [Programa de Engenharia Nuclear/COPPE, Universidade Federal do Rio de Janeiro, Ilha do Fundao, Caixa Postal 68509, 21945-970, Rio de Janeiro, RJ (Brazil); Centro Universitario Estadual da Zona Oeste (CCMAT)/UEZO, Av. Manuel Caldeira de Alvarenga, 1203, Campo Grande, 23070-200, Rio de Janeiro, RJ (Brazil); Souza, E.M. [Programa de Engenharia Nuclear/COPPE, Universidade Federal do Rio de Janeiro, Ilha do Fundao, Caixa Postal 68509, 21945-970, Rio de Janeiro, RJ (Brazil); Silva, A.X., E-mail: ademir@con.ufrj.b [PEN/COPPE-DNC/Poli CT, Universidade Federal do Rio de Janeiro, Ilha do Fundao, Caixa Postal 68509, 21945-970, Rio de Janeiro, RJ (Brazil); Cassiano, D.H. [Instituto de Radioprotecao e Dosimetria/CNEN Av. Salvador Allende, s/n, Recreio, 22780-160, Rio de Janeiro, RJ (Brazil); Lopes, R.T. [Programa de Engenharia Nuclear/COPPE, Universidade Federal do Rio de Janeiro, Ilha do Fundao, Caixa Postal 68509, 21945-970, Rio de Janeiro, RJ (Brazil)

    2010-09-15

    Simulating X-ray images has been of great interest in recent years as it makes possible an analysis of how X-ray images are affected owing to relevant operating parameters. In this paper, a procedure for simulating computed radiographic images using the Monte Carlo code MCNPX is proposed. The sensitivity curve of the BaFBr image plate detector as well as the characteristic noise of a 16-bit computed radiography system were considered during the methodology's development. The results obtained confirm that the proposed procedure for simulating computed radiographic images is satisfactory, as it allows obtaining results comparable with experimental data.

  3. Grid desktop computing for constructive battlefield simulation

    OpenAIRE

    Repetto, Alejandro Juan Manuel

    2009-01-01

    It is a fact that gaming technology is a state-of-the-art tool for military training, not only in low level simulations, e.g. flight training simulations, but also for strategic and tactical training. It is also a fact that users of this kind of technologies require increasingly more realistic representations of the real world. This functional reality threatens both hardware and software capabilities, making almost impossible to keep up with the requirements. Many optimizations have been perf...

  4. Real-time parallel processing of grammatical structure in the fronto-striatal system: a recurrent network simulation study using reservoir computing.

    Science.gov (United States)

    Hinaut, Xavier; Dominey, Peter Ford

    2013-01-01

    Sentence processing takes place in real-time. Previous words in the sentence can influence the processing of the current word in the timescale of hundreds of milliseconds. Recent neurophysiological studies in humans suggest that the fronto-striatal system (frontal cortex, and striatum--the major input locus of the basal ganglia) plays a crucial role in this process. The current research provides a possible explanation of how certain aspects of this real-time processing can occur, based on the dynamics of recurrent cortical networks, and plasticity in the cortico-striatal system. We simulate prefrontal area BA47 as a recurrent network that receives on-line input about word categories during sentence processing, with plastic connections between cortex and striatum. We exploit the homology between the cortico-striatal system and reservoir computing, where recurrent frontal cortical networks are the reservoir, and plastic cortico-striatal synapses are the readout. The system is trained on sentence-meaning pairs, where meaning is coded as activation in the striatum corresponding to the roles that different nouns and verbs play in the sentences. The model learns an extended set of grammatical constructions, and demonstrates the ability to generalize to novel constructions. It demonstrates how early in the sentence, a parallel set of predictions are made concerning the meaning, which are then confirmed or updated as the processing of the input sentence proceeds. It demonstrates how on-line responses to words are influenced by previous words in the sentence, and by previous sentences in the discourse, providing new insight into the neurophysiology of the P600 ERP scalp response to grammatical complexity. This demonstrates that a recurrent neural network can decode grammatical structure from sentences in real-time in order to generate a predictive representation of the meaning of the sentences. This can provide insight into the underlying mechanisms of human cortico

  5. How Many Times Should One Run a Computational Simulation?

    DEFF Research Database (Denmark)

    Seri, Raffaello; Secchi, Davide

    2017-01-01

    This chapter is an attempt to answer the question “how many runs of a computational simulation should one do,” and it gives an answer by means of statistical analysis. After defining the nature of the problem and which types of simulation are mostly affected by it, the article introduces statisti......This chapter is an attempt to answer the question “how many runs of a computational simulation should one do,” and it gives an answer by means of statistical analysis. After defining the nature of the problem and which types of simulation are mostly affected by it, the article introduces...

  6. A real-time computer simulation of nuclear simulator software using standard PC hardware and linux environments

    International Nuclear Information System (INIS)

    Cha, K. H.; Kweon, K. C.

    2001-01-01

    A feasibility study, which standard PC hardware and Real-Time Linux are applied to real-time computer simulation of software for a nuclear simulator, is presented in this paper. The feasibility prototype was established with the existing software in the Compact Nuclear Simulator (CNS). Throughout the real-time implementation in the feasibility prototype, we has identified that the approach can enable the computer-based predictive simulation to be approached, due to both the remarkable improvement in real-time performance and the less efforts for real-time implementation under standard PC hardware and Real-Time Linux envrionments

  7. Simulation of computed tomography dose based on voxel phantom

    Science.gov (United States)

    Liu, Chunyu; Lv, Xiangbo; Li, Zhaojun

    2017-01-01

    Computed Tomography (CT) is one of the preferred and the most valuable imaging tool used in diagnostic radiology, which provides a high-quality cross-sectional image of the body. It still causes higher doses of radiation to patients comparing to the other radiological procedures. The Monte-Carlo method is appropriate for estimation of the radiation dose during the CT examinations. The simulation of the Computed Tomography Dose Index (CTDI) phantom was developed in this paper. Under a similar conditions used in physical measurements, dose profiles were calculated and compared against the measured values that were reported. The results demonstrate a good agreement between the calculated and the measured doses. From different CT exam simulations using the voxel phantom, the highest absorbed dose was recorded for the lung, the brain, the bone surface. A comparison between the different scan type shows that the effective dose for a chest scan is the highest one, whereas the effective dose values during abdomen and pelvis scan are very close, respectively. The lowest effective dose resulted from the head scan. Although, the dose in CT is related to various parameters, such as the tube current, exposure time, beam energy, slice thickness and patient size, this study demonstrates that the MC simulation is a useful tool to accurately estimate the dose delivered to any specific organs for patients undergoing the CT exams and can be also a valuable technique for the design and the optimization of the CT x-ray source.

  8. Computer simulation of atomic collision processes in solids

    International Nuclear Information System (INIS)

    Robinson, M.T.

    1992-11-01

    Computer simulation is a major tool for studying the interactions of swift ions with solids which underlie processes such as particle backscattering, ion implantation, radiation damage, and sputtering. Numerical models are classed as molecular dynamics or binary collision models, along with some intermediate types. Binary collision models are divided into those for crystalline targets and those for structureless ones. The foundations of such models are reviewed, including interatomic potentials, electron excitations, and relationships among the various types of codes. Some topics of current interest are summarized

  9. Computer simulations of the activity of RND efflux pumps.

    Science.gov (United States)

    Vargiu, Attilio Vittorio; Ramaswamy, Venkata Krishnan; Malloci, Giuliano; Malvacio, Ivana; Atzori, Alessio; Ruggerone, Paolo

    2018-01-31

    The putative mechanism by which bacterial RND-type multidrug efflux pumps recognize and transport their substrates is a complex and fascinating enigma of structural biology. How a single protein can recognize a huge number of unrelated compounds and transport them through one or just a few mechanisms is an amazing feature not yet completely unveiled. The appearance of cooperativity further complicates the understanding of structure-dynamics-activity relationships in these complex machineries. Experimental techniques may have limited access to the molecular determinants and to the energetics of key processes regulating the activity of these pumps. Computer simulations are a complementary approach that can help unveil these features and inspire new experiments. Here we review recent computational studies that addressed the various molecular processes regulating the activity of RND efflux pumps. Copyright © 2018 The Authors. Published by Elsevier Masson SAS.. All rights reserved.

  10. Computer simulation of aqueous Na-Cl electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Hummer, G. [Los Alamos National Lab., NM (United States); Soumpasis, D.M. [Max-Planck-Institut fuer Biophysikalische Chemie (Karl-Friedrich-Bonhoeffer-Institut), Goettingen (Germany); Neumann, M. [Vienna Univ. (Austria). Inst. fuer Experimentalphysik

    1993-11-01

    Equilibrium structure of aqueous Na-Cl electrolytes between 1 and 5 mol/l is studied by means of molecular dynamics computer simulation using interaction site descriptions of water and ionic components. Electrostatic interactions are treated both with the newly developed charged-clouds scheme and with Ewald summation. In the case of a 5 mol/l electrolyte, the results for pair correlations obtained by the two methods are in excellent agreement. However, the charged-clouds technique is much faster than Ewald summation and makes simulations at lower salt concentrations feasible. It is found that both ion-water and ion-ion correlation functions depend only weakly on the ionic concentration. Sodium and chloride ions exhibit only a negligible tendency to form contact pairs. In particular, no chloride ion pairs in contact are observed.

  11. Computer simulation of aqueous Na-Cl electrolytes

    International Nuclear Information System (INIS)

    Hummer, G.; Soumpasis, D.M.; Neumann, M.

    1993-01-01

    Equilibrium structure of aqueous Na-Cl electrolytes between 1 and 5 mol/l is studied by means of molecular dynamics computer simulation using interaction site descriptions of water and ionic components. Electrostatic interactions are treated both with the newly developed charged-clouds scheme and with Ewald summation. In the case of a 5 mol/l electrolyte, the results for pair correlations obtained by the two methods are in excellent agreement. However, the charged-clouds technique is much faster than Ewald summation and makes simulations at lower salt concentrations feasible. It is found that both ion-water and ion-ion correlation functions depend only weakly on the ionic concentration. Sodium and chloride ions exhibit only a negligible tendency to form contact pairs. In particular, no chloride ion pairs in contact are observed

  12. The Effects of 3D Computer Simulation on Biology Students' Achievement and Memory Retention

    Science.gov (United States)

    Elangovan, Tavasuria; Ismail, Zurida

    2014-01-01

    A quasi experimental study was conducted for six weeks to determine the effectiveness of two different 3D computer simulation based teaching methods, that is, realistic simulation and non-realistic simulation on Form Four Biology students' achievement and memory retention in Perak, Malaysia. A sample of 136 Form Four Biology students in Perak,…

  13. Computer simulations of liquid crystals: Defects, deformations and dynamics

    Science.gov (United States)

    Billeter, Jeffrey Lee

    1999-11-01

    Computer simulations play an increasingly important role in investigating fundamental issues in the physics of liquid crystals. Presented here are the results of three projects which utilize the unique power of simulations to probe questions which neither theory nor experiment can adequately answer. Throughout, we use the (generalized) Gay-Berne model, a widely-used phenomenological potential which captures the essential features of the anisotropic mesogen shapes and interactions. First, we used a Molecular Dynamics simulation with 65536 Gay-Berne particles to study the behaviors of topological defects in a quench from the isotropic to the nematic phase. Twist disclination loops were the dominant defects, and we saw evidence for dynamical scaling. We observed the loops separating, combining and collapsing, and we also observed numerous non-singular type-1 lines which appeared to be intimately involved with many of the loop processes. Second, we used a Molecular Dynamics simulation of a sphere embedded in a system of 2048 Gay-Berne particles to study the effects of radial anchoring of the molecules at the sphere's surface. A saturn ring defect configuration was observed, and the ring caused a driven sphere (modelling the falling ball experiment) to experience an increased resistance as it moved through the nematic. Deviations from a linear relationship between the driving force and the terminal speed are attributed to distortions of the saturn ring which we observed. The existence of the saturn ring confirms theoretical predictions for small spheres. Finally, we constructed a model for wedge-shaped molecules and used a linear response approach in a Monte Carlo simulation to investigate the flexoelectric behavior of a system of 256 such wedges. Novel potential models as well as novel analytical and visualization techniques were developed for these projects. Once again, the emphasis throughout was to investigate questions which simulations alone can adequately answer.

  14. Computational strategies for three-dimensional flow simulations on distributed computer systems

    Science.gov (United States)

    Sankar, Lakshmi N.; Weed, Richard A.

    1995-08-01

    This research effort is directed towards an examination of issues involved in porting large computational fluid dynamics codes in use within the industry to a distributed computing environment. This effort addresses strategies for implementing the distributed computing in a device independent fashion and load balancing. A flow solver called TEAM presently in use at Lockheed Aeronautical Systems Company was acquired to start this effort. The following tasks were completed: (1) The TEAM code was ported to a number of distributed computing platforms including a cluster of HP workstations located in the School of Aerospace Engineering at Georgia Tech; a cluster of DEC Alpha Workstations in the Graphics visualization lab located at Georgia Tech; a cluster of SGI workstations located at NASA Ames Research Center; and an IBM SP-2 system located at NASA ARC. (2) A number of communication strategies were implemented. Specifically, the manager-worker strategy and the worker-worker strategy were tested. (3) A variety of load balancing strategies were investigated. Specifically, the static load balancing, task queue balancing and the Crutchfield algorithm were coded and evaluated. (4) The classical explicit Runge-Kutta scheme in the TEAM solver was replaced with an LU implicit scheme. And (5) the implicit TEAM-PVM solver was extensively validated through studies of unsteady transonic flow over an F-5 wing, undergoing combined bending and torsional motion. These investigations are documented in extensive detail in the dissertation, 'Computational Strategies for Three-Dimensional Flow Simulations on Distributed Computing Systems', enclosed as an appendix.

  15. Computational strategies for three-dimensional flow simulations on distributed computer systems

    Science.gov (United States)

    Sankar, Lakshmi N.; Weed, Richard A.

    1995-01-01

    This research effort is directed towards an examination of issues involved in porting large computational fluid dynamics codes in use within the industry to a distributed computing environment. This effort addresses strategies for implementing the distributed computing in a device independent fashion and load balancing. A flow solver called TEAM presently in use at Lockheed Aeronautical Systems Company was acquired to start this effort. The following tasks were completed: (1) The TEAM code was ported to a number of distributed computing platforms including a cluster of HP workstations located in the School of Aerospace Engineering at Georgia Tech; a cluster of DEC Alpha Workstations in the Graphics visualization lab located at Georgia Tech; a cluster of SGI workstations located at NASA Ames Research Center; and an IBM SP-2 system located at NASA ARC. (2) A number of communication strategies were implemented. Specifically, the manager-worker strategy and the worker-worker strategy were tested. (3) A variety of load balancing strategies were investigated. Specifically, the static load balancing, task queue balancing and the Crutchfield algorithm were coded and evaluated. (4) The classical explicit Runge-Kutta scheme in the TEAM solver was replaced with an LU implicit scheme. And (5) the implicit TEAM-PVM solver was extensively validated through studies of unsteady transonic flow over an F-5 wing, undergoing combined bending and torsional motion. These investigations are documented in extensive detail in the dissertation, 'Computational Strategies for Three-Dimensional Flow Simulations on Distributed Computing Systems', enclosed as an appendix.

  16. Comparison of radiographic technique by computer simulation

    International Nuclear Information System (INIS)

    Brochi, M.A.C.; Ghilardi Neto, T.

    1989-01-01

    A computational algorithm to compare radiographic techniques (KVp, mAs and filters) is developed based in the fixation of parameters that defines the images, such as optical density and constrast. Before the experience, the results were used in a radiography of thorax. (author) [pt

  17. Understanding Islamist political violence through computational social simulation

    Energy Technology Data Exchange (ETDEWEB)

    Watkins, Jennifer H [Los Alamos National Laboratory; Mackerrow, Edward P [Los Alamos National Laboratory; Patelli, Paolo G [Los Alamos National Laboratory; Eberhardt, Ariane [Los Alamos National Laboratory; Stradling, Seth G [Los Alamos National Laboratory

    2008-01-01

    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 the 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.

  18. Advanced Simulation and Computing Business Plan

    Energy Technology Data Exchange (ETDEWEB)

    Rummel, E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-07-09

    To maintain a credible nuclear weapons program, the National Nuclear Security Administration’s (NNSA’s) Office of Defense Programs (DP) needs to make certain that the capabilities, tools, and expert staff are in place and are able to deliver validated assessments. This requires a complete and robust simulation environment backed by an experimental program to test ASC Program models. This ASC Business Plan document encapsulates a complex set of elements, each of which is essential to the success of the simulation component of the Nuclear Security Enterprise. The ASC Business Plan addresses the hiring, mentoring, and retaining of programmatic technical staff responsible for building the simulation tools of the nuclear security complex. The ASC Business Plan describes how the ASC Program engages with industry partners—partners upon whom the ASC Program relies on for today’s and tomorrow’s high performance architectures. Each piece in this chain is essential to assure policymakers, who must make decisions based on the results of simulations, that they are receiving all the actionable information they need.

  19. Role of computational efficiency in process simulation

    Directory of Open Access Journals (Sweden)

    Kurt Strand

    1989-07-01

    Full Text Available It is demonstrated how efficient numerical algorithms may be combined to yield a powerful environment for analysing and simulating dynamic systems. The importance of using efficient numerical algorithms is emphasized and demonstrated through examples from the petrochemical industry.

  20. Computer simulation of confined liquid crystal dynamics

    International Nuclear Information System (INIS)

    Webster, R.E.

    2001-11-01

    Results are presented from a series of simulations undertaken to determine whether dynamic processes observed in device-scale liquid crystal cells confined between aligning substrates can be simulated in a molecular system using parallel molecular dynamics of the Gay-Berne model. In a nematic cell, on removal of an aligning field, initial near-surface director relaxation can induce flow, termed 'backflow' in the liquid. This, in turn, can cause director rotation, termed 'orientational kickback', in the centre of the cell. Simulations are performed of the relaxation in nematic systems confined between substrates with a common alignment on removal of an aligning field. Results show /that relaxation timescales of medium sized systems are accessible. Following this, simulations are performed of relaxation in hybrid aligned nematic systems, where each surface induces a different alignment. Flow patterns associated with director reorientation are observed. The damped oscillatory nature of the relaxation process suggests that the behaviour of these systems is dominated by orientational elastic forces and that the observed director motion and flow do not correspond to the macroscopic processes of backflow and kickback. Chevron structures can occur in confined smectic cells which develop two domains of equal and opposite layer tilt on cooling. Layer lilting is thought to be caused by a need to reconcile a mismatch between bulk and surface smectic layer spacing. Here, simulations are performed of the formation of structures in confined smectic systems where layer tilt is induced by an imposed surface pretilt. Results show that bookshelf, chevron and tilled layer structures are observable in a confined Gay-Berne system. The formation and stability of the chevron structure are shown to be influenced by surface slip. (author)

  1. Computer simulation of confined liquid crystal dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Webster, R.E

    2001-11-01

    Results are presented from a series of simulations undertaken to determine whether dynamic processes observed in device-scale liquid crystal cells confined between aligning substrates can be simulated in a molecular system using parallel molecular dynamics of the Gay-Berne model. In a nematic cell, on removal of an aligning field, initial near-surface director relaxation can induce flow, termed 'backflow' in the liquid. This, in turn, can cause director rotation, termed 'orientational kickback', in the centre of the cell. Simulations are performed of the relaxation in nematic systems confined between substrates with a common alignment on removal of an aligning field. Results show /that relaxation timescales of medium sized systems are accessible. Following this, simulations are performed of relaxation in hybrid aligned nematic systems, where each surface induces a different alignment. Flow patterns associated with director reorientation are observed. The damped oscillatory nature of the relaxation process suggests that the behaviour of these systems is dominated by orientational elastic forces and that the observed director motion and flow do not correspond to the macroscopic processes of backflow and kickback. Chevron structures can occur in confined smectic cells which develop two domains of equal and opposite layer tilt on cooling. Layer lilting is thought to be caused by a need to reconcile a mismatch between bulk and surface smectic layer spacing. Here, simulations are performed of the formation of structures in confined smectic systems where layer tilt is induced by an imposed surface pretilt. Results show that bookshelf, chevron and tilled layer structures are observable in a confined Gay-Berne system. The formation and stability of the chevron structure are shown to be influenced by surface slip. (author)

  2. Launch Site Computer Simulation and its Application to Processes

    Science.gov (United States)

    Sham, Michael D.

    1995-01-01

    This paper provides an overview of computer simulation, the Lockheed developed STS Processing Model, and the application of computer simulation to a wide range of processes. The STS Processing Model is an icon driven model that uses commercial off the shelf software and a Macintosh personal computer. While it usually takes one year to process and launch 8 space shuttles, with the STS Processing Model this process is computer simulated in about 5 minutes. Facilities, orbiters, or ground support equipment can be added or deleted and the impact on launch rate, facility utilization, or other factors measured as desired. This same computer simulation technology can be used to simulate manufacturing, engineering, commercial, or business processes. The technology does not require an 'army' of software engineers to develop and operate, but instead can be used by the layman with only a minimal amount of training. Instead of making changes to a process and realizing the results after the fact, with computer simulation, changes can be made and processes perfected before they are implemented.

  3. Quantum chemistry simulation on quantum computers: theories and experiments.

    Science.gov (United States)

    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.

  4. Nonlinear simulations with and computational issues for NIMROD

    International Nuclear Information System (INIS)

    Sovinec, C.R.

    1998-01-01

    The NIMROD (Non-Ideal Magnetohydrodynamics with Rotation, Open Discussion) code development project was commissioned by the US Department of Energy in February, 1996 to provide the fusion research community with a computational tool for studying low-frequency behavior in experiments. Specific problems of interest include the neoclassical evolution of magnetic islands and the nonlinear behavior of tearing modes in the presence of rotation and nonideal walls in tokamaks; they also include topics relevant to innovative confinement concepts such as magnetic turbulence. Besides having physics models appropriate for these phenomena, an additional requirement is the ability to perform the computations in realistic geometries. The NIMROD Team is using contemporary management and computational methods to develop a computational tool for investigating low-frequency behavior in plasma fusion experiments. The authors intend to make the code freely available, and are taking steps to make it as easy to learn and use as possible. An example application for NIMROD is the nonlinear toroidal RFP simulation--the first in a series to investigate how toroidal geometry affects MHD activity in RFPs. Finally, the most important issue facing the project is execution time, and they are exploring better matrix solvers and a better parallel decomposition to address this

  5. Nonlinear simulations with and computational issues for NIMROD

    Energy Technology Data Exchange (ETDEWEB)

    Sovinec, C.R. [Los Alamos National Lab., NM (United States)

    1998-12-31

    The NIMROD (Non-Ideal Magnetohydrodynamics with Rotation, Open Discussion) code development project was commissioned by the US Department of Energy in February, 1996 to provide the fusion research community with a computational tool for studying low-frequency behavior in experiments. Specific problems of interest include the neoclassical evolution of magnetic islands and the nonlinear behavior of tearing modes in the presence of rotation and nonideal walls in tokamaks; they also include topics relevant to innovative confinement concepts such as magnetic turbulence. Besides having physics models appropriate for these phenomena, an additional requirement is the ability to perform the computations in realistic geometries. The NIMROD Team is using contemporary management and computational methods to develop a computational tool for investigating low-frequency behavior in plasma fusion experiments. The authors intend to make the code freely available, and are taking steps to make it as easy to learn and use as possible. An example application for NIMROD is the nonlinear toroidal RFP simulation--the first in a series to investigate how toroidal geometry affects MHD activity in RFPs. Finally, the most important issue facing the project is execution time, and they are exploring better matrix solvers and a better parallel decomposition to address this.

  6. On Architectural Acoustics Design using Computer Simulation

    DEFF Research Database (Denmark)

    Schmidt, Anne Marie Due; Kirkegaard, Poul Henning

    2004-01-01

    The acoustical quality of a given building, or space within the building, is highly dependent on the architectural design. Architectural acoustics design has in the past been based on simple design rules. However, with a growing complexity in the architectural acoustic and the emergence of potent...... room acoustic simulation programs it is now possible to subjectively analyze and evaluate acoustic properties prior to the actual construction of a facility. With the right tools applied, the acoustic design can become an integrated part of the architectural design process. The aim of the present paper...... this information is discussed. The conclusion of the paper is that the application of acoustical simulation programs is most beneficial in the last of three phases but that an application of the program to the two first phases would be preferable and possible with an improvement of the interface of the program....

  7. Computer Simulation of Turbulent Reactive Gas Dynamics

    Directory of Open Access Journals (Sweden)

    Bjørn H. Hjertager

    1984-10-01

    Full Text Available A simulation procedure capable of handling transient compressible flows involving combustion is presented. The method uses the velocity components and pressure as primary flow variables. The differential equations governing the flow are discretized by integration over control volumes. The integration is performed by application of up-wind differencing in a staggered grid system. The solution procedure is an extension of the SIMPLE-algorithm accounting for compressibility effects.

  8. Computer simulation of pitting potential measurements

    International Nuclear Information System (INIS)

    Laycock, N.J.; Noh, J.S.; White, S.P.; Krouse, D.P.

    2005-01-01

    A deterministic model for the growth of single pits in stainless steel has been combined with a purely stochastic model of pit nucleation. Monte-Carlo simulations have been used to compare the predictions of this model with potentiodynamic experimental measurements of the pitting potential. The quantitative agreement between model and experiment is reasonable for both 304 and 316 stainless steel, and the effects of varying surface roughness, solution chloride concentration and potential sweep rate have been considered

  9. Extreme Scale Computing Studies

    Science.gov (United States)

    2010-12-01

    systems that would fall under the Exascale rubric . In this chapter, we first discuss the attributes by which achievement of the label “Exascale” may be...Carrington, and E. Strohmaier. A Genetic Algorithms Approach to Modeling the Performance of Memory-bound Computations. Reno, NV, November 2007. ACM/IEEE... genetic stochasticity (random mating, mutation, etc). Outcomes are thus stochastic as well, and ecologists wish to ask questions like, “What is the

  10. MAPPS (Maintenance Personnel Performance Simulation): a computer simulation model for human reliability analysis

    International Nuclear Information System (INIS)

    Knee, H.E.; Haas, P.M.

    1985-01-01

    A computer model has been developed, sensitivity tested, and evaluated capable of generating reliable estimates of human performance measures in the nuclear power plant (NPP) maintenance context. The model, entitled MAPPS (Maintenance Personnel Performance Simulation), is of the simulation type and is task-oriented. It addresses a number of person-machine, person-environment, and person-person variables and is capable of providing the user with a rich spectrum of important performance measures including mean time for successful task performance by a maintenance team and maintenance team probability of task success. These two measures are particularly important for input to probabilistic risk assessment (PRA) studies which were the primary impetus for the development of MAPPS. The simulation nature of the model along with its generous input parameters and output variables allows its usefulness to extend beyond its input to PRA

  11. Computational fluid dynamics (CFD) simulation of hot air flow ...

    African Journals Online (AJOL)

    Computational Fluid Dynamics simulation of air flow distribution, air velocity and pressure field pattern as it will affect moisture transient in a cabinet tray dryer is performed using SolidWorks Flow Simulation (SWFS) 2014 SP 4.0 program. The model used for the drying process in this experiment was designed with Solid ...

  12. Computer simulation of the NASA water vapor electrolysis reactor

    Science.gov (United States)

    Bloom, A. M.

    1974-01-01

    The water vapor electrolysis (WVE) reactor is a spacecraft waste reclamation system for extended-mission manned spacecraft. The WVE reactor's raw material is water, its product oxygen. A computer simulation of the WVE operational processes provided the data required for an optimal design of the WVE unit. The simulation process was implemented with the aid of a FORTRAN IV routine.

  13. Simulation of Robot Kinematics Using Interactive Computer Graphics.

    Science.gov (United States)

    Leu, M. C.; Mahajan, R.

    1984-01-01

    Development of a robot simulation program based on geometric transformation softwares available in most computer graphics systems and program features are described. The program can be extended to simulate robots coordinating with external devices (such as tools, fixtures, conveyors) using geometric transformations to describe the…

  14. Simulation of quantum computation : A deterministic event-based approach

    NARCIS (Netherlands)

    Michielsen, K; De Raedt, K; De Raedt, H

    We demonstrate that locally connected networks of machines that have primitive learning capabilities can be used to perform a deterministic, event-based simulation of quantum computation. We present simulation results for basic quantum operations such as the Hadamard and the controlled-NOT gate, and

  15. Simulation of Quantum Computation : A Deterministic Event-Based Approach

    NARCIS (Netherlands)

    Michielsen, K.; Raedt, K. De; Raedt, H. De

    2005-01-01

    We demonstrate that locally connected networks of machines that have primitive learning capabilities can be used to perform a deterministic, event-based simulation of quantum computation. We present simulation results for basic quantum operations such as the Hadamard and the controlled-NOT gate, and

  16. Computer simulation system of neural PID control on nuclear reactor

    International Nuclear Information System (INIS)

    Chen Yuzhong; Yang Kaijun; Shen Yongping

    2001-01-01

    Neural network proportional integral differential (PID) controller on nuclear reactor is designed, and the control process is simulated by computer. The simulation result show that neutral network PID controller can automatically adjust its parameter to ideal state, and good control result can be gotten in reactor control process

  17. Investigating the Effectiveness of Computer Simulations for Chemistry Learning

    Science.gov (United States)

    Plass, Jan L.; Milne, Catherine; Homer, Bruce D.; Schwartz, Ruth N.; Hayward, Elizabeth O.; Jordan, Trace; Verkuilen, Jay; Ng, Florrie; Wang, Yan; Barrientos, Juan

    2012-01-01

    Are well-designed computer simulations an effective tool to support student understanding of complex concepts in chemistry when integrated into high school science classrooms? We investigated scaling up the use of a sequence of simulations of kinetic molecular theory and associated topics of diffusion, gas laws, and phase change, which we designed…

  18. Computer simulations of long-time tails: what's new?

    NARCIS (Netherlands)

    Hoef, van der M.A.; Frenkel, D.

    1995-01-01

    Twenty five years ago Alder and Wainwright discovered, by simulation, the 'long-time tails' in the velocity autocorrelation function of a single particle in fluid [1]. Since then, few qualitatively new results on long-time tails have been obtained by computer simulations. However, within the

  19. Factors cost effectively improved using computer simulations of ...

    African Journals Online (AJOL)

    LPhidza

    effectively managed using computer simulations in semi-arid conditions pertinent to much of sub-Saharan Africa. ... small scale farmers to obtain optimal crop yields thus ensuring their food security and livelihood is ... those that simultaneously incorporate and simulate processes involved throughout the course of crop ...

  20. Plant Closings and Capital Flight: A Computer-Assisted Simulation.

    Science.gov (United States)

    Warner, Stanley; Breitbart, Myrna M.

    1989-01-01

    A course at Hampshire College was designed to simulate the decision-making environment in which constituencies in a medium-sized city would respond to the closing and relocation of a major corporate plant. The project, constructed as a role simulation with a computer component, is described. (MLW)

  1. Computational fluid dynamics simulations and validations of results

    CSIR Research Space (South Africa)

    Sitek, MA

    2013-09-01

    Full Text Available Wind flow influence on a high-rise building is analyzed. The research covers full-scale tests, wind-tunnel experiments and numerical simulations. In the present paper computational model used in simulations is described and the results, which were...

  2. Computational fluid dynamics simulations of light water reactor flows

    International Nuclear Information System (INIS)

    Tzanos, C.P.; Weber, D.P.

    1999-01-01

    Advances in computational fluid dynamics (CFD), turbulence simulation, and parallel computing have made feasible the development of three-dimensional (3-D) single-phase and two-phase flow CFD codes that can simulate fluid flow and heat transfer in realistic reactor geometries with significantly reduced reliance, especially in single phase, on empirical correlations. The objective of this work was to assess the predictive power and computational efficiency of a CFD code in the analysis of a challenging single-phase light water reactor problem, as well as to identify areas where further improvements are needed

  3. Digital control computer upgrade at the Cernavoda NPP simulator

    International Nuclear Information System (INIS)

    Ionescu, T.

    2006-01-01

    The Plant Process Computer equips some Nuclear Power Plants, like CANDU-600, with Centralized Control performed by an assembly of two computers known as Digital Control Computers (DCC) and working in parallel for safely driving of the plan at steady state and during normal maneuvers but also during abnormal transients when the plant is automatically steered to a safe state. The Centralized Control means both hardware and software with obligatory presence in the frame of the Full Scope Simulator and subject to changing its configuration with specific requirements during the plant and simulator life and covered by this subsection

  4. A review of computer-based simulators for ultrasound training.

    Science.gov (United States)

    Blum, Tobias; Rieger, Andreas; Navab, Nassir; Friess, Helmut; Martignoni, Marc

    2013-04-01

    Computer-based simulators for ultrasound training are a topic of recent interest. During the last 15 years, many different systems and methods have been proposed. This article provides an overview and classification of systems in this domain and a discussion of their advantages. Systems are classified and discussed according to the image simulation method, user interactions and medical applications. Computer simulation of ultrasound has one key advantage over traditional training. It enables novel training concepts, for example, through advanced visualization, case databases, and automatically generated feedback. Qualitative evaluations have mainly shown positive learning effects. However, few quantitative evaluations have been performed and long-term effects have to be examined.

  5. Computer based training simulator for Hunterston Nuclear Power Station

    International Nuclear Information System (INIS)

    Bowden, R.S.M.; Hacking, D.

    1978-01-01

    For reasons which are stated, the Hunterston-B nuclear power station automatic control system includes a manual over-ride facility. It is therefore essential for the station engineers to be trained to recognise and control all feasible modes of plant and logic malfunction. A training simulator has been built which consists of a replica of the shutdown monitoring panel in the Central Control Room and is controlled by a mini-computer. This paper highlights the computer aspects of the simulator and relevant derived experience, under the following headings: engineering background; shutdown sequence equipment; simulator equipment; features; software; testing; maintenance. (U.K.)

  6. Optimization of suspension smelting technology by computer simulation

    Energy Technology Data Exchange (ETDEWEB)

    Lilius, K; Jokilaakso, A; Ahokainen, T; Teppo, O; Yongxiang, Yang [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy

    1997-12-31

    An industrial-scale flash smelting furnace and waste-heat boilers have been modelled by using commercial Computational-Fluid-Dynamics software. The work has proceeded from cold gas flow to heat transfer, combustion, and two-phase flow simulations. In the present study, the modelling task has been divided into three sub-models: (1) the concentrate burner, (2) the flash smelting furnace (reaction shaft and uptake shaft), and (3) the waste-heat boiler. For the concentrate burner, the flow of the process gas and distribution air together with the concentrate or a feed mixture was simulated. Eulerian - Eulerian approach was used for the carrier gas-phase and the dispersed particle-phase. A large parametric study was carried out by simulating a laboratory scale burner with varying turbulence intensities and then extending the simulations to the industrial scale model. For the flash smelting furnace, the simulation work concentrated on gas and gas-particle two-phase flows, as well as the development of combustion model for sulphide concentrate particles. Both Eulerian and Lagrangian approaches have been utilised in describing the particle phase and the spreading of the concentrate in the reaction shaft as well as the particle tracks have been obtained. Combustion of sulphides was first approximated with gaseous combustion by using a built-in combustion model of the software. The real oxidation reactions of the concentrate particles were then coded as a user-defined sub-routine and that was tested with industrial flash smelting cases. For the waste-heat boiler, both flow and heat transfer calculations have been carried out for an old boiler and a modified boiler SULA 2 Research Programme; 23 refs.

  7. Optimization of suspension smelting technology by computer simulation

    Energy Technology Data Exchange (ETDEWEB)

    Lilius, K.; Jokilaakso, A.; Ahokainen, T.; Teppo, O.; Yang Yongxiang [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy

    1996-12-31

    An industrial-scale flash smelting furnace and waste-heat boilers have been modelled by using commercial Computational-Fluid-Dynamics software. The work has proceeded from cold gas flow to heat transfer, combustion, and two-phase flow simulations. In the present study, the modelling task has been divided into three sub-models: (1) the concentrate burner, (2) the flash smelting furnace (reaction shaft and uptake shaft), and (3) the waste-heat boiler. For the concentrate burner, the flow of the process gas and distribution air together with the concentrate or a feed mixture was simulated. Eulerian - Eulerian approach was used for the carrier gas-phase and the dispersed particle-phase. A large parametric study was carried out by simulating a laboratory scale burner with varying turbulence intensities and then extending the simulations to the industrial scale model. For the flash smelting furnace, the simulation work concentrated on gas and gas-particle two-phase flows, as well as the development of combustion model for sulphide concentrate particles. Both Eulerian and Lagrangian approaches have been utilised in describing the particle phase and the spreading of the concentrate in the reaction shaft as well as the particle tracks have been obtained. Combustion of sulphides was first approximated with gaseous combustion by using a built-in combustion model of the software. The real oxidation reactions of the concentrate particles were then coded as a user-defined sub-routine and that was tested with industrial flash smelting cases. For the waste-heat boiler, both flow and heat transfer calculations have been carried out for an old boiler and a modified boiler SULA 2 Research Programme; 23 refs.

  8. Computer simulation and automation of data processing

    International Nuclear Information System (INIS)

    Tikhonov, A.N.

    1981-01-01

    The principles of computerized simulation and automation of data processing are presented. The automized processing system is constructed according to the module-hierarchical principle. The main operating conditions of the system are as follows: preprocessing, installation analysis, interpretation, accuracy analysis and controlling parameters. The definition of the quasireal experiment permitting to plan the real experiment is given. It is pointed out that realization of the quasireal experiment by means of the computerized installation model with subsequent automized processing permits to scan the quantitative aspect of the system as a whole as well as provides optimal designing of installation parameters for obtaining maximum resolution [ru

  9. Use of computer graphics simulation for teaching of flexible sigmoidoscopy.

    Science.gov (United States)

    Baillie, J; Jowell, P; Evangelou, H; Bickel, W; Cotton, P

    1991-05-01

    The concept of simulation training in endoscopy is now well-established. The systems currently under development employ either computer graphics simulation or interactive video technology; each has its strengths and weaknesses. A flexible sigmoidoscopy training device has been designed which uses graphic routines--such as object oriented programming and double buffering--in entirely new ways. These programming techniques compensate for the limitations of currently available desk-top microcomputers. By boosting existing computer 'horsepower' with next generation coprocessors and sophisticated graphics tools such as intensity interpolation (Gouraud shading), the realism of computer simulation of flexible sigmoidoscopy is being greatly enhanced. The computer program has teaching and scoring capabilities, making it a truly interactive system. Use has been made of this ability to record, grade and store each trainee encounter in computer memory as part of a multi-center, prospective trial of simulation training being conducted currently in the USA. A new input device, a dummy endoscope, has been designed that allows application of variable resistance to the insertion tube. This greatly enhances tactile feedback, such as resistance during looping. If carefully designed trials show that computer simulation is an attractive and effective training tool, it is expected that this technology will evolve rapidly and be made widely available to trainee endoscopists.

  10. Definition, modeling and simulation of a grid computing system for high throughput computing

    CERN Document Server

    Caron, E; Tsaregorodtsev, A Yu

    2006-01-01

    In this paper, we study and compare grid and global computing systems and outline the benefits of having an hybrid system called dirac. To evaluate the dirac scheduling for high throughput computing, a new model is presented and a simulator was developed for many clusters of heterogeneous nodes belonging to a local network. These clusters are assumed to be connected to each other through a global network and each cluster is managed via a local scheduler which is shared by many users. We validate our simulator by comparing the experimental and analytical results of a M/M/4 queuing system. Next, we do the comparison with a real batch system and we obtain an average error of 10.5% for the response time and 12% for the makespan. We conclude that the simulator is realistic and well describes the behaviour of a large-scale system. Thus we can study the scheduling of our system called dirac in a high throughput context. We justify our decentralized, adaptive and oppor! tunistic approach in comparison to a centralize...

  11. Stochastic Computer Simulation of Cermet Coatings Formation

    Directory of Open Access Journals (Sweden)

    Oleg P. Solonenko

    2015-01-01

    Full Text Available An approach to the modeling of the process of the formation of thermal coatings lamellar structure, including plasma coatings, at the spraying of cermet powders is proposed. The approach based on the theoretical fundamentals developed which could be used for rapid and sufficiently accurate prediction of thickness and diameter of cermet splats as well as temperature at interface “flattening quasi-liquid cermet particle-substrate” depending on the key physical parameters (KPPs: temperature, velocity and size of particle, substrate temperature, and concentration of finely dispersed solid inclusions uniformly distributed in liquid metal binder. The results are presented, which concern the development of the computational algorithm and the program complex for modeling the process of laying the splats in the coating with regard to the topology of its surface, which varies dynamically at the spraying, as well as the formation of lamellar structure and porosity of the coating. The results of numerical experiments are presented through the example of thermal spraying the cermet TiC-30 vol.% NiCr powder, illustrating the performance of the developed computational technology.

  12. Computational methods for coupling microstructural and micromechanical materials response simulations

    Energy Technology Data Exchange (ETDEWEB)

    HOLM,ELIZABETH A.; BATTAILE,CORBETT C.; BUCHHEIT,THOMAS E.; FANG,HUEI ELIOT; RINTOUL,MARK DANIEL; VEDULA,VENKATA R.; GLASS,S. JILL; KNOROVSKY,GERALD A.; NEILSEN,MICHAEL K.; WELLMAN,GERALD W.; SULSKY,DEBORAH; SHEN,YU-LIN; SCHREYER,H. BUCK

    2000-04-01

    Computational materials simulations have traditionally focused on individual phenomena: grain growth, crack propagation, plastic flow, etc. However, real materials behavior results from a complex interplay between phenomena. In this project, the authors explored methods for coupling mesoscale simulations of microstructural evolution and micromechanical response. In one case, massively parallel (MP) simulations for grain evolution and microcracking in alumina stronglink materials were dynamically coupled. In the other, codes for domain coarsening and plastic deformation in CuSi braze alloys were iteratively linked. this program provided the first comparison of two promising ways to integrate mesoscale computer codes. Coupled microstructural/micromechanical codes were applied to experimentally observed microstructures for the first time. In addition to the coupled codes, this project developed a suite of new computational capabilities (PARGRAIN, GLAD, OOF, MPM, polycrystal plasticity, front tracking). The problem of plasticity length scale in continuum calculations was recognized and a solution strategy was developed. The simulations were experimentally validated on stockpile materials.

  13. Positive Wigner functions render classical simulation of quantum computation efficient.

    Science.gov (United States)

    Mari, A; Eisert, J

    2012-12-07

    We show that quantum circuits where the initial state and all the following quantum operations can be represented by positive Wigner functions can be classically efficiently simulated. This is true both for continuous-variable as well as discrete variable systems in odd prime dimensions, two cases which will be treated on entirely the same footing. Noting the fact that Clifford and Gaussian operations preserve the positivity of the Wigner function, our result generalizes the Gottesman-Knill theorem. Our algorithm provides a way of sampling from the output distribution of a computation or a simulation, including the efficient sampling from an approximate output distribution in the case of sampling imperfections for initial states, gates, or measurements. In this sense, this work highlights the role of the positive Wigner function as separating classically efficiently simulable systems from those that are potentially universal for quantum computing and simulation, and it emphasizes the role of negativity of the Wigner function as a computational resource.

  14. CUBESIM, Hypercube and Denelcor Hep Parallel Computer Simulation

    International Nuclear Information System (INIS)

    Dunigan, T.H.

    1988-01-01

    1 - Description of program or function: CUBESIM is a set of subroutine libraries and programs for the simulation of message-passing parallel computers and shared-memory parallel computers. Subroutines are supplied to simulate the Intel hypercube and the Denelcor HEP parallel computers. The system permits a user to develop and test parallel programs written in C or FORTRAN on a single processor. The user may alter such hypercube parameters as message startup times, packet size, and the computation-to-communication ratio. The simulation generates a trace file that can be used for debugging, performance analysis, or graphical display. 2 - Method of solution: The CUBESIM simulator is linked with the user's parallel application routines to run as a single UNIX process. The simulator library provides a small operating system to perform process and message management. 3 - Restrictions on the complexity of the problem: Up to 128 processors can be simulated with a virtual memory limit of 6 million bytes. Up to 1000 processes can be simulated

  15. Computer simulation of orthognathic surgery with video imaging

    Science.gov (United States)

    Sader, Robert; Zeilhofer, Hans-Florian U.; Horch, Hans-Henning

    1994-04-01

    Patients with extreme jaw imbalance must often undergo operative corrections. The goal of therapy is to harmonize the stomatognathic system and an aesthetical correction of the face profile. A new procedure will be presented which supports the maxillo-facial surgeon in planning the operation and which also presents the patient the result of the treatment by video images. Once an x-ray has been digitized it is possible to produce individualized cephalometric analyses. Using a ceph on screen, all current orthognathic operations can be simulated, whereby the bony segments are moved according to given parameters, and a new soft tissue profile can be calculated. The profile of the patient is fed into the computer by way of a video system and correlated to the ceph. Using the simulated operation the computer calculates a new video image of the patient which presents the expected postoperative appearance. In studies of patients treated between 1987-91, 76 out of 121 patients were able to be evaluated. The deviation in profile change varied between .0 and 1.6mm. A side effect of the practical applications was an increase in patient compliance.

  16. Computer simulations of high pressure systems

    International Nuclear Information System (INIS)

    Wilkins, M.L.

    1977-01-01

    Numerical methods are capable of solving very difficult problems in solid mechanics and gas dynamics. In the design of engineering structures, critical decisions are possible if the behavior of materials is correctly described in the calculation. Problems of current interest require accurate analysis of stress-strain fields that range from very small elastic displacement to very large plastic deformation. A finite difference program is described that solves problems over this range and in two and three space-dimensions and time. A series of experiments and calculations serve to establish confidence in the plasticity formulation. The program can be used to design high pressure systems where plastic flow occurs. The purpose is to identify material properties, strength and elongation, that meet the operating requirements. An objective is to be able to perform destructive testing on a computer rather than on the engineering structure. Examples of topical interest are given

  17. Heat transfer study on open heat exchangers used in jaggery production modules – Computational Fluid Dynamics simulation and field data assessment

    International Nuclear Information System (INIS)

    La Madrid, Raul; Marcelo, Daniel; Orbegoso, Elder Mendoza; Saavedra, Rafael

    2016-01-01

    Highlights: • Heat transfer modeling and simulation between flue gases and sugar cane juice. • Use of Computational Fluid Dynamics to get thermal parameters of a jaggery furnace. • Data acquisition system installed in the jaggery production module. • Parametric analysis changing the flue-gases velocity to represent temperature drops. - Abstract: Jaggery (also called organic sugar) is a concentrated product of sugarcane juice that is produced in rural communities in the highlands and jungle of Peru. In the last few years there has been an increase in the exports of jaggery and higher volumes of production are required driving this activity from a rural process with small production to an industry seeking greater productivity. In this framework, optimization of the use of energy becomes essential for the proper development of the process of production and the correct performance of the involved equipment. Open heat exchangers made of stainless steel are used in the production of jaggery. These heat exchangers containing sugarcane juice are placed over a flue gas duct. The thermal energy contained in the gas is used to evaporate the water contained in the sugarcane juice thickening the juice and after evaporating almost all the water, a pasty crystalline yellow substance is left in the boiling pan which becomes solid after cooling, this is the jaggery. The modeling and simulation of heat transfer between the combustion gases and the juice is very important in order to improve the thermal efficiency of the process. It permits to know with a high level of detail the physical phenomena of heat transfer occurring from bagasse combustion flue gases to sugarcane juice. This paper presents the results of the numerical simulation of heat transfer phenomena in the open heat exchangers and those results are compared to field measured data. Numerical results about temperature drop of flue gases in the several locations of the jaggery furnace are in good accordance with

  18. Computational Simulations and the Scientific Method

    Science.gov (United States)

    Kleb, Bil; Wood, Bill

    2005-01-01

    As scientific simulation software becomes more complicated, the scientific-software implementor's need for component tests from new model developers becomes more crucial. The community's ability to follow the basic premise of the Scientific Method requires independently repeatable experiments, and model innovators are in the best position to create these test fixtures. Scientific software developers also need to quickly judge the value of the new model, i.e., its cost-to-benefit ratio in terms of gains provided by the new model and implementation risks such as cost, time, and quality. This paper asks two questions. The first is whether other scientific software developers would find published component tests useful, and the second is whether model innovators think publishing test fixtures is a feasible approach.

  19. Computer simulations of dendrimer-polyelectrolyte complexes.

    Science.gov (United States)

    Pandav, Gunja; Ganesan, Venkat

    2014-08-28

    We carry out a systematic analysis of static properties of the clusters formed by complexation between charged dendrimers and linear polyelectrolyte (LPE) chains in a dilute solution under good solvent conditions. We use single chain in mean-field simulations and analyze the structure of the clusters through radial distribution functions of the dendrimer, cluster size, and charge distributions. The effects of LPE length, charge ratio between LPE and dendrimer, the influence of salt concentration, and the dendrimer generation number are examined. Systems with short LPEs showed a reduced propensity for aggregation with dendrimers, leading to formation of smaller clusters. In contrast, larger dendrimers and longer LPEs lead to larger clusters with significant bridging. Increasing salt concentration was seen to reduce aggregation between dendrimers as a result of screening of electrostatic interactions. Generally, maximum complexation was observed in systems with an equal amount of net dendrimer and LPE charges, whereas either excess LPE or dendrimer concentrations resulted in reduced clustering between dendrimers.

  20. An introduction to computer simulation methods applications to physical systems

    CERN Document Server

    Gould, Harvey; Christian, Wolfgang

    2007-01-01

    Now in its third edition, this book teaches physical concepts using computer simulations. The text incorporates object-oriented programming techniques and encourages readers to develop good programming habits in the context of doing physics. Designed for readers at all levels , An Introduction to Computer Simulation Methods uses Java, currently the most popular programming language. Introduction, Tools for Doing Simulations, Simulating Particle Motion, Oscillatory Systems, Few-Body Problems: The Motion of the Planets, The Chaotic Motion of Dynamical Systems, Random Processes, The Dynamics of Many Particle Systems, Normal Modes and Waves, Electrodynamics, Numerical and Monte Carlo Methods, Percolation, Fractals and Kinetic Growth Models, Complex Systems, Monte Carlo Simulations of Thermal Systems, Quantum Systems, Visualization and Rigid Body Dynamics, Seeing in Special and General Relativity, Epilogue: The Unity of Physics For all readers interested in developing programming habits in the context of doing phy...

  1. A benchmark on computational simulation of a CT fracture experiment

    International Nuclear Information System (INIS)

    Franco, C.; Brochard, J.; Ignaccolo, S.; Eripret, C.

    1992-01-01

    For a better understanding of the fracture behavior of cracked welds in piping, FRAMATOME, EDF and CEA have launched an important analytical research program. This program is mainly based on the analysis of the effects of the geometrical parameters (the crack size and the welded joint dimensions) and the yield strength ratio on the fracture behavior of several cracked configurations. Two approaches have been selected for the fracture analyses: on one hand, the global approach based on the concept of crack driving force J and on the other hand, a local approach of ductile fracture. In this approach the crack initiation and growth are modelized by the nucleation, growth and coalescence of cavities in front of the crack tip. The model selected in this study estimates only the growth of the cavities using the RICE and TRACEY relationship. The present study deals with a benchmark on computational simulation of CT fracture experiments using three computer codes : ALIBABA developed by EDF the CEA's code CASTEM 2000 and the FRAMATOME's code SYSTUS. The paper is split into three parts. At first, the authors present the experimental procedure for high temperature toughness testing of two CT specimens taken from a welded pipe, characteristic of pressurized water reactor primary piping. Secondly, considerations are outlined about the Finite Element analysis and the application procedure. A detailed description is given on boundary and loading conditions, on the mesh characteristics, on the numerical scheme involved and on the void growth computation. Finally, the comparisons between numerical and experimental results are presented up to the crack initiation, the tearing process being not taken into account in the present study. The variations of J and of the local variables used to estimate the damage around the crack tip (triaxiality and hydrostatic stresses, plastic deformations, void growth ...) are computed as a function of the increasing load

  2. A computer simulation model to compute the radiation transfer of mountainous regions

    Science.gov (United States)

    Li, Yuguang; Zhao, Feng; Song, Rui

    2011-11-01

    In mountainous regions, the radiometric signal recorded at the sensor depends on a number of factors such as sun angle, atmospheric conditions, surface cover type, and topography. In this paper, a computer simulation model of radiation transfer is designed and evaluated. This model implements the Monte Carlo ray-tracing techniques and is specifically dedicated to the study of light propagation in mountainous regions. The radiative processes between sun light and the objects within the mountainous region are realized by using forward Monte Carlo ray-tracing methods. The performance of the model is evaluated through detailed comparisons with the well-established 3D computer simulation model: RGM (Radiosity-Graphics combined Model) based on the same scenes and identical spectral parameters, which shows good agreements between these two models' results. By using the newly developed computer model, series of typical mountainous scenes are generated to analyze the physical mechanism of mountainous radiation transfer. The results show that the effects of the adjacent slopes are important for deep valleys and they particularly affect shadowed pixels, and the topographic effect needs to be considered in mountainous terrain before accurate inferences from remotely sensed data can be made.

  3. Computer simulation as an operational and training aid

    International Nuclear Information System (INIS)

    Lee, D.J.; Tottman-Trayner, E.

    1995-01-01

    The paper describes how the rapid development of desktop computing power, the associated fall in prices, and the advancement of computer graphics technology driven by the entertainment industry has enabled the nuclear industry to achieve improvements in operation and training through the use of computer simulation. Applications are focused on the fuel handling operations at Torness Power Station where visualization through computer modelling is being used to enhance operator awareness and to assist in a number of operational scenarios. It is concluded that there are significant benefits to be gained from the introduction of the facility at Torness as well as other locations. (author)

  4. Criteria for Appraising Computer-Based Simulations for Teaching Arabic as a Foreign Language

    National Research Council Canada - National Science Library

    Dabrowski, Richard

    2005-01-01

    This was an exploratory study aimed at defining more sharply the pedagogical and practical challenges entailed in designing and creating computer-based game-types simulations for learning Arabic as a foreign language...

  5. Investigations into radiation damages of reactor materials by computer simulation

    International Nuclear Information System (INIS)

    Bronnikov, V.A.

    2004-01-01

    Data on the state of works in European countries in the field of computerized simulation of radiation damages of reactor materials under the context of the international projects ITEM (European Database for Multiscale Modelling) and SIRENA (Simulation of Radiation Effects in Zr-Nb alloys) - computerized simulation of stress corrosion when contact of Zr-Nb alloys with iodine are presented. Computer codes for the simulation of radiation effects in reactor materials were developed. European Database for Multiscale Modelling (EDAM) was organized using the results of the investigations provided in the ITEM project [ru

  6. Computer Simulation of Hydraulic Systems with Typical Nonlinear Characteristics

    Directory of Open Access Journals (Sweden)

    D. N. Popov

    2017-01-01

    Full Text Available The task was to synthesise an adjustable hydraulic system structure, the mathematical model of which takes into account its inherent nonlinearity. Its solution suggests using a successive computer simulations starting with a structure of the linearized stable hydraulic system, which is then complicated by including the essentially non-linear elements. The hydraulic system thus obtained may be unable to meet the Lyapunov stability criterion and be unstable. This can be eliminated through correcting elements. Control of correction results is provided according to the form of transition processes due to stepwise variation of the control signal.Computer simulation of a throttle-controlled electrohydraulic servo drive with the rotary output element illustrates the proposed method application. A constant pressure power source provides fluid feed for the drive under pressure.For drive simulation the following models were involved: the linear model, the model taking into consideration a non-linearity of the flow-dynamic characteristics of a spool-type valve, and the non-linear models that take into account the dry friction in the spool-type valve, the backlash in the steering angle sensor of the motor shaft.The paper shows possibility of damping oscillation caused by variable hydrodynamic forces through introducing a correction device.The list of references attached contains 16 sources, which were used to justify and explain certain factors of the automatic control theory and the fluid mechanics of unsteady flows.The article presents 6 block-diagrams of the electrohydraulic servo drive and their appropriate transition processes, which have been studied.

  7. Noise simulation in cone beam CT imaging with parallel computing

    International Nuclear Information System (INIS)

    Tu, S.-J.; Shaw, Chris C; Chen, Lingyun

    2006-01-01

    We developed a computer noise simulation model for cone beam computed tomography imaging using a general purpose PC cluster. This model uses a mono-energetic x-ray approximation and allows us to investigate three primary performance components, specifically quantum noise, detector blurring and additive system noise. A parallel random number generator based on the Weyl sequence was implemented in the noise simulation and a visualization technique was accordingly developed to validate the quality of the parallel random number generator. In our computer simulation model, three-dimensional (3D) phantoms were mathematically modelled and used to create 450 analytical projections, which were then sampled into digital image data. Quantum noise was simulated and added to the analytical projection image data, which were then filtered to incorporate flat panel detector blurring. Additive system noise was generated and added to form the final projection images. The Feldkamp algorithm was implemented and used to reconstruct the 3D images of the phantoms. A 24 dual-Xeon PC cluster was used to compute the projections and reconstructed images in parallel with each CPU processing 10 projection views for a total of 450 views. Based on this computer simulation system, simulated cone beam CT images were generated for various phantoms and technique settings. Noise power spectra for the flat panel x-ray detector and reconstructed images were then computed to characterize the noise properties. As an example among the potential applications of our noise simulation model, we showed that images of low contrast objects can be produced and used for image quality evaluation

  8. Computer simulation of LMFBR piping systems

    International Nuclear Information System (INIS)

    A-Moneim, M.T.; Chang, Y.W.; Fistedis, S.H.

    1977-01-01

    Integrity of piping systems is one of the main concerns of the safety issues of Liquid Metal Fast Breeder Reactors (LMFBR). Hypothetical core disruptive accidents (HCDA) and water-sodium interaction are two examples of sources of high pressure pulses that endanger the integrity of the heat transport piping systems of LMFBRs. Although plastic wall deformation attenuates pressure peaks so that only pressures slightly higher than the pipe yield pressure propagate along the system, the interaction of these pulses with the different components of the system, such as elbows, valves, heat exchangers, etc.; and with one another produce a complex system of pressure pulses that cause more plastic deformation and perhaps damage to components. A generalized piping component and a tee branching model are described. An optional tube bundle and interior rigid wall simulation model makes such a generalized component model suited for modelling of valves, reducers, expansions, and heat exchangers. The generalized component and the tee branching junction models are combined with the pipe-elbow loop model so that a more general piping system can be analyzed both hydrodynamically and structurally under the effect of simultaneous pressure pulses

  9. Predictive Toxicology and Computer Simulation of Male ...

    Science.gov (United States)

    The reproductive tract is a complex, integrated organ system with diverse embryology and unique sensitivity to prenatal environmental exposures that disrupt morphoregulatory processes and endocrine signaling. U.S. EPA’s in vitro high-throughput screening (HTS) database (ToxCastDB) was used to profile the bioactivity of 54 chemicals with male developmental consequences across ~800 molecular and cellular features. The in vitro bioactivity on molecular targets could be condensed into 156 gene annotations in a bipartite network. These results highlighted the role of estrogen and androgen signaling pathways in male reproductive tract development, and importantly, broadened the list of molecular targets to include GPCRs, cytochrome-P450s, vascular remodeling proteins, and retinoic acid signaling. A multicellular agent-based model was used to simulate the complex interactions between morphoregulatory, endocrine, and environmental influences during genital tubercle (GT) development. Spatially dynamic signals (e.g., SHH, FGF10, and androgen) were implemented in the model to address differential adhesion, cell motility, proliferation, and apoptosis. Under control of androgen signaling, urethral tube closure was an emergent feature of the model that was linked to gender-specific rates of ventral mesenchymal proliferation and urethral plate endodermal apoptosis. A systemic parameter sweep was used to examine the sensitivity of crosstalk between genetic deficiency and envi

  10. Associative Memory computing power and its simulation.

    CERN Document Server

    Volpi, G; The ATLAS collaboration

    2014-01-01

    The associative memory (AM) chip is ASIC device specifically designed to perform ``pattern matching'' at very high speed and with parallel access to memory locations. The most extensive use for such device will be the ATLAS Fast Tracker (FTK) processor, where more than 8000 chips will be installed in 128 VME boards, specifically designed for high throughput in order to exploit the chip's features. Each AM chip will store a database of about 130000 pre-calculated patterns, allowing FTK to use about 1 billion patterns for the whole system, with any data inquiry broadcast to all memory elements simultaneously within the same clock cycle (10 ns), thus data retrieval time is independent of the database size. Speed and size of the system are crucial for real-time High Energy Physics applications, such as the ATLAS FTK processor. Using 80 million channels of the ATLAS tracker, FTK finds tracks within 100 $\\mathrm{\\mu s}$. The simulation of such a parallelized system is an extremely complex task when executed in comm...

  11. SiMon: Simulation Monitor for Computational Astrophysics

    Science.gov (United States)

    Xuran Qian, Penny; Cai, Maxwell Xu; Portegies Zwart, Simon; Zhu, Ming

    2017-09-01

    Scientific discovery via numerical simulations is important in modern astrophysics. This relatively new branch of astrophysics has become possible due to the development of reliable numerical algorithms and the high performance of modern computing technologies. These enable the analysis of large collections of observational data and the acquisition of new data via simulations at unprecedented accuracy and resolution. Ideally, simulations run until they reach some pre-determined termination condition, but often other factors cause extensive numerical approaches to break down at an earlier stage. In those cases, processes tend to be interrupted due to unexpected events in the software or the hardware. In those cases, the scientist handles the interrupt manually, which is time-consuming and prone to errors. We present the Simulation Monitor (SiMon) to automatize the farming of large and extensive simulation processes. Our method is light-weight, it fully automates the entire workflow management, operates concurrently across multiple platforms and can be installed in user space. Inspired by the process of crop farming, we perceive each simulation as a crop in the field and running simulation becomes analogous to growing crops. With the development of SiMon we relax the technical aspects of simulation management. The initial package was developed for extensive parameter searchers in numerical simulations, but it turns out to work equally well for automating the computational processing and reduction of observational data reduction.

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

    Science.gov (United States)

    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…

  13. Computer simulation of viscous fingering in a lifting Hele-Shaw cell

    Indian Academy of Sciences (India)

    We simulate viscous fingering generated by separating two plates with a constant force, in a lifting Hele-Shaw cell. Variation in the patterns for different fluid viscosity and lifting force is studied. Viscous fingering is strongly affected by anisotropy. We report a computer simulation study of fingering patterns, where circular or ...

  14. Reliability studies by fast electronic simulation. Realization of an apparatus of configuration made by computer in function of the model to study

    International Nuclear Information System (INIS)

    Jurvillier, I.

    1991-01-01

    Here is a reliability study concerning nuclear facilities; from the operating system scheme studies lead to the elaboration of an apparatus called ESCAF, actually commercialized, allowing the analysis of the most complex systems. These studies were made at the demand of safety evaluation services of the CEA who have to give a technical advice to the authorities able to deliver the authorization of building and operating nuclear power plants

  15. Large scale particle simulations in a virtual memory computer

    International Nuclear Information System (INIS)

    Gray, P.C.; Million, R.; Wagner, J.S.; Tajima, T.

    1983-01-01

    Virtual memory computers are capable of executing large-scale particle simulations even when the memory requirements exceeds the computer core size. The required address space is automatically mapped onto slow disc memory the the operating system. When the simulation size is very large, frequent random accesses to slow memory occur during the charge accumulation and particle pushing processes. Assesses to slow memory significantly reduce the excecution rate of the simulation. We demonstrate in this paper that with the proper choice of sorting algorithm, a nominal amount of sorting to keep physically adjacent particles near particles with neighboring array indices can reduce random access to slow memory, increase the efficiency of the I/O system, and hence, reduce the required computing time. (orig.)

  16. SU-G-IeP4-04: DD-Neutron Source Collimation for Neutron Stimulated Emission Computed Tomography: A Monte Carlo Simulation Study

    Energy Technology Data Exchange (ETDEWEB)

    Fong, G; Kapadia, A [Carl E Ravin Advanced Imaging Laboratories, Durham, North Carolina (United States)

    2016-06-15

    Purpose: To optimize collimation and shielding for a deuterium-deuterium (DD) neutron generator for an inexpensive and compact clinical neutron imaging system. The envisioned application is cancer diagnosis through Neutron Stimulated Emission Computed Tomography (NSECT). Methods: Collimator designs were tested with an isotropic 2.5 MeV neutron source through GEANT4 simulations. The collimator is a 52×52×52 cm{sup 3} polyethylene block coupled with a 1 cm lead sheet in sequence. Composite opening was modeled into the collimator to permit passage of neutrons. The opening varied in shape (cylindrical vs. tapered), size (1–5 cm source-side and target-side openings) and aperture placements (13–39 cm from source-side). Spatial and energy distribution of neutrons and gammas were tracked from each collimator design. Parameters analyzed were primary beam width (FWHM), divergence, and efficiency (percent transmission) for different configurations of the collimator. Select resultant outputs were then used for simulated NSECT imaging of a virtual breast phantom containing a 2.5 cm diameter tumor to assess the effect of the collimator on spatial resolution, noise, and scan time. Finally, composite shielding enclosure made of polyethylene and lead was designed and evaluated to block 99.99% of neutron and gamma radiation generated in the system. Results: Analysis of primary beam indicated the beam-width is linear to the aperture size. Increasing source-side opening allowed at least 20% more neutron throughput for all designs relative to the cylindrical openings. Maximum throughput for all designs was 364% relative to cylindrical openings. Conclusion: The work indicates potential for collimating and shielding a DD neutron generator for use in a clinical NSECT system. The proposed collimator designs produced a well-defined collimated neutron beam that can be used to image samples of interest with millimeter resolution. Balance in output efficiency, noise reduction, and scan

  17. SU-G-IeP4-04: DD-Neutron Source Collimation for Neutron Stimulated Emission Computed Tomography: A Monte Carlo Simulation Study

    International Nuclear Information System (INIS)

    Fong, G; Kapadia, A

    2016-01-01

    Purpose: To optimize collimation and shielding for a deuterium-deuterium (DD) neutron generator for an inexpensive and compact clinical neutron imaging system. The envisioned application is cancer diagnosis through Neutron Stimulated Emission Computed Tomography (NSECT). Methods: Collimator designs were tested with an isotropic 2.5 MeV neutron source through GEANT4 simulations. The collimator is a 52×52×52 cm"3 polyethylene block coupled with a 1 cm lead sheet in sequence. Composite opening was modeled into the collimator to permit passage of neutrons. The opening varied in shape (cylindrical vs. tapered), size (1–5 cm source-side and target-side openings) and aperture placements (13–39 cm from source-side). Spatial and energy distribution of neutrons and gammas were tracked from each collimator design. Parameters analyzed were primary beam width (FWHM), divergence, and efficiency (percent transmission) for different configurations of the collimator. Select resultant outputs were then used for simulated NSECT imaging of a virtual breast phantom containing a 2.5 cm diameter tumor to assess the effect of the collimator on spatial resolution, noise, and scan time. Finally, composite shielding enclosure made of polyethylene and lead was designed and evaluated to block 99.99% of neutron and gamma radiation generated in the system. Results: Analysis of primary beam indicated the beam-width is linear to the aperture size. Increasing source-side opening allowed at least 20% more neutron throughput for all designs relative to the cylindrical openings. Maximum throughput for all designs was 364% relative to cylindrical openings. Conclusion: The work indicates potential for collimating and shielding a DD neutron generator for use in a clinical NSECT system. The proposed collimator designs produced a well-defined collimated neutron beam that can be used to image samples of interest with millimeter resolution. Balance in output efficiency, noise reduction, and scan time

  18. Computer Networks E-learning Based on Interactive Simulations and SCORM

    Directory of Open Access Journals (Sweden)

    Francisco Andrés Candelas

    2011-05-01

    Full Text Available This paper introduces a new set of compact interactive simulations developed for the constructive learning of computer networks concepts. These simulations, which compose a virtual laboratory implemented as portable Java applets, have been created by combining EJS (Easy Java Simulations with the KivaNS API. Furthermore, in this work, the skills and motivation level acquired by the students are evaluated and measured when these simulations are combined with Moodle and SCORM (Sharable Content Object Reference Model documents. This study has been developed to improve and stimulate the autonomous constructive learning in addition to provide timetable flexibility for a Computer Networks subject.

  19. Computer simulations for thorium doped tungsten crystals

    Energy Technology Data Exchange (ETDEWEB)

    Eberhard, Bernd

    2009-07-17

    set of Langevin equations, i.e. stochastic differential equations including properly chosen ''noise'' terms. A new integration scheme is derived for integrating the equations of motion, which closely resembles the well-known Velocity Verlet algorithm. As a first application of the EAM potentials, we calculate the phonon dispersion for tungsten and thorium. Furthermore, the potentials are used to derive the excess volumes of point defects, i.e. for vacancies and Th-impurities in tungsten, grain boundary structures and energies. Additionally, we take a closer look at various stacking fault energies and link the results to the potential splitting of screw dislocations in tungsten into partials. We also compare the energetic stability of screw, edge and mixed-type dislocations. Besides this, we are interested in free enthalpy differences, for which we make use of the Overlapping Distribution Method (ODM), an efficient, albeit computationally demanding, method to calculate free enthalpy differences, with which we address the question of lattice formation, vacancy formation and impurity formation at varying temperatures. (orig.)

  20. Computer simulations for thorium doped tungsten crystals

    International Nuclear Information System (INIS)

    Eberhard, Bernd

    2009-01-01

    differential equations including properly chosen ''noise'' terms. A new integration scheme is derived for integrating the equations of motion, which closely resembles the well-known Velocity Verlet algorithm. As a first application of the EAM potentials, we calculate the phonon dispersion for tungsten and thorium. Furthermore, the potentials are used to derive the excess volumes of point defects, i.e. for vacancies and Th-impurities in tungsten, grain boundary structures and energies. Additionally, we take a closer look at various stacking fault energies and link the results to the potential splitting of screw dislocations in tungsten into partials. We also compare the energetic stability of screw, edge and mixed-type dislocations. Besides this, we are interested in free enthalpy differences, for which we make use of the Overlapping Distribution Method (ODM), an efficient, albeit computationally demanding, method to calculate free enthalpy differences, with which we address the question of lattice formation, vacancy formation and impurity formation at varying temperatures. (orig.)

  1. Computer simulations of auxetic foams in two dimensions

    International Nuclear Information System (INIS)

    Pozniak, A A; Smardzewski, J; Wojciechowski, K W

    2013-01-01

    Two simple models of two-dimensional auxetic (i.e. negative Poisson’s ratio) foams are studied by computer simulations. In the first one, further referred to as a Y-model, the ribs forming the cells of the foam are connected at points corresponding to sites of a disordered honeycomb lattice. In the second one, coined a Δ-model, the connections of the ribs are not point-like but spatial. For simplicity, they are represented by triangles centered at the honeycomb lattice points. Three kinds of joints are considered for each model, soft, normal and hard, respectively corresponding to materials with Young’s modulus ten times smaller than, equal to and ten times larger than that of the ribs. The initial lattices are uniformly compressed, which decreases their linear dimensions by about 15%. The resulting structures are then used as reference structures with no internal stress. The Poisson’s ratios of these reference structures are determined by stretching them, in either the x or the y direction. The results obtained for finite meshes and finite samples are extrapolated to infinitely fine mesh and to the thermodynamic limit, respectively. The extrapolations indicate that meshes with as few as 13 nodes across a rib and samples as small as containing 16 × 16 cells approximate the Poisson’s ratios of systems of infinite size and infinite mesh resolution within the statistical accuracy of the experiments, i.e. a few per cent. The simulations show that by applying harder joints one can reach lower Poisson’s ratios, i.e. foams with more auxetic properties. It also follows from the simulations performed that the Δ-model gives lower Poisson’s ratios than the Y-model. Finally, the simulations using fine meshes for the samples are compared with the ones in which the ribs are approximated by Timoshenko beams. Taking into account simplifications in the latter model, the agreement is surprisingly good. (paper)

  2. High performance stream computing for particle beam transport simulations

    International Nuclear Information System (INIS)

    Appleby, R; Bailey, D; Higham, J; Salt, M

    2008-01-01

    Understanding modern particle accelerators requires simulating charged particle transport through the machine elements. These simulations can be very time consuming due to the large number of particles and the need to consider many turns of a circular machine. Stream computing offers an attractive way to dramatically improve the performance of such simulations by calculating the simultaneous transport of many particles using dedicated hardware. Modern Graphics Processing Units (GPUs) are powerful and affordable stream computing devices. The results of simulations of particle transport through the booster-to-storage-ring transfer line of the DIAMOND synchrotron light source using an NVidia GeForce 7900 GPU are compared to the standard transport code MAD. It is found that particle transport calculations are suitable for stream processing and large performance increases are possible. The accuracy and potential speed gains are compared and the prospects for future work in the area are discussed

  3. Computer simulation of variform fuel assemblies using Dragon code

    International Nuclear Information System (INIS)

    Ju Haitao; Wu Hongchun; Yao Dong

    2005-01-01

    The DRAGON is a cell code that developed for the CANDU reactor by the Ecole Polytechnique de Montreal of CANADA. Although, the DRAGON is mainly used to simulate the CANDU super-cell fuel assembly, it has an ability to simulate other geometries of the fuel assembly. However, only NEACRP benchmark problem of the BWR lattice cell was analyzed until now except for the CANDU reactor. We also need to develop the code to simulate the variform fuel assemblies, especially, for design of the advanced reactor. We validated that the cell code DRAGON is useful for simulating various kinds of the fuel assembly by analyzing the rod-shape fuel assembly of the PWR and the MTR plate-shape fuel assembly. Some other kinds of geometry of geometry were computed. Computational results show that the DRAGON is able to analyze variform fuel assembly problems and the precision is high. (authors)

  4. Computer simulations and the changing face of scientific experimentation

    CERN Document Server

    Duran, Juan M

    2013-01-01

    Computer simulations have become a central tool for scientific practice. Their use has replaced, in many cases, standard experimental procedures. This goes without mentioning cases where the target system is empirical but there are no techniques for direct manipulation of the system, such as astronomical observation. To these cases, computer simulations have proved to be of central importance. The question about their use and implementation, therefore, is not only a technical one but represents a challenge for the humanities as well. In this volume, scientists, historians, and philosophers joi

  5. Environments for online maritime simulators with cloud computing capabilities

    Science.gov (United States)

    Raicu, Gabriel; Raicu, Alexandra

    2016-12-01

    This paper presents the cloud computing environments, network principles and methods for graphical development in realistic naval simulation, naval robotics and virtual interactions. The aim of this approach is to achieve a good simulation quality in large networked environments using open source solutions designed for educational purposes. Realistic rendering of maritime environments requires near real-time frameworks with enhanced computing capabilities during distance interactions. E-Navigation concepts coupled with the last achievements in virtual and augmented reality will enhance the overall experience leading to new developments and innovations. We have to deal with a multiprocessing situation using advanced technologies and distributed applications using remote ship scenario and automation of ship operations.

  6. A computer code package for electron transport Monte Carlo simulation

    International Nuclear Information System (INIS)

    Popescu, Lucretiu M.

    1999-01-01

    A computer code package was developed for solving various electron transport problems by Monte Carlo simulation. It is based on condensed history Monte Carlo algorithm. In order to get reliable results over wide ranges of electron energies and target atomic numbers, specific techniques of electron transport were implemented such as: Moliere multiscatter angular distributions, Blunck-Leisegang multiscatter energy distribution, sampling of electron-electron and Bremsstrahlung individual interactions. Path-length and lateral displacement corrections algorithms and the module for computing collision, radiative and total restricted stopping powers and ranges of electrons are also included. Comparisons of simulation results with experimental measurements are finally presented. (author)

  7. Computational simulation in architectural and environmental acoustics methods and applications of wave-based computation

    CERN Document Server

    Sakamoto, Shinichi; Otsuru, Toru

    2014-01-01

    This book reviews a variety of methods for wave-based acoustic simulation and recent applications to architectural and environmental acoustic problems. Following an introduction providing an overview of computational simulation of sound environment, the book is in two parts: four chapters on methods and four chapters on applications. The first part explains the fundamentals and advanced techniques for three popular methods, namely, the finite-difference time-domain method, the finite element method, and the boundary element method, as well as alternative time-domain methods. The second part demonstrates various applications to room acoustics simulation, noise propagation simulation, acoustic property simulation for building components, and auralization. This book is a valuable reference that covers the state of the art in computational simulation for architectural and environmental acoustics.  

  8. Comprehensive Simulation Lifecycle Management for High Performance Computing Modeling and Simulation, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — There are significant logistical barriers to entry-level high performance computing (HPC) modeling and simulation (M IllinoisRocstar) sets up the infrastructure for...

  9. Scalable space-time adaptive simulation tools for computational electrocardiology

    OpenAIRE

    Krause, Dorian; Krause, Rolf

    2013-01-01

    This work is concerned with the development of computational tools for the solution of reaction-diffusion equations from the field of computational electrocardiology. We designed lightweight spatially and space-time adaptive schemes for large-scale parallel simulations. We propose two different adaptive schemes based on locally structured meshes, managed either via a conforming coarse tessellation or a forest of shallow trees. A crucial ingredient of our approach is a non-conforming morta...

  10. Computer simulation of ion recombination in irradiated nonpolar liquids

    International Nuclear Information System (INIS)

    Bartczak, W.M.; Hummel, A.

    1986-01-01

    A review on the results of computer simulation of the diffusion controlled recombination of ions is presented. The ions generated in clusters of two and three pairs of oppositely charged ions were considered. The recombination kinetics and the ion escape probability at infinite time with and without external electric field were computed. These results are compared with the calculations based on the single-pair theory. (athor)

  11. SHIPBUILDING PRODUCTION PROCESS DESIGN METHODOLOGY USING COMPUTER SIMULATION

    OpenAIRE

    Marko Hadjina; Nikša Fafandjel; Tin Matulja

    2015-01-01

    In this research a shipbuilding production process design methodology, using computer simulation, is suggested. It is expected from suggested methodology to give better and more efficient tool for complex shipbuilding production processes design procedure. Within the first part of this research existing practice for production process design in shipbuilding was discussed, its shortcomings and problem were emphasized. In continuing, discrete event simulation modelling method, as basis of sugge...

  12. Cloud Computing in Science and Engineering and the “SciShop.ru” Computer Simulation Center

    Directory of Open Access Journals (Sweden)

    E. V. Vorozhtsov

    2011-12-01

    Full Text Available Various aspects of cloud computing applications for scientific research, applied design, and remote education are described in this paper. An analysis of the different aspects is performed based on the experience from the “SciShop.ru” Computer Simulation Center. This analysis shows that cloud computing technology has wide prospects in scientific research applications, applied developments and also remote education of specialists, postgraduates, and students.

  13. A Computer Simulation of Community Pharmacy Practice for Educational Use.

    Science.gov (United States)

    Bindoff, Ivan; Ling, Tristan; Bereznicki, Luke; Westbury, Juanita; Chalmers, Leanne; Peterson, Gregory; Ollington, Robert

    2014-11-15

    To provide a computer-based learning method for pharmacy practice that is as effective as paper-based scenarios, but more engaging and less labor-intensive. We developed a flexible and customizable computer simulation of community pharmacy. Using it, the students would be able to work through scenarios which encapsulate the entirety of a patient presentation. We compared the traditional paper-based teaching method to our computer-based approach using equivalent scenarios. The paper-based group had 2 tutors while the computer group had none. Both groups were given a prescenario and postscenario clinical knowledge quiz and survey. Students in the computer-based group had generally greater improvements in their clinical knowledge score, and third-year students using the computer-based method also showed more improvements in history taking and counseling competencies. Third-year students also found the simulation fun and engaging. Our simulation of community pharmacy provided an educational experience as effective as the paper-based alternative, despite the lack of a human tutor.

  14. A compositional reservoir simulator on distributed memory parallel computers

    International Nuclear Information System (INIS)

    Rame, M.; Delshad, M.

    1995-01-01

    This paper presents the application of distributed memory parallel computes to field scale reservoir simulations using a parallel version of UTCHEM, The University of Texas Chemical Flooding Simulator. The model is a general purpose highly vectorized chemical compositional simulator that can simulate a wide range of displacement processes at both field and laboratory scales. The original simulator was modified to run on both distributed memory parallel machines (Intel iPSC/960 and Delta, Connection Machine 5, Kendall Square 1 and 2, and CRAY T3D) and a cluster of workstations. A domain decomposition approach has been taken towards parallelization of the code. A portion of the discrete reservoir model is assigned to each processor by a set-up routine that attempts a data layout as even as possible from the load-balance standpoint. Each of these subdomains is extended so that data can be shared between adjacent processors for stencil computation. The added routines that make parallel execution possible are written in a modular fashion that makes the porting to new parallel platforms straight forward. Results of the distributed memory computing performance of Parallel simulator are presented for field scale applications such as tracer flood and polymer flood. A comparison of the wall-clock times for same problems on a vector supercomputer is also presented

  15. Automatic Model Generation Framework for Computational Simulation of Cochlear Implantation.

    Science.gov (United States)

    Mangado, Nerea; Ceresa, Mario; Duchateau, Nicolas; Kjer, Hans Martin; Vera, Sergio; Dejea Velardo, Hector; Mistrik, Pavel; Paulsen, Rasmus R; Fagertun, Jens; Noailly, Jérôme; Piella, Gemma; González Ballester, Miguel Ángel

    2016-08-01

    Recent developments in computational modeling of cochlear implantation are promising to study in silico the performance of the implant before surgery. However, creating a complete computational model of the patient's anatomy while including an external device geometry remains challenging. To address such a challenge, we propose an automatic framework for the generation of patient-specific meshes for finite element modeling of the implanted cochlea. First, a statistical shape model is constructed from high-resolution anatomical μCT images. Then, by fitting the statistical model to a patient's CT image, an accurate model of the patient-specific cochlea anatomy is obtained. An algorithm based on the parallel transport frame is employed to perform the virtual insertion of the cochlear implant. Our automatic framework also incorporates the surrounding bone and nerve fibers and assigns constitutive parameters to all components of the finite element model. This model can then be used to study in silico the effects of the electrical stimulation of the cochlear implant. Results are shown on a total of 25 models of patients. In all cases, a final mesh suitable for finite element simulations was obtained, in an average time of 94 s. The framework has proven to be fast and robust, and is promising for a detailed prognosis of the cochlear implantation surgery.

  16. Feedback controlled electrical nerve stimulation: a computer simulation.

    Science.gov (United States)

    Doruk, R Ozgur

    2010-07-01

    The role of repetitive firing in neurophysiologic or neuropsychiatric disorders, such as Parkinson, epilepsy and bipolar type disorders, has always been a topic of medical research as therapies target either the cease of firing or a decrease in its frequency. In electrotherapy, one of the mechanisms to achieve the purpose in point is to apply a low density electric current to the nervous system. In this study, a computer simulation is provided of a treatment in which the stimulation current is computed by nerve fiber cell membrane potential feedback so that the level of the current is automatically instead of manually adjusted. The behavior of the nerve cell is represented by the Hodgkin-Huxley (HH) model, which is slightly modified into a linear model with state dependent coefficients. Due to this modification, the algebraic and differential Riccati equations can be applied, which allows an optimal controller minimizing a quadratic performance index given by the user. Using a controlled current injection can decrease unnecessarily long current injection times that may be harmful to the neuronal network. This study introduces a prototype for a possible future application to a network of neurons as it is more realistic than a single neuron. Copyright 2010 Elsevier Ireland Ltd. All rights reserved.

  17. Dynamic computer simulation of the Fort St. Vrain steam turbines

    International Nuclear Information System (INIS)

    Conklin, J.C.

    1983-01-01

    A computer simulation is described for the dynamic response of the Fort St. Vrain nuclear reactor regenerative intermediate- and low-pressure steam turbines. The fundamental computer-modeling assumptions for the turbines and feedwater heaters are developed. A turbine heat balance specifying steam and feedwater conditions at a given generator load and the volumes of the feedwater heaters are all that are necessary as descriptive input parameters. Actual plant data for a generator load reduction from 100 to 50% power (which occurred as part of a plant transient on November 9, 1981) are compared with computer-generated predictions, with reasonably good agreement

  18. Technology computer aided design simulation for VLSI MOSFET

    CERN Document Server

    Sarkar, Chandan Kumar

    2013-01-01

    Responding to recent developments and a growing VLSI circuit manufacturing market, Technology Computer Aided Design: Simulation for VLSI MOSFET examines advanced MOSFET processes and devices through TCAD numerical simulations. The book provides a balanced summary of TCAD and MOSFET basic concepts, equations, physics, and new technologies related to TCAD and MOSFET. A firm grasp of these concepts allows for the design of better models, thus streamlining the design process, saving time and money. This book places emphasis on the importance of modeling and simulations of VLSI MOS transistors and

  19. Computer simulations of the mechanical properties of metals

    DEFF Research Database (Denmark)

    Schiøtz, Jakob; Vegge, Tejs

    1999-01-01

    Atomic-scale computer simulations can be used to gain a better understanding of the mechanical properties of materials. In this paper we demonstrate how this can be done in the case of nanocrystalline copper, and give a brief overview of how simulations may be extended to larger length scales....... Nanocrystline metals are metals with grain sizes in the nanometre range, they have a number of technologically interesting properties such as much increased hardness and yield strength. Our simulations show that the deformation mechanisms are different in these materials than in coarse-grained materials...

  20. Computer simulation of gain fluctuations in proportional counters

    International Nuclear Information System (INIS)

    Demir, Nelgun; Tapan, . Ilhan

    2004-01-01

    A computer simulation code has been developed in order to examine the fluctuation in gas amplification in wire proportional counters which are common in detector applications in particle physics experiments. The magnitude of the variance in the gain dominates the statistical portion of the energy resolution. In order to compare simulation and experimental results, the gain and its variation has been calculated numerically for the well known Aleph Inner Tracking Detector geometry. The results show that the bias voltage has a strong influence on the variance in the gain. The simulation calculations are in good agreement with experimental results. (authors)