Computer simulation of two-phase flow in nuclear reactors
Energy Technology Data Exchange (ETDEWEB)
Wulff, W.
1992-09-01
Two-phase flow models dominate the economic resource requirements for development and use of computer codes for analyzing thermohydraulic transients in nuclear power plants. Six principles are presented on mathematical modeling and selection of numerical methods, along with suggestions on programming and machine selection, all aimed at reducing the cost of analysis. Computer simulation is contrasted with traditional computer calculation. The advantages of run-time interactive access operation in a simulation environment are demonstrated. It is explained that the drift-flux model is better suited for two-phase flow analysis in nuclear reactors than the two-fluid model, because of the latter`s closure problem. The advantage of analytical over numerical integration is demonstrated. Modeling and programming techniques are presented which minimize the number of needed arithmetical and logical operations and thereby increase the simulation speed, while decreasing the cost.
Computer simulation of two-phase flow in nuclear reactors
Energy Technology Data Exchange (ETDEWEB)
Wulff, W.
1992-01-01
Two-phase flow models dominate the economic resource requirements for development and use of computer codes for analyzing thermohydraulic transients in nuclear power plants. Six principles are presented on mathematical modeling and selection of numerical methods, along with suggestions on programming and machine selection, all aimed at reducing the cost of analysis. Computer simulation is contrasted with traditional computer calculation. The advantages of run-time interactive access operation in a simulation environment are demonstrated. It is explained that the drift-flux model is better suited for two-phase flow analysis in nuclear reactors than the two-fluid model, because of the latter's closure problem. The advantage of analytical over numerical integration is demonstrated. Modeling and programming techniques are presented which minimize the number of needed arithmetical and logical operations and thereby increase the simulation speed, while decreasing the cost.
Numerical Simulation of Multi-phase Flow in Porous Media on Parallel Computers
Liu, Hui; Chen, Zhangxin; Luo, Jia; Deng, Hui; He, Yanfeng
2016-01-01
This paper is concerned with developing parallel computational methods for two-phase flow on distributed parallel computers; techniques for linear solvers and nonlinear methods are studied, and the standard and inexact Newton methods are investigated. A multi-stage preconditioner for two-phase flow is proposed and advanced matrix processing strategies are implemented. Numerical experiments show that these computational methods are scalable and efficient, and are capable of simulating large-scale problems with tens of millions of grid blocks using thousands of CPU cores on parallel computers. The nonlinear techniques, preconditioner and matrix processing strategies can also be applied to three-phase black oil, compositional and thermal models.
Energy Technology Data Exchange (ETDEWEB)
Zuo, Wangda [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); McNeil, Andrew [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Wetter, Michael [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Lee, Eleanor S. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
2013-05-23
Building designers are increasingly relying on complex fenestration systems to reduce energy consumed for lighting and HVAC in low energy buildings. Radiance, a lighting simulation program, has been used to conduct daylighting simulations for complex fenestration systems. Depending on the configurations, the simulation can take hours or even days using a personal computer. This paper describes how to accelerate the matrix multiplication portion of a Radiance three-phase daylight simulation by conducting parallel computing on heterogeneous hardware of a personal computer. The algorithm was optimized and the computational part was implemented in parallel using OpenCL. The speed of new approach was evaluated using various daylighting simulation cases on a multicore central processing unit and a graphics processing unit. Based on the measurements and analysis of the time usage for the Radiance daylighting simulation, further speedups can be achieved by using fast I/O devices and storing the data in a binary format.
Computational Particle Dynamic Simulations on Multicore Processors (CPDMu) Final Report Phase I
Energy Technology Data Exchange (ETDEWEB)
Schmalz, Mark S
2011-07-24
Statement of Problem - Department of Energy has many legacy codes for simulation of computational particle dynamics and computational fluid dynamics applications that are designed to run on sequential processors and are not easily parallelized. Emerging high-performance computing architectures employ massively parallel multicore architectures (e.g., graphics processing units) to increase throughput. Parallelization of legacy simulation codes is a high priority, to achieve compatibility, efficiency, accuracy, and extensibility. General Statement of Solution - A legacy simulation application designed for implementation on mainly-sequential processors has been represented as a graph G. Mathematical transformations, applied to G, produce a graph representation {und G} for a high-performance architecture. Key computational and data movement kernels of the application were analyzed/optimized for parallel execution using the mapping G {yields} {und G}, which can be performed semi-automatically. This approach is widely applicable to many types of high-performance computing systems, such as graphics processing units or clusters comprised of nodes that contain one or more such units. Phase I Accomplishments - Phase I research decomposed/profiled computational particle dynamics simulation code for rocket fuel combustion into low and high computational cost regions (respectively, mainly sequential and mainly parallel kernels), with analysis of space and time complexity. Using the research team's expertise in algorithm-to-architecture mappings, the high-cost kernels were transformed, parallelized, and implemented on Nvidia Fermi GPUs. Measured speedups (GPU with respect to single-core CPU) were approximately 20-32X for realistic model parameters, without final optimization. Error analysis showed no loss of computational accuracy. Commercial Applications and Other Benefits - The proposed research will constitute a breakthrough in solution of problems related to efficient
Rivera-Ortega, Uriel; Dirckx, Joris
2015-09-01
In this manuscript a computer based simulation is proposed for teaching concepts of interference of light (under the scheme of a Michelson interferometer), phase-shifting and polarization states. The user can change some parameters of the interfering waves, such as their amplitude and phase difference in order to graphically represent the polarization state of a simulated travelling wave. Regarding to the interference simulation, the user is able to change the wavelength and type of the interfering waves by selecting combinations between planar and Gaussian profiles, as well as the optical path difference by translating or tilting one of the two mirrors in the interferometer setup, all of this via a graphical user interface (GUI) designed in MATLAB. A theoretical introduction and simulation results for each phenomenon will be shown. Due to the simulation characteristics, this GUI can be a very good non-formal learning resource.
Optimisation of phase ratio in the triple jump using computer simulation.
Allen, Sam J; King, Mark A; Yeadon, M R Fred
2016-04-01
The triple jump is an athletic event comprising three phases in which the optimal proportion of each phase to the total distance jumped, termed the phase ratio, is unknown. This study used a whole-body torque-driven computer simulation model of all three phases of the triple jump to investigate optimal technique. The technique of the simulation model was optimised by varying torque generator activation parameters using a Genetic Algorithm in order to maximise total jump distance, resulting in a hop-dominated technique (35.7%:30.8%:33.6%) and a distance of 14.05m. Optimisations were then run with penalties forcing the model to adopt hop and jump phases of 33%, 34%, 35%, 36%, and 37% of the optimised distance, resulting in total distances of: 13.79m, 13.87m, 13.95m, 14.05m, and 14.02m; and 14.01m, 14.02m, 13.97m, 13.84m, and 13.67m respectively. These results indicate that in this subject-specific case there is a plateau in optimum technique encompassing balanced and hop-dominated techniques, but that a jump-dominated technique is associated with a decrease in performance. Hop-dominated techniques are associated with higher forces than jump-dominated techniques; therefore optimal phase ratio may be related to a combination of strength and approach velocity.
Computer simulation of free settling and skeletal settling during liquid phase sintering
Directory of Open Access Journals (Sweden)
Nikolić Z.S.
2006-01-01
Full Text Available In recent years, a range of computer simulation models leading to a better understanding of liquid phase sintering phenomena, have been developed with the aim of simulating the detailed evolution of microstructure during grain growth. Some liquid phase sintered materials show both macrostructural and microstructural effects associated with gravity force. Therefore we will develop a numerical procedure for the estimation of how much gravity will influence domain (two-dimensional particle representation growth, domain boundary migration and solid skeleton formation due to gravity induced segregation during liquid phase sintering. The method used for the simulation of a gravity field will be based on the settling procedure. Gravity induced settling will be separated into two stages - Free Settling and Skeletal Settling. Isolated solid phase domains fall under gravity and slide down over the already settled domains (free settling. During settling they make point contacts with each other. Necks between them then form and start to grow until the equilibrium dihedral angle between the domain boundaries and the liquid is established. Thus a solid skeleton forms and skeletal settling of a connected solid structure takes place. .
Computer simulation of phase separation and ordering processes in low-dimensional systems
DEFF Research Database (Denmark)
Mouritsen, O.G.; Shah, P.J.; Vitting Andersen, J.
1991-01-01
properties, and a possible universal classification of the late-stage dynamics. Evidence from kinetic lattice model calculations using computer-simulation techniques is presented in favor of a universal description of the dynamics in terms of algebraic growth laws with exponents which only depend...... on the nature of the conservation laws in effect. Atomic and molecular overlayers on solid surfaces and weakly-coupled atomic layers of certain three-dimensional crystals constitute a particularly suitable class of systems for studying fundamental aspects of ordering dynamics and phase separation in two...
Some aspects of the computer simulation of conduction heat transfer and phase change processes
Energy Technology Data Exchange (ETDEWEB)
Solomon, A. D.
1982-04-01
Various aspects of phase change processes in materials are discussd including computer modeling, validation of results and sensitivity. In addition, the possible incorporation of cognitive activities in computational heat transfer is examined.
SHAFT78: a two-phase multidimensional computer program for geothermal reservoir simulation
Energy Technology Data Exchange (ETDEWEB)
Pruess, K.; Schroeder, R.C.; Witherspoon, P.A.; Zerzan, J.M.
1979-11-01
The computer program SHAFT78 was developed to compute two-phase flow phenomena in geothermal reservoirs. The program solves transient initial-value problems with prescribed boundary-conditions in up to three space dimensions. The solution method is an explicit-implicit IFD approach which does not distinguish between 1, 2, or 3-D coordinate systems and allows a flexible choice of the shape of the discrete grid elements. The mass-and-energy equations are formulated in conservative form. The stability and convergence of the algorithm is controlled by an automatic choice of time steps - partially controlled by the user. Although the program has been developed for use in simulating production and injection in geothermal reservoirs, there are other two-phase problems for which it is either immediately applicable, or for which it can be modified to be applicable. All fluid parameters, such as viscosity, heat capacity, heat conductivity, etc., can be specified as functions of temperature and pressure, and all parameters can vary with position. The program can handle up to seven different anisotropic rocks, with all rock parameters assumed to be independent of position, temperature, and pressure. (MHR)
Kruzhaev, A. V.; Elagin, I. A.; Pavleino, M. A.; Dmitriev, V. A.; Chaly, A. M.
2015-02-01
We perform simulation and experimental investigation of transient processes emerging in a single-phase transformer when it is connected to the network. The transformer model constructed taking into account the saturation of the steel of the core differs from standard models in detailed accounting for the magnetic flux leakage, which is required, for example, for a correct description of inrush current. Universality of the model for the type of transformers under study is ensured by the allowance for eddy current losses and calculation of the magnetic hysteresis in the steel core. The latter makes it possible to estimate the effect of residual magnetization of the core on the form of a transient process, which is studied in detail. The methods for computing model parameters are described and its experimental verification is carried out.
Computational Fluid Dynamics Simulation of Liquid-Phase FCC Diesel Hydrotreating in Tubular Reactor
Institute of Scientific and Technical Information of China (English)
Li Hua; Liu Ningqiang; Zeng Zhiyu; Zou Ying; Wang Jiming
2015-01-01
The computational lfuid dynamics (CFD) code, FLUENT, was used to simulate the liquid-phase FCC diesel hy-drotreating tubular reactor with a ceramic membrane tube dispenser. The chemical reaction and reaction heat were added to the model by user-deifned function (UDF), showing the distribution of temperature and content of sulifdes, nitrides, bicyclic aromatics and monocyclic aromatics in different parts of the reaction bed. When the pressure was 6.5 MPa, the amount of mixing hydrogen was 0.84% (m), the space velocity was 2 h-1 and the inlet temperature was 633K, the temperature reached a maximum at a height of 0.15 m, and the range of radial temperature reached its maximum (2.5 K) at a height of 0.15 m. It indicated that the proper ratio of height to diameter of catalyst bed in the tubular reactor was 5-6. The increase of inlet temperature, the mixing hydrogen and the decrease of space velocity led to the decrease in the content of bicyclic aromatics, sulifdes and nitrides, and the increase in monocyclic aromatics content, while the high temperature increased. The results were in good agreement with experimental data, indicating to the high accuracy of the model.
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...
Computer simulations on the gas-liquid phase diagram of Stockmayer fluids
Institute of Scientific and Technical Information of China (English)
L(U) Zhongyuan; OUYANG Wenze; SUN Zhaoyan; LI Zesheng; AN Lijia
2005-01-01
Particle exchange molecular dynamics (PEMD) simulation technique is proposed to study the gas-liquid phase diagram of fluids. In the simulations, the fluid particles can be transferred between the two coupled boxes, which possess constant total number of particles and volume. The particle transfer is controlled by the difference of chemical potential in the respective simulation box. After equilibrium the two boxes have the same pressure, temperature and chemical potential. The method is further used to study the gas-liquid phase diagram of Stockmayer fluid. Increasing the dipole strength will enhance the critical temperature. The predicted critical points are in agreement with those from Gibbs ensemble Monte Carlo simulations, while the small systematic difference is attributed to the system size effects and the thermostat methods.
Computational model and simulations of gas-liquid-solid three-phase interactions
Zhang, Lucy; Wang, Chu
2013-11-01
A computational technique to model three-phase (gas-liquid-solid) interactions is proposed in this study. This numerical algorithm couples a connectivity-free front-tracking method that treats gas-liquid multi-fluid interface to the immersed finite element method that treats fully-coupled fluid-solid interactions. The numerical framework is based on a non-boundary-fitted meshing technique where the background grid is fixed where no mesh-updating or re-meshing is required. An indicator function is used to identify the gas from the liquid, and the fluid (gas or liquid) from the solid. Several 2-D and 3-D validation cases are demonstrated to show the accuracy and the robustness of the method. Funding from NRC and CCNI computational facility at Rensselaer Polytechnic Institute are greatly acknowledged.
Mkanya, Anele; Pellicane, Giuseppe; Pini, Davide; Caccamo, Carlo
2017-09-01
We report extensive calculations, based on the modified hypernetted chain (MHNC) theory, on the hierarchical reference theory (HRT), and on Monte Carlo simulations, of thermodynamical, structural and phase coexistence properties of symmetric binary hard-core Yukawa mixtures (HCYM) with attractive interactions at equal species concentration. The obtained results are throughout compared with those available in the literature for the same systems. It turns out that the MHNC predictions for thermodynamic and structural quantities are quite accurate in comparison with the MC data. The HRT is equally accurate for thermodynamics, and slightly less accurate for structure. Liquid-vapor (LV) and liquid-liquid (LL) consolute coexistence conditions as emerging from simulations, are also highly satisfactorily reproduced by both the MHNC and HRT for relatively long ranged potentials. When the potential range reduces, the MHNC faces problems in determining the LV binodal line; however, the LL consolute line and the critical end point (CEP) temperature and density turn out to be still satisfactorily predicted within this theory. The HRT also predicts with good accuracy the CEP position. The possibility of employing liquid state theories HCYM for the purpose of reliably determining phase equilibria in multicomponent colloidal fluids of current technological interest, is discussed.
Očenášek, J.; Novák, P.; Prušáková, L.
2017-01-01
This study demonstrates that a laser-induced crystallization instrumented with Raman spectroscopy is, in general, an effective tool to study the thermally activated crystallization kinetics. It is shown, for the solid phase crystallization of an amorphous silicon thin film, that the integral intensity of Raman spectra corresponding to the crystalline phase grows linearly in the time-logarithmic scale. A mathematical model, which assumes random nucleation and crystal growth, was designed to simulate the crystallization process in the non-uniform temperature field induced by laser. The model is based on solving the Eikonal equation and the Arhenius temperature dependence of the crystal nucleation and the growth rate. These computer simulations successfully approximate the crystallization process kinetics and suggest that laser-induced crystallization is primarily thermally activated.
Computer simulations of phase field drops on super-hydrophobic surfaces
Fedeli, Livio
2017-09-01
We present a novel quasi-Newton continuation procedure that efficiently solves the system of nonlinear equations arising from the discretization of a phase field model for wetting phenomena. We perform a comparative numerical analysis that shows the improved speed of convergence gained with respect to other numerical schemes. Moreover, we discuss the conditions that, on a theoretical level, guarantee the convergence of this method. At each iterative step, a suitable continuation procedure develops and passes to the nonlinear solver an accurate initial guess. Discretization performs through cell-centered finite differences. The resulting system of equations is solved on a composite grid that uses dynamic mesh refinement and multi-grid techniques. The final code achieves three-dimensional, realistic computer experiments comparable to those produced in laboratory settings. This code offers not only new insights into the phenomenology of super-hydrophobicity, but also serves as a reliable predictive tool for the study of hydrophobic surfaces.
Computational fluid dynamics simulations of blood flow regularized by 3D phase contrast MRI
DEFF Research Database (Denmark)
Rispoli, Vinicius C; Nielsen, Jon; Nayak, Krishna S
2015-01-01
approach in regularizing 3D flow fields is evaluated. METHODS: The proposed algorithm incorporates both a Newtonian fluid physics model and a linear PC-MRI signal model. The model equations are solved numerically using a modified CFD algorithm. The numerical solution corresponds to the optimal solution......BACKGROUND: Phase contrast magnetic resonance imaging (PC-MRI) is used clinically for quantitative assessment of cardiovascular flow and function, as it is capable of providing directly-measured 3D velocity maps. Alternatively, vascular flow can be estimated from model-based computation fluid...... dynamics (CFD) calculations. CFD provides arbitrarily high resolution, but its accuracy hinges on model assumptions, while velocity fields measured with PC-MRI generally do not satisfy the equations of fluid dynamics, provide limited resolution, and suffer from partial volume effects. The purpose...
Srinath, Sriakr; Rudy, Alexander R; Ammons, S Mark
2015-01-01
We present a sample-based, autoregressive (AR) method for the generation and time evolution of atmospheric phase screens that is computationally efficient and uses a single parameter per Fourier mode to vary the power contained in the frozen flow and stochastic components. We address limitations of Fourier-based methods such as screen periodicity and low spatial frequency power content. Comparisons of adaptive optics (AO) simulator performance when fed AR phase screens and translating phase screens reveal significantly elevated residual closed-loop temporal power for small increases in added stochastic content at each time step, thus displaying the importance of properly modeling atmospheric "boiling". We present preliminary evidence that our model fits to AO telemetry are better reflections of real conditions than the pure frozen flow assumption.
Simulation of quantum computers
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 con
Carlstrom, Nicholas Mercury
2016-01-01
Training Materials version 2013.0 release was used to complete the Trick tutorial. Multiple network privilege and repository permission requests were required in order to access previous simulation models. The project was also an introduction to computer programming and the Linux operating system. Basic C++ and Python syntax was used during the completion of the Trick tutorial. Trick's engineering analysis and Monte Carlo simulation capabilities were observed and basic space mission planning procedures were applied in the conceptual design phase. Multiple professional development opportunities were completed in addition to project duties during this internship through the System for Administration, Training, and Education Resources for NASA (SATERN). Topics include: JSC Risk Management Workshop, CCP Risk Management, Basic Radiation Safety Training, X-Ray Radiation Safety, Basic Laser Safety, JSC Export Control, ISS RISE Ambassador, Basic SharePoint 2013, Space Nutrition and Biochemistry, and JSC Personal Protective Equipment. Additionally, this internship afforded the opportunity for formal project presentation and public speaking practice. This was my first experience at a NASA center. After completing this internship I have a much clearer understanding of certain aspects of the agency's processes and procedures, as well as a deeper appreciation from spaceflight simulation design and testing. I will continue to improve my technical skills so that I may have another opportunity to return to NASA and Johnson Space Center.
The Use of a Computer Simulation to Promote Scientific Conceptions of Moon Phases
Bell, Randy L.; Trundle, Kathy Cabe
2008-01-01
This study described the conceptual understandings of 50 early childhood (Pre-K-3) preservice teachers about standards-based lunar concepts before and after inquiry-based instruction utilizing educational technology. The instructional intervention integrated the planetarium software "Starry Night Backyard[TM]" with instruction on moon phases from…
Directory of Open Access Journals (Sweden)
King H. Yang
1995-01-01
Full Text Available An explicit finite element method was used to study the neck load and the contact force between an occupant and an airbag during an out-of-position frontal automobile crash. Two different folding patterns and two different mounting angles of the airbag were simulated. For the four cases simulated, the occupant’s neck axial force ranged from 156 to 376% of the data obtained from in-position sled tests using the Hybrid III dummy. The neck shear force ranged from 87 to 229% and the neck flexion moment ranged from 68 to 127% of in-position experimental results. In both 300 mounting angle simulations, the neck axial forces were higher than that of the two simulations with 00 mounting angles, but the trend for the neck shear force was the opposite. Although the kinematics of the model appear reasonable, the numbers generated by the model must be reviewed with great caution because the model has not been fully validated.
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
Computer simulation of liquid crystals
Energy Technology Data Exchange (ETDEWEB)
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[sub 2]Si)[sub 2]O, using ab initio quantum mechanical calculations. (author)
Computer simulation of liquid crystals
Energy Technology Data Exchange (ETDEWEB)
McBride, C
1999-09-01
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{sub 2}Si){sub 2}O, using ab initio quantum mechanical calculations. (author)
Energy Technology Data Exchange (ETDEWEB)
1978-03-22
A grid-connected Integrated Community Energy System (ICES) with a coal-burning power plant located on the University of Minnesota campus is planned. The cost benefit analysis performed for this ICES, the cost accounting methods used, and a computer simulation of the operation of the power plant are described. (LCL)
Directory of Open Access Journals (Sweden)
A. B. Babaev
2015-01-01
Full Text Available Using Monte-Carlo simulations, we investigated phase transitions and frustrations in the three-state Potts model on a triangular lattice with allowance for antiferromagnetic exchange interactions between nearest- neighbors J1 and next- nearest- neighbors J2. The ratio of the next-nearest- neighbor and nearest- neighbor exchange constants r=J2/J1 is chosen within the 0÷2 range. Based on the analysis of the entropy, specific heat, system state density function, and fourth order Binder cumulants, the phase transitions in the Potts model with interactions J1<0 and J2<0 are shown to be found in value ranges of 0 r<0.2 and 1.0
Energy Technology Data Exchange (ETDEWEB)
Griffiths, M.K.; Bishop, J.E.L.; Tucker, J.W. E-mail: jwtucker@sheffield.ac.uk; Davies, H.A
2001-09-01
Micromagnetic models of assemblies of randomly oriented, exchange coupled, nanocrystals consisting of a magnetically hard uniaxial phase (typified by Nd{sub 2}Fe{sub 14}B) together with an ultra-soft phase (typified by {alpha}-iron) have been studied numerically. The hard crystallites were located on a three dimensional cubic lattice, and cubic crystallites of the soft phase were inserted at the junctions of every group of eight hard crystallites. Demagnetizing curves were obtained as a sequence of static equilibrium states in an incrementally changing applied field. Values of the coercivity, remanence and energy product are reported as functions of {delta}{sub GH}, the grain size of the hard phase, and of phi (cursive,open) Greek{sub S}, the fractional volume of the soft phase. The dependence on {delta}{sub GH} falls quite rapidly with increasing phi (cursive,open) Greek{sub S}. The low anisotropy and high saturation magnetization of the {alpha}-iron make approximately equal contributions to remanence enhancement in the model. Its remanence values are in quite good agreement with experimental values for Nd{sub 2}Fe{sub 14}B containing {alpha}-iron. However, its values for the coercivity and energy product, though decidedly lower than those obtained computationally by some other authors, significantly exceed those obtained experimentally, but show a similar variation with {delta}{sub GH} and phi (cursive,open) Greek{sub S}.
Phase computations and phase models for discrete molecular oscillators
2012-01-01
Background Biochemical oscillators perform crucial functions in cells, e.g., they set up circadian clocks. The dynamical behavior of oscillators is best described and analyzed in terms of the scalar quantity, phase. A rigorous and useful definition for phase is based on the so-called isochrons of oscillators. Phase computation techniques for continuous oscillators that are based on isochrons have been used for characterizing the behavior of various types of oscillators under the influence of perturbations such as noise. Results In this article, we extend the applicability of these phase computation methods to biochemical oscillators as discrete molecular systems, upon the information obtained from a continuous-state approximation of such oscillators. In particular, we describe techniques for computing the instantaneous phase of discrete, molecular oscillators for stochastic simulation algorithm generated sample paths. We comment on the accuracies and derive certain measures for assessing the feasibilities of the proposed phase computation methods. Phase computation experiments on the sample paths of well-known biological oscillators validate our analyses. Conclusions The impact of noise that arises from the discrete and random nature of the mechanisms that make up molecular oscillators can be characterized based on the phase computation techniques proposed in this article. The concept of isochrons is the natural choice upon which the phase notion of oscillators can be founded. The isochron-theoretic phase computation methods that we propose can be applied to discrete molecular oscillators of any dimension, provided that the oscillatory behavior observed in discrete-state does not vanish in a continuous-state approximation. Analysis of the full versatility of phase noise phenomena in molecular oscillators will be possible if a proper phase model theory is developed, without resorting to such approximations. PMID:22687330
Massively parallel quantum computer simulator
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
Density-functional theory computer simulations of CZTS0.25Se0.75 alloy phase diagrams
Chagarov, E.; Sardashti, K.; Haight, R.; Mitzi, D. B.; Kummel, A. C.
2016-08-01
Density-functional theory simulations of CZTS, CZTSe, and CZTS0.25Se0.75 photovoltaic compounds have been performed to investigate the stability of the CZTS0.25Se0.75 alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS0.25Se0.75 alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to the Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS0.25Se0.75 that the chemical potentials for stability differ between typical processing temperature (˜900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS0.25Se0.75 in a thermodynamically stable state to minimize phase decomposition.
Computed Tomography of Transverse Phase Space
Energy Technology Data Exchange (ETDEWEB)
Watts, A. [Fermilab; Johnstone, C. [Fermilab; Johnstone, J. [Fermilab
2016-09-19
Two computed tomography techniques are explored to reconstruct beam transverse phase space using both simulated beam and multi-wire profile data in the Fermilab Muon Test Area ("MTA") beamline. Both Filtered Back-Projection ("FBP") and Simultaneous Algebraic Reconstruction Technique ("SART") algorithms [2] are considered and compared. Errors and artifacts are compared as a function of each algorithm’s free parameters, and it is shown through simulation and MTA beamline profiles that SART is advantageous for reconstructions with limited profile data.
Energy Technology Data Exchange (ETDEWEB)
Uzunyan, S. A. [Northern Illinois Univ., DeKalb, IL (United States); Blazey, G. [Northern Illinois Univ., DeKalb, IL (United States); Boi, S. [Northern Illinois Univ., DeKalb, IL (United States); Coutrakon, G. [Northern Illinois Univ., DeKalb, IL (United States); Dyshkant, A. [Northern Illinois Univ., DeKalb, IL (United States); Francis, K. [Northern Illinois Univ., DeKalb, IL (United States); Hedin, D. [Northern Illinois Univ., DeKalb, IL (United States); Johnson, E. [Northern Illinois Univ., DeKalb, IL (United States); Kalnins, J. [Northern Illinois Univ., DeKalb, IL (United States); Zutshi, V. [Northern Illinois Univ., DeKalb, IL (United States); Ford, R. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Rauch, J. E. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Rubinov, P. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Sellberg, G. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Wilson, P. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Naimuddin, M. [Univ. of Delhi, New Delhi (India)
2015-12-29
Northern Illinois University in collaboration with Fermi National Accelerator Laboratory (FNAL) and Delhi University has been designing and building a proton CT scanner for applications in proton treatment planning. The Phase II proton CT scanner consists of eight planes of tracking detectors with two X and two Y coordinate measurements both before and after the patient. In addition, a range stack detector consisting of a stack of thin scintillator tiles, arranged in twelve eight-tile frames, is used to determine the water equivalent path length (WEPL) of each track through the patient. The X-Y coordinates and WEPL are required input for image reconstruction software to find the relative (proton) stopping powers (RSP) value of each voxel in the patient and generate a corresponding 3D image. In this Note we describe tests conducted in 2015 at the proton beam at the Central DuPage Hospital in Warrenville, IL, focusing on the range stack calibration procedure and comparisons with the GEANT~4 range stack simulation.
Grid computing and biomolecular simulation.
Woods, Christopher J; Ng, Muan Hong; Johnston, Steven; Murdock, Stuart E; Wu, Bing; Tai, Kaihsu; Fangohr, Hans; Jeffreys, Paul; Cox, Simon; Frey, Jeremy G; Sansom, Mark S P; Essex, Jonathan W
2005-08-15
Biomolecular computer simulations are now widely used not only in an academic setting to understand the fundamental role of molecular dynamics on biological function, but also in the industrial context to assist in drug design. In this paper, two applications of Grid computing to this area will be outlined. The first, involving the coupling of distributed computing resources to dedicated Beowulf clusters, is targeted at simulating protein conformational change using the Replica Exchange methodology. In the second, the rationale and design of a database of biomolecular simulation trajectories is described. Both applications illustrate the increasingly important role modern computational methods are playing in the life sciences.
Massive Parallel Quantum Computer Simulator
De Raedt, K; De Raedt, H; Ito, N; Lippert, T; Michielsen, K; Richter, M; Trieu, B; Watanabe, H; Lippert, Th.
2006-01-01
We describe portable software to simulate universal quantum computers on massive parallel computers. We illustrate the use of the simulation software by running various quantum algorithms on different computer architectures, such as a IBM BlueGene/L, a IBM Regatta p690+, a Hitachi SR11000/J1, a Cray X1E, a SGI Altix 3700 and clusters of PCs running Windows XP. We study the performance of the software by simulating quantum computers containing up to 36 qubits, using up to 4096 processors and up to 1 TB of memory. Our results demonstrate that the simulator exhibits nearly ideal scaling as a function of the number of processors and suggest that the simulation software described in this paper may also serve as benchmark for testing high-end parallel computers.
Optically simulated universal quantum computation
Francisco, D.; Ledesma, S.
2008-04-01
Recently, classical optics based systems to emulate quantum information processing have been proposed. The analogy is based on the possibility of encoding a quantum state of a system with a 2N-dimensional Hilbert space as an image in the input of an optical system. The probability amplitude of each state of a certain basis is associated with the complex amplitude of the electromagnetic field in a given slice of the laser wavefront. Temporal evolution is represented as the change of the complex amplitude of the field when the wavefront pass through a certain optical arrangement. Different modules that represent universal gates for quantum computation have been implemented. For instance, unitary operations acting on the qbits space (or U(2) gates) are represented by means of two phase plates, two spherical lenses and a phase grating in a typical image processing set up. In this work, we present CNOT gates which are emulated by means of a cube prism that splits a pair of adjacent rays incoming from the input image. As an example of application, we present an optical module that can be used to simulate the quantum teleportation process. We also show experimental results that illustrate the validity of the analogy. Although the experimental results obtained are promising and show the capability of the system for simulate the real quantum process, we must take into account that any classical simulation of quantum phenomena, has as fundamental limitation the impossibility of representing non local entanglement. In this classical context, quantum teleportation has only an illustrative interpretation.
Uncertainty and error in computational simulations
Energy Technology Data Exchange (ETDEWEB)
Oberkampf, W.L.; Diegert, K.V.; Alvin, K.F.; Rutherford, B.M.
1997-10-01
The present paper addresses the question: ``What are the general classes of uncertainty and error sources in complex, computational simulations?`` This is the first step of a two step process to develop a general methodology for quantitatively estimating the global modeling and simulation uncertainty in computational modeling and simulation. The second step is to develop a general mathematical procedure for representing, combining and propagating all of the individual sources through the simulation. The authors develop a comprehensive view of the general phases of modeling and simulation. The phases proposed are: conceptual modeling of the physical system, mathematical modeling of the system, discretization of the mathematical model, computer programming of the discrete model, numerical solution of the model, and interpretation of the results. This new view is built upon combining phases recognized in the disciplines of operations research and numerical solution methods for partial differential equations. The characteristics and activities of each of these phases is discussed in general, but examples are given for the fields of computational fluid dynamics and heat transfer. They argue that a clear distinction should be made between uncertainty and error that can arise in each of these phases. The present definitions for uncertainty and error are inadequate and. therefore, they propose comprehensive definitions for these terms. Specific classes of uncertainty and error sources are then defined that can occur in each phase of modeling and simulation. The numerical sources of error considered apply regardless of whether the discretization procedure is based on finite elements, finite volumes, or finite differences. To better explain the broad types of sources of uncertainty and error, and the utility of their categorization, they discuss a coupled-physics example simulation.
Computer Simulation Study of Bipolaron Formation
Raedt, H. De; Lagendijk, A.
1986-01-01
Monte Carlo computer simulation techniques are used to study the formation of bipolarons on a lattice. The transition between the three possible states, extended, two-polaron, and bipolaron is studied. The phase diagram as a function of the strengths of the electron-phonon coupling and repulsive int
Computer simulation in materials science
Energy Technology Data Exchange (ETDEWEB)
Arsenault, R.J.; Beeler, J.R.; Esterling, D.M.
1988-01-01
This book contains papers on the subject of modeling in materials science. Topics include thermodynamics of metallic solids and fluids, grain-boundary modeling, fracture from an atomistic point of view, and computer simulation of dislocations on an atomistic level.
Fluid simulation for computer graphics
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.
Mergili, Martin; Fischer, Jan-Thomas; Fellin, Wolfgang; Ostermann, Alexander; Pudasaini, Shiva P.
2015-04-01
Geophysical mass flows stand for a broad range of processes and process chains such as flows and avalanches of snow, soil, debris or rock, and their interactions with water bodies resulting in flood waves. Despite considerable efforts put in model development, the simulation, and therefore the appropriate prediction of these types of events still remains a major challenge in terms of the complex material behaviour, strong phase interactions, process transformations and the complex mountain topography. Sophisticated theories exist, but they have hardly been brought to practice yet. We fill this gap by developing a novel and unified high-resolution computational tool, r.avaflow, representing a comprehensive and advanced open source GIS simulation environment for geophysical mass flows. Based on the latest and most advanced two-phase physical-mathematical models, r.avaflow includes the following features: (i) it is suitable for a broad spectrum of mass flows such as rock, rock-ice and snow avalanches, glacial lake outburst floods, debris and hyperconcentrated flows, and even landslide-induced tsunamis and submarine landslides, as well as process chains involving more than one of these phenomena; (ii) it accounts for the real two-phase nature of many flow types: viscous fluids and solid particles are considered separately with advanced mechanics and strong phase interactions; (iii) it is freely available and adoptable along with the GRASS GIS software. In the future, it will include the intrinsic topographic influences on the flow dynamics and morphology as well as an advanced approach to simulate the entrainment and deposition of solid and fluid material. As input r.avaflow needs information on (a) the mountain topography, (b) the material properties and (c) the spatial distribution of the solid and fluid release masses or one or more hydrographs of fluid and solid material. We demonstrate the functionalities and performance of r.avaflow by using some generic and real
Mohd Adib, Mohd Azrul Hisham; Ii, Satoshi; Watanabe, Yoshiyuki; Wada, Shigeo
2017-02-04
The integration of phase-contrast magnetic resonance images (PC-MRI) and computational fluid dynamics (CFD) is a way to obtain detailed information of patient-specific hemodynamics. This study proposes a novel strategy for imposing a pressure condition on the outlet boundary (called the outlet pressure) in CFD to minimize velocity differences between the PC-MRI measurement and the CFD simulation, and to investigate the effects of outlet pressure on the numerical solution. The investigation involved ten patient-specific aneurysms reconstructed from a digital subtraction angiography image, specifically on aneurysms located at the bifurcation region. To evaluate the effects of imposing the outlet pressure, three different approaches were used, namely: a pressure-fixed (P-fixed) approach; a flow rate control (Q-control) approach; and a velocity-field-optimized (V-optimized) approach. Numerical investigations show that the highest reduction in velocity difference always occurs in the V-optimized approach, where the mean of velocity difference (normalized by inlet velocity) is 19.3%. Additionally, the highest velocity differences appear near to the wall and vessel bifurcation for 60% of the patients, resulting in differences in wall shear stress. These findings provide a new methodology for PC-MRI integrated CFD simulation and are useful for understanding the evaluation of velocity difference between the PC-MRI and CFD.
Simulating chemistry using quantum computers
Kassal, Ivan; Perdomo-Ortiz, Alejandro; Yung, Man-Hong; Aspuru-Guzik, Alán
2010-01-01
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.
Simulating chemistry using quantum computers.
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.
Energy Technology Data Exchange (ETDEWEB)
Pinheiro, Larissa Cunha
2017-07-01
Passive decay heat removal systems based on natural circulation are essential assets for the new Gen III+ nuclear power reactors and nuclear spent fuel pools. The aim of the present work is to study both laminar and turbulent flow and heat transfer in single-phase natural circulation systems through computational fluid dynamics simulations. The working fluid is considered to be incompressible with constant properties. In the way, the Boussinesq Natural Convection Hypothesis was applied. The model chosen for the turbulence closure problem was the k -- εThe commercial computational fluid dynamics code ANSYS CFX 15.0 was used to obtain the numerical solution of the governing equations. Two single-phase natural circulation circuits were studied, a 2D toroidal loop and a 3D rectangular loop, both with the same boundary conditions of: prescribed heat flux at the heater and fixed wall temperature at the cooler. The validation and verification was performed with the numerical data provided by DESRAYAUD et al. [1] and the experimental data provided by MISALE et al. [2] and KUMAR et al. [3]. An excellent agreement between the Reynolds number (Re) and the modified Grashof number (Gr{sub m}), independently of Prandtl Pr number was observed. However, the convergence interval was observed to be variable with Pr, thus indicating that Pr is a stability governing parameter for natural circulation. Multiple steady states was obtained for Pr = 0,7. Finally, the effect of inclination was studied for the 3D circuit, both in-plane and out-of-plane inclinations were verified for the steady state laminar regime. As a conclusion, the Re for the out-of-plane inclination was in perfect agreement with the correlation found for the zero inclination system, while for the in-plane inclined system the results differ from that of the corresponding vertical loop. (author)
Computational Modeling of Simulation Tests.
1980-06-01
Mexico , March 1979. 14. Kinney, G. F.,.::. IeiN, .hoce 1h Ir, McMillan, p. 57, 1962. 15. Courant and Friedrichs, ,U: r. on moca an.: Jho...AD 79 275 NEW MEXICO UNIV ALBUGUERGUE ERIC H WANG CIVIL ENGINE-ETC F/6 18/3 COMPUTATIONAL MODELING OF SIMULATION TESTS.(U) JUN 80 6 LEIGH, W CHOWN, B...COMPUTATIONAL MODELING OF SIMULATION TESTS00 0G. Leigh W. Chown B. Harrison Eric H. Wang Civil Engineering Research Facility University of New Mexico
Uzunyan, S A; Boi, S; Coutrakon, G; Dyshkant, A; Francis, K; Hedin, D; Johnson, E; Kalnins, J; Zutshi, V; Ford, R; Rauch, J E; Rubinov, P; Sellberg, G; Wilson, P; Naimuddin, M
2016-01-01
Northern Illinois University in collaboration with Fermi National Accelerator Laboratory (FNAL) and Delhi University has been designing and building a proton CT scanner for applications in proton treatment planning. The Phase II proton CT scanner consists of eight planes of tracking detectors with two X and two Y coordinate measurements both before and after the patient. In addition, a range stack detector consisting of a stack of thin scintillator tiles, arranged in twelve eight-tile frames, is used to determine the water equivalent path length (WEPL) of each track through the patient. The X-Y coordinates and WEPL are required input for image reconstruction software to find the relative (proton) stopping powers (RSP) value of each voxel in the patient and generate a corresponding 3D image. In this Note we describe tests conducted in 2015 at the proton beam at the Central DuPage Hospital in Warrenville, IL, focusing on the range stack calibration procedure and comparisons with the GEANT~4 range stack simulati...
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.
Computational algorithms for simulations in atmospheric optics.
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.
Computer Simulation of IT-diagrams of Steel
Institute of Scientific and Technical Information of China (English)
B. Smoljan
2004-01-01
Computer simulation of austenite decomposition has been investigated. The inversion method of prediction of phase portion in steel based on hardenability curve of Jominy-specimen has been established. The designed method of prediction austenite decomposition has been used in computer simulation of isothermal transformation (IT) diagram of low alloyed steel. IT-diagrams of low alloyed steel can be successfully predicted by proposed method of computer simulation.
Plasma physics via computer simulation
Birdsall, CK
2004-01-01
PART 1: PRIMER Why attempting to do plasma physics via computer simulation using particles makes good sense Overall view of a one dimensional electrostatic program A one dimensional electrostatic program ES1 Introduction to the numerical methods used Projects for ES1 A 1d electromagnetic program EM1 Projects for EM1 PART 2: THEORY Effects of the spatial grid Effects of the finitw time ste Energy-conserving simulation models Multipole models Kinetic theory for fluctuations and noise; collisions Kinetic properties: theory, experience and heuristic estimates PART 3: PRACTIC
Computer simulation of hard-core models for liquid crystals
Frenkel, D.
1987-01-01
A review is presented of computer simulations of liquid crystal systems. It will be shown that the shape of hard-core particles is of crucial importance for the stability of the phases. Both static and dynamic properties of the systems are obtained by means of computer simulation.
Computer simulation of solder joint failure
Energy Technology Data Exchange (ETDEWEB)
Burchett, S.N.; Frear, D.R. [Sandia National Lab., Albuquerque, NM (United States); Rashid, M.M. [Univ. of California, Davis, CA (United States)
1997-04-01
The thermomechanical fatigue failure of solder joints is increasingly becoming an important reliability issue for electronic packages. The purpose of this Laboratory Directed Research and Development (LDRD) project was to develop computational tools for simulating the behavior of solder joints under strain and temperature cycling, taking into account the microstructural heterogeneities that exist in as-solidified near eutectic Sn-Pb joints, as well as subsequent microstructural evolution. The authors present two computational constitutive models, a two-phase model and a single-phase model, that were developed to predict the behavior of near eutectic Sn-Pb solder joints under fatigue conditions. Unique metallurgical tests provide the fundamental input for the constitutive relations. The two-phase model mathematically predicts the heterogeneous coarsening behavior of near eutectic Sn-Pb solder. The finite element simulations with this model agree qualitatively with experimental thermomechanical fatigue tests. The simulations show that the presence of an initial heterogeneity in the solder microstructure could significantly degrade the fatigue lifetime. The single-phase model was developed to predict solder joint behavior using materials data for constitutive relation constants that could be determined through straightforward metallurgical experiments. Special thermomechanical fatigue tests were developed to give fundamental materials input to the models, and an in situ SEM thermomechanical fatigue test system was developed to characterize microstructural evolution and the mechanical behavior of solder joints during the test. A shear/torsion test sample was developed to impose strain in two different orientations. Materials constants were derived from these tests. The simulation results from the two-phase model showed good fit to the experimental test results.
Inversion based on computational simulations
Energy Technology Data Exchange (ETDEWEB)
Hanson, K.M.; Cunningham, G.S.; Saquib, S.S.
1998-09-01
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.
Phase Computations and Phase Models for Discrete Molecular Oscillators.
Demir, Alper; Şuvak, Önder
2012-01-01
RESEARCH Open Access Phase computations and phase models for discrete molecular oscillators Onder Suvak* and Alper Demir Abstract Background: Biochemical oscillators perform crucial functions in cells, e.g., they set up circadian clocks. The dynamical behavior of oscillators is best described and analyzed in terms of the scalar quantity, phase. A rigorous and useful definition for phase is based on the so-called isochrons of oscillators. Phase computation techniques for ...
FPGA-accelerated simulation of computer systems
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
Radar Landmass Simulation Computer Programming (Interim Report).
RADAR SCANNING, TERRAIN), (*NAVAL TRAINING, RADAR OPERATORS), (*FLIGHT SIMULATORS, TERRAIN AVOIDANCE), (* COMPUTER PROGRAMMING , INSTRUCTION MANUALS), PLAN POSITION INDICATORS, REAL TIME, DISPLAY SYSTEMS, RADAR IMAGES, SIMULATION
Preliminary Phase Field Computational Model Development
Energy Technology Data Exchange (ETDEWEB)
Li, Yulan [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hu, Shenyang Y. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Xu, Ke [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Suter, Jonathan D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); McCloy, John S. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Johnson, Bradley R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Ramuhalli, Pradeep [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
2014-12-15
This interim report presents progress towards the development of meso-scale models of magnetic behavior that incorporate microstructural information. Modeling magnetic signatures in irradiated materials with complex microstructures (such as structural steels) is a significant challenge. The complexity is addressed incrementally, using the monocrystalline Fe (i.e., ferrite) film as model systems to develop and validate initial models, followed by polycrystalline Fe films, and by more complicated and representative alloys. In addition, the modeling incrementally addresses inclusion of other major phases (e.g., martensite, austenite), minor magnetic phases (e.g., carbides, FeCr precipitates), and minor nonmagnetic phases (e.g., Cu precipitates, voids). The focus of the magnetic modeling is on phase-field models. The models are based on the numerical solution to the Landau-Lifshitz-Gilbert equation. From the computational standpoint, phase-field modeling allows the simulation of large enough systems that relevant defect structures and their effects on functional properties like magnetism can be simulated. To date, two phase-field models have been generated in support of this work. First, a bulk iron model with periodic boundary conditions was generated as a proof-of-concept to investigate major loop effects of single versus polycrystalline bulk iron and effects of single non-magnetic defects. More recently, to support the experimental program herein using iron thin films, a new model was generated that uses finite boundary conditions representing surfaces and edges. This model has provided key insights into the domain structures observed in magnetic force microscopy (MFM) measurements. Simulation results for single crystal thin-film iron indicate the feasibility of the model for determining magnetic domain wall thickness and mobility in an externally applied field. Because the phase-field model dimensions are limited relative to the size of most specimens used in
Computer Simulations of Lipid Bilayers and Proteins
DEFF Research Database (Denmark)
Sonne, Jacob
2006-01-01
, Pressure profile calculations in lipid bilayers: A lipid bilayer is merely $\\sim$5~nm thick, but the lateral pressure (parallel to the bilayer plane) varies several hundred bar on this short distance (normal to the bilayer). These variations in the lateral pressure are commonly referred to as the pressure...... of neglecting pressure contributions from long range electrostatic interactions. The first issue is addressed by comparing two methods for calculating pressure profiles, and judged by the similar results obtained by these two methods the pressure profile appears to be well-defined for fluid phase lipid bilayers......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...
Institute of Scientific and Technical Information of China (English)
邵雄飞; 吴忠标
2004-01-01
The flow field of gas and liquid in a φ150mm rotating-stream-tray (RST) scrubber is simulated by using computational fluid dynamic (CFD) method. The simulation is based on the two-equation RNG κ-ε turbulence model, Eulerian multiphase model, mad a real-shape 3D model with a huge number of meshes. The simulation results include detailed information about velocity, pressure, volume fraction and so on. Some features of the flow field are obtained: liquid is atomized in a thin annular zone; a high velocity air zone prevents water drops at the bottom from flying towards the wall;the pressure varies sharply at the end of blades and so on. The results will be helpful for structure optimization and engineering design.
Phase Information in Quantum Oracle Computing
Machta, J.
1998-01-01
Computational devices may be supplied with external sources of information (oracles). Quantum oracles may transmit phase information which is available to a quantum computer but not a classical computer. One consequence of this observation is that there is an oracle which is of no assistance to a classical computer but which allows a quantum computer to solve undecidable problems. Thus useful relativized separations between quantum and classical complexity classes must exclude the transmissio...
Simulated Quantum Computation of Molecular Energies
Aspuru-Guzik, A; Love, P J; Head-Gordon, M; Aspuru-Guzik, Al\\'an; Dutoi, Anthony D.; Love, Peter J.; Head-Gordon, Martin
2005-01-01
The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical interest using modest numbers of quantum bits. Calculations of the water and lithium hydride molecular ground-state energies have been carried out on a quantum computer simulator using a recursive phase-estimation algorithm. The recursive algorithm reduces the number of quantum bits required for the readout register from about 20 to 4. Mappings of the molecular wave function to the quantum bits are described. An adiabatic method for the preparation of a good approximate ground-state wave function is described and demonstrated for a stretched hydrogen molecule. The number of quantum bits required scales linearly with the number of basis functions, and the number of gates required grows polynomially with the number of quantum bits.
Computer Simulation of Radial Immunodiffusion
Trautman, Rodes
1972-01-01
Theories of diffusion with chemical reaction are reviewed as to their contributions toward developing an algorithm needed for computer simulation of immunodiffusion. The Spiers-Augustin moving sink and the Engelberg stationary sink theories show how the antibody-antigen reaction can be incorporated into boundary conditions of the free diffusion differential equations. For this, a stoichiometric precipitate was assumed and the location of precipitin lines could be predicted. The Hill simultaneous linear adsorption theory provides a mathematical device for including another special type of antibody-antigen reaction in antigen excess regions of the gel. It permits an explanation for the lowered antigen diffusion coefficient, observed in the Oudin arrangement of single linear diffusion, but does not enable prediction of the location of precipitin lines. The most promising mathematical approach for a general solution is implied in the Augustin alternating cycle theory. This assumes the immunodiffusion process can be evaluated by alternating computation cycles: free diffusion without chemical reaction and chemical reaction without diffusion. The algorithm for the free diffusion update cycle, extended to both linear and radial geometries, is given in detail since it was based on gross flow rather than more conventional expressions in terms of net flow. Limitations on the numerical integration process using this algorithm are illustrated for free diffusion from a cylindrical well. PMID:4629869
Computer Simulations on a Multidimensional Continuum:
DEFF Research Database (Denmark)
Girault, Isabelle; Pfeffer, Melanie; Chiocarriello, Augusto
2016-01-01
Computer simulations exist on a multidimensional continuum with other educational technologies including static animations, serious games, and virtual worlds. The act of defining simulations is context dependent. In our context of science education, we define simulations as algorithmic, dynamic...... with emphasis on simulations’ algorithmic, dynamic, and simple features. Defined as models, simulations can be computational or conceptual in nature and may reflect hypothetical or real events; such distinctions are addressed. Examples of programs that demonstrate the features of simulations emphasized in our...
QCE : A Simulator for Quantum Computer Hardware
Michielsen, Kristel; Raedt, Hans De
2003-01-01
The Quantum Computer Emulator (QCE) described in this paper consists of a simulator of a generic, general purpose quantum computer and a graphical user interface. The latter is used to control the simulator, to define the hardware of the quantum computer and to debug and execute quantum algorithms.
Strange attractor simulated on a quantum computer
2002-01-01
We show that dissipative classical dynamics converging to a strange attractor can be simulated on a quantum computer. Such quantum computations allow to investigate efficiently the small scale structure of strange attractors, yielding new information inaccessible to classical computers. This opens new possibilities for quantum simulations of various dissipative processes in nature.
Investigating the Effectiveness of Computer Simulations for Chemistry Learning
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…
Investigating the Effectiveness of Computer Simulations for Chemistry Learning
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…
Quantum Monte Carlo simulation of topological phase transitions
Yamamoto, Arata; Kimura, Taro
2016-12-01
We study the electron-electron interaction effects on topological phase transitions by the ab initio quantum Monte Carlo simulation. We analyze two-dimensional class A topological insulators and three-dimensional Weyl semimetals with the long-range Coulomb interaction. The direct computation of the Chern number shows the electron-electron interaction modifies or extinguishes topological phase transitions.
Quantum Monte Carlo simulation of topological phase transitions
Yamamoto, Arata
2016-01-01
We study the electron-electron interaction effects on topological phase transitions by the ab-initio quantum Monte Carlo simulation. We analyze two-dimensional class A topological insulators and three-dimensional Weyl semimetals with the long-range Coulomb interaction. The direct computation of the Chern number shows the electron-electron interaction modifies or extinguishes topological phase transitions.
Memory Optimization for Phase-field Simulations
Energy Technology Data Exchange (ETDEWEB)
Derek Gaston; John Peterson; Andrew Slaughter; Cody Permann; David Andrs
2014-08-01
Phase-field simulations are computationally and memory intensive applications. Many of the phase-field simulations being conducted in support of NEAMS were not capable of running on “normal clusters” with 2-4GB of RAM per core, and instead required specialized “big-memory” clusters with 64GB per core. To address this issue, the MOOSE team developed a new Python-based utility called MemoryLogger, and applied it to locate, diagnose, and eradicate memory bottlenecks within the MOOSE framework. MemoryLogger allows for a better understanding of the memory usage of an application being run in parallel across a cluster. Memory usage information is captured for every individual process in a parallel job, and communicated to the head node of the cluster. Console text output from the application itself is automatically matched with this memory usage information to produce a detailed picture of memory usage over time, making it straightforward to identify the subroutines which contribute most to the application’s peak memory usage. The information produced by the MemoryLogger quickly and effectively narrows the search for memory optimizations to the most data-intensive parts of the simulation.
Computer Simulation and Computabiblity of Biological Systems
Baianu, I C
2004-01-01
The ability to simulate a biological organism by employing a computer is related to the ability of the computer to calculate the behavior of such a dynamical system, or the "computability" of the system. However, the two questions of computability and simulation are not equivalent. Since the question of computability can be given a precise answer in terms of recursive functions, automata theory and dynamical systems, it will be appropriate to consider it first. The more elusive question of adequate simulation of biological systems by a computer will be then addressed and a possible connection between the two answers given will be considered as follows. A symbolic, algebraic-topological "quantum computer" (as introduced in Baianu, 1971b) is here suggested to provide one such potential means for adequate biological simulations based on QMV Quantum Logic and meta-Categorical Modeling as for example in a QMV-based, Quantum-Topos (Baianu and Glazebrook,2004.
Simulation studies of GST phase change alloys
Martyna, Glenn
2008-03-01
In order to help drive post-Moore's Law technology development, switching processes involving novel materials, in particular, GeSbTe (GST) alloys are being investigated for use in memory and eFuse applications. An anneal/quench thermal process crystallizes/amorphosizes a GST alloy which then has a low/high resistance and thereby forms a readable/writeable bit; for example, a ``one'' might be the low resistance, conducting crystalline state and a ``zero'' might be the high resistance, glassy state. There are many open questions about the precise nature of the structural transitions and the coupling to electronic structure changes. Computational and experimental studies of the effect of pressure on the GST materials were initiated in order to probe the physics behind the thermal switching process. A new pathway to reversible phase change involving pressure-induced structural metal insulator transitions was discovered. In a binary GS system, a room-temperature, direct, pressure-induced transformation from the high resistance amorphous phase to the low resistance crystalline phase was observed experimentally while the reverse process under tensile load was demonstrated via ab initio MD simulations performed on IBM's Blue Gene/L enabled by massively parallel software. Pressure induced transformations of the ternary material GST-225 (Ge2Sb2Te5) were, also, examined In the talk, the behavior of the two systems will be compared and insight into the nature of the phase change given.
The Guide to Computer Simulations and Games
Becker, K
2011-01-01
The first computer simulation book for anyone designing or building a game Answering the growing demand for a book catered for those who design, develop, or use simulations and games this book teaches you exactly what you need to know in order to understand the simulations you build or use all without having to earn another degree. Organized into three parts, this informative book first defines computer simulations and describes how they are different from live-action and paper-based simulations. The second section builds upon the previous, with coverage of the technical details of simulations
Computational simulation of liquid fuel rocket injectors
Landrum, D. Brian
1994-01-01
A major component of any liquid propellant rocket is the propellant injection system. Issues of interest include the degree of liquid vaporization and its impact on the combustion process, the pressure and temperature fields in the combustion chamber, and the cooling of the injector face and chamber walls. The Finite Difference Navier-Stokes (FDNS) code is a primary computational tool used in the MSFC Computational Fluid Dynamics Branch. The branch has dedicated a significant amount of resources to development of this code for prediction of both liquid and solid fuel rocket performance. The FDNS code is currently being upgraded to include the capability to model liquid/gas multi-phase flows for fuel injection simulation. An important aspect of this effort is benchmarking the code capabilities to predict existing experimental injection data. The objective of this MSFC/ASEE Summer Faculty Fellowship term was to evaluate the capabilities of the modified FDNS code to predict flow fields with liquid injection. Comparisons were made between code predictions and existing experimental data. A significant portion of the effort included a search for appropriate validation data. Also, code simulation deficiencies were identified.
Biomes computed from simulated climatologies
National Research Council Canada - National Science Library
Claussen, M; Esch, M
1992-01-01
The biome model of Prentice 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...
Computer simulation technology in inertial confinement (ICF)
Energy Technology Data Exchange (ETDEWEB)
Yabe, Takashi (Gunma Univ., Kiryu (Japan). Faculty of Engineering)
1994-12-01
Recent development of computational technologies in inertial confinement fusion (ICF) is reviewed with a special emphasis on hydrodynamic simulations. The CIP method developed for ICF simulations is one of the typical examples that are used in various fields of physics such as variety of computational fluid dynamics, astrophysics, laser applications, geophysics, and so on. (author).
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.
Phase Coherence Zones in Flight Simulation
Jonik, P.M.; Valente Pais, A.R.; Van Paassen, M.M.; Mulder, M.
2011-01-01
In flight simulation detailed knowledge of human motion perception is crucial. Phase differences between inertial and visual motion introduced by motion filters might have negative effects on the fidelity of flight simulation. This study investigated human visual- vestibular phase-error detection. A
FEL Simulation Using Distributed Computing
Energy Technology Data Exchange (ETDEWEB)
Einstein, Joshua [Fermilab; Bernabeu Altayo, Gerard [Fermilab; Biedron, Sandra [Ljubljana U.; Freund, Henry [Colorado State U., Fort Collins; Milton, Stephen [Colorado State U., Fort Collins; van der Slot, Peter [Colorado State U., Fort Collins
2016-06-01
While simulation tools are available and have been used regularly for simulating light sources, the increasing availability and lower cost of GPU-based processing opens up new opportunities. This poster highlights a method of how accelerating and parallelizing code processing through the use of COTS software interfaces.
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.
Computer simulation in physics and engineering
Steinhauser, Martin Oliver
2013-01-01
This work is a needed reference for widely used techniques and methods of computer simulation in physics and other disciplines, such as materials science. The work conveys both: the theoretical foundations of computer simulation as well as applications and "tricks of the trade", that often are scattered across various papers. Thus it will meet a need and fill a gap for every scientist who needs computer simulations for his/her task at hand. In addition to being a reference, case studies and exercises for use as course reading are included.
Computational simulation of liquid rocket injector anomalies
Przekwas, A. J.; Singhal, A. K.; Tam, L. T.; Davidian, K.
1986-01-01
A computer model has been developed to analyze the three-dimensional two-phase reactive flows in liquid fueled rocket combustors. The model is designed to study the influence of liquid propellant injection nonuniformities on the flow pattern, combustion and heat transfer within the combustor. The Eulerian-Lagrangian approach for simulating polidisperse spray flow, evaporation and combustion has been used. Full coupling between the phases is accounted for. A nonorthogonal, body fitted coordinate system along with a conservative control volume formulation is employed. The physical models built into the model include a kappa-epsilon turbulence model, a two-step chemical reaction, and the six-flux radiation model. Semiempirical models are used to describe all interphase coupling terms as well as chemical reaction rates. The purpose of this study was to demonstrate an analytical capability to predict the effects of reactant injection nonuniformities (injection anomalies) on combustion and heat transfer within the rocket combustion chamber. The results show promising application of the model to comprehensive modeling of liquid propellant rocket engines.
Melting line of Yukawa system by computer simulation
Meijer, E.J.; Frenkel, D.
1991-01-01
We located the melting line of the Yukawa system by determining the free energy of both fluid and solid phases by computer simulations. At the high densities the fluid freezes into a body-centered-cubic (bcc) solid, whereas for low densities it freezes into a face-centered-cubic (fcc) solid. For bot
Computer simulation of cytoskeleton-induced blebbing in lipid membranes
DEFF Research Database (Denmark)
Spangler, E. J.; Harvey, C. W.; Revalee, J. D.
2011-01-01
Blebs are balloon-shaped membrane protrusions that form during many physiological processes. Using computer simulation of a particle-based model for self-assembled lipid bilayers coupled to an elastic meshwork, we investigated the phase behavior and kinetics of blebbing. We found that blebs form...
Augmented Reality Simulations on Handheld Computers
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…
Computer Simulation in Information and Communication Engineering
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...
Study Development of the Cardiac Computer Simulations
Institute of Scientific and Technical Information of China (English)
VOLKERHellemanns; ZHANGHong; SEKOUSingare; ZHANGZhen-xi; KONGXiang-yun
2004-01-01
The technique of computer simulations is a very efficient method in investigating mechanisms of many diseases. This paper reviews how the simulations of the human heart started as a simple mathematical models in the past and developed to the point where genetic information is needed to do suitable work like finding out new medicaments against heart diseases. Also the Influence of the development of computer performance in the future as well as the data presentation is described.
Angle, Jesse P.; Nelson, Andrew T.; Men, Danju; Mecartney, Martha L.
2014-11-01
This study investigates the temperature dependent thermal conductivity of multiphase ceramic composites for simulated inert matrix nuclear fuel. Fine grained composites were made of CeO2-MgAl2O4-CeMgAl11O19 or 3Y-TZP-Al2O3-MgAl2O4-LaPO4. CeO2 and 3Y-TZP are used as UO2 surrogates due to their similar structures and low thermal conductivities. Laser flash analysis from room temperature to 1273 K (1000 °C) was used to determine the temperature dependent thermal conductivity. A computational approach using Object Oriented Finite Element Analysis Version 2 (OOF2) was employed to simulate the composite thermal conductivity based on the microstructure. Observed discrepancies between experimental and simulated thermal conductivities at low temperature may be due to Kapitza resistance; however, there is less than 3% deviation between models and experiments above 673 K (400 °C) for both compositions. When the surrogate phase was replaced with UO2 in the computational model for the four-phase composite, a 12-16% increase in thermal conductivity resulted compared to single phase UO2, in the range of 673-1273 K (400-1000 °C). This computational approach may be potentially viable for the high-throughput evaluation of composite systems and the strategic selection of inert phases without extensive sample fabrication during the initial development stages of composite nuclear fuel design.
Computational Dehydration of Crystalline Hydrates Using Molecular Dynamics Simulations
DEFF Research Database (Denmark)
Larsen, Anders Støttrup; Rantanen, Jukka; Johansson, Kristoffer E
2016-01-01
. 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...... 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...... rate, different dehydrated structures were observed. Removing all water molecules immediately and removing water relatively fast (10 water molecules/10 ps) resulted in an amorphous system, whereas relatively slow computational dehydration (3 water molecules/10 ps) resulted in a crystalline anhydrate...
Reservoir Thermal Recover Simulation on Parallel Computers
Li, Baoyan; Ma, Yuanle
The rapid development of parallel computers has provided a hardware background for massive refine reservoir simulation. However, the lack of parallel reservoir simulation software has blocked the application of parallel computers on reservoir simulation. Although a variety of parallel methods have been studied and applied to black oil, compositional, and chemical model numerical simulations, there has been limited parallel software available for reservoir simulation. Especially, the parallelization study of reservoir thermal recovery simulation has not been fully carried out, because of the complexity of its models and algorithms. The authors make use of the message passing interface (MPI) standard communication library, the domain decomposition method, the block Jacobi iteration algorithm, and the dynamic memory allocation technique to parallelize their serial thermal recovery simulation software NUMSIP, which is being used in petroleum industry in China. The parallel software PNUMSIP was tested on both IBM SP2 and Dawn 1000A distributed-memory parallel computers. The experiment results show that the parallelization of I/O has great effects on the efficiency of parallel software PNUMSIP; the data communication bandwidth is also an important factor, which has an influence on software efficiency. Keywords: domain decomposition method, block Jacobi iteration algorithm, reservoir thermal recovery simulation, distributed-memory parallel computer
Salesperson Ethics: An Interactive Computer Simulation
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…
Salesperson Ethics: An Interactive Computer Simulation
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…
Computer simulation and vehicle front optimisation.
Sluis, J. van der
1993-01-01
The influence of the stiffness and shape of a car-front on injuries of bicyclists caused by side collisions was studied by computer simulation. Simulation was a suitable method in this case because of two reasons: variation of shape and stiffness is more difficult to perform in case of an experiment
Simulations of Probabilities for Quantum Computing
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.
[Animal experimentation, computer simulation and surgical research].
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.
Computer simulation to arc spraying
Institute of Scientific and Technical Information of China (English)
梁志芳; 李午申; 王迎娜
2004-01-01
The arc spraying process is divided into two stages: the first stage is atomization-spraying stream (ASS) and the second one is spraying deposition (SD). Then study status is described of both stages' physical model and corresponding controlling-equation. Based on the analysis of study status, the conclusion as follows is got. The heat and mass transfer models with two or three dimensions in ASS stage should be established to far deeply analyses the dynamical and thermal behavior of the overheat droplet. The statistics law of overheated droplets should be further studied by connecting simulation with experiments. More proper validation experiments should be designed for flattening simulation to modify the models in SD stage.
Computer simulation of aeolian bedforms
Institute of Scientific and Technical Information of China (English)
苗天德; 慕青松; 武生智
2001-01-01
A discrete model is set up using the cellular automaton method and applied to simulate the formation and evolution of aeolian bedforms. The calculated bedforms resemble the actual shape of natural sand ripples and dunes.This reveals that the sand movement is a typical nonlinear dynamical process, and that the nesting configuration of sand ripples, dunes and draas are a self-organized system with a fractal characteristic, and evotves simultaneously at various scales in the sand-airflow.
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.)
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.)
Computer simulation of gear tooth manufacturing processes
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.
Atomistic computer simulations a practical guide
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
Polymer Composites Corrosive Degradation: A Computational Simulation
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.
Computer-Aided Simulation of Mastoidectomy
Institute of Scientific and Technical Information of China (English)
CHEN He-xin; MA Zhi-chao; Wang Zhang-feng; GUO Jie-bo; WEN Wei-ping; XU Geng
2008-01-01
Objective To establish a three-dimensional model of the temporal bone using CT scan images for study of temporal bone structures and simulation of mastoidectomy procedures. Methods CT scan images from 6 individuals (12 temporal bones) were used to reconstruct the Fallopian canal, internal auditory canal, cochlea, semicircular canals, sigmoid sinus, posterior fossa floor and jugular bulb on a computer platform. Their anatomical relations within the temporal bone were restored in the computed model. The same model was used to simulate mastoidectomy procedures. Results The reconstructed computer model provided accurate and clear three-dimensional images of temporal bone structures. Simulation of mastoidectomy using these images provided procedural experiences closely mimicking the real surgical procedure. Conclusion Computeraided three dimensional reconstruction of temporal bone structures using CT scan images is a useful tool in surgical simulation and can aid surgical procedure planning.
Computer Code for Nanostructure Simulation
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.
Locating phase transitions in computationally hard problems
Indian Academy of Sciences (India)
B Ashok; T K Patra
2010-09-01
We discuss how phase-transitions may be detected in computationally hard problems in the context of anytime algorithms. Treating the computational time, value and utility functions involved in the search results in analogy with quantities in statistical physics, we indicate how the onset of a computationally hard regime can be detected and the transit to higher quality solutions be quantified by an appropriate response function. The existence of a dynamical critical exponent is shown, enabling one to predict the onset of critical slowing down, rather than finding it after the event, in the specific case of a travelling salesman problem (TSP). This can be used as a means of improving efficiency and speed in searches, and avoiding needless computations.
Random phase-free computer-generated hologram
Shimobaba, Tomoyoshi
2015-01-01
Addition of random phase to the object light is required in computer-generated holograms (CGHs) to widely diffuse the object light and to avoid its concentration on the CGH; however, this addition causes considerable speckle noise in the reconstructed image. For improving the speckle noise problem, techniques such as iterative phase retrieval algorithms and multi-random phase method are used; however, they are time consuming and are of limited effectiveness. Herein, we present a simple and computationally inexpensive method that drastically improves the image quality and reduces the speckle noise by multiplying the object light with the virtual convergence light. Feasibility of the proposed method is shown using simulations and optical reconstructions; moreover, we apply it to lens-less zoom-able holographic projection. The proposed method is useful for the speckle problems in holographic applications.
Random phase-free computer-generated hologram.
Shimobaba, Tomoyoshi; Ito, Tomoyoshi
2015-04-01
Addition of random phase to the object light is required in computer-generated holograms (CGHs) to widely diffuse the object light and to avoid its concentration on the CGH; however, this addition causes considerable speckle noise in the reconstructed image. For improving the speckle noise problem, techniques such as iterative phase retrieval algorithms and multi-random phase method are used; however, they are time consuming and are of limited effectiveness. Herein, we present a simple and computationally inexpensive method that drastically improves the image quality and reduces the speckle noise by multiplying the object light with the virtual convergence light. Feasibility of the proposed method is shown using simulations and optical reconstructions; moreover, we apply it to lens-less zoom-able holographic projection. The proposed method is useful for the speckle problems in holographic applications.
Computer simulation of FCC riser reactors.
Energy Technology Data Exchange (ETDEWEB)
Chang, S. L.; Golchert, B.; Lottes, S. A.; Petrick, M.; Zhou, C. Q.
1999-04-20
A three-dimensional computational fluid dynamics (CFD) code, ICRKFLO, was developed to simulate the multiphase reacting flow system in a fluid catalytic cracking (FCC) riser reactor. The code solve flow properties based on fundamental conservation laws of mass, momentum, and energy for gas, liquid, and solid phases. Useful phenomenological models were developed to represent the controlling FCC processes, including droplet dispersion and evaporation, particle-solid interactions, and interfacial heat transfer between gas, droplets, and particles. Techniques were also developed to facilitate numerical calculations. These techniques include a hybrid flow-kinetic treatment to include detailed kinetic calculations, a time-integral approach to overcome numerical stiffness problems of chemical reactions, and a sectional coupling and blocked-cell technique for handling complex geometry. The copyrighted ICRKFLO software has been validated with experimental data from pilot- and commercial-scale FCC units. The code can be used to evaluate the impacts of design and operating conditions on the production of gasoline and other oil products.
Numerical characteristics of quantum computer simulation
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.
Computer simulation of thermal plant operations
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.
Enabling Computational Technologies for Terascale Scientific Simulations
Energy Technology Data Exchange (ETDEWEB)
Ashby, S.F.
2000-08-24
We develop scalable algorithms and object-oriented code frameworks for terascale scientific simulations on massively parallel processors (MPPs). Our research in multigrid-based linear solvers and adaptive mesh refinement enables Laboratory programs to use MPPs to explore important physical phenomena. For example, our research aids stockpile stewardship by making practical detailed 3D simulations of radiation transport. The need to solve large linear systems arises in many applications, including radiation transport, structural dynamics, combustion, and flow in porous media. These systems result from discretizations of partial differential equations on computational meshes. Our first research objective is to develop multigrid preconditioned iterative methods for such problems and to demonstrate their scalability on MPPs. Scalability describes how total computational work grows with problem size; it measures how effectively additional resources can help solve increasingly larger problems. Many factors contribute to scalability: computer architecture, parallel implementation, and choice of algorithm. Scalable algorithms have been shown to decrease simulation times by several orders of magnitude.
Computer Simulation Instruction: Carrying out Chemical Experiments
Directory of Open Access Journals (Sweden)
Ibtesam Al-Mashaqbeh
2014-05-01
Full Text Available The purpose of this study was to investigate the effect of computer simulation Instruction (CSI on students' achievements: Carrying out chemical experiments to acquire chemical concepts for eleventh grade students. The subject of the study consisted two sections of a one girl's high school in Jordan. One section was randomly assigned to experimental group in which computer simulation Instruction (CSI was used, and the other section was randomly assigned to control group in which students were instructed by using the traditional teaching instruction. The findings indicated that there is progress on the part of the experimental group which used the computer simulation Instruction (CSI and this was reflected positively in the students’ achievement in carrying out chemical experiments to acquire chemical concepts.
Computer-aided simulation of the heat treatment
Energy Technology Data Exchange (ETDEWEB)
Arola, R.; Martikainen, H.; Virta, J. [Technical Research Centre of Finland, Espoo (Finland). Metallurgy Lab.
1993-12-31
Computer-aided simulation of the heat treatment of components and charges is examined. Existing programs for the simulation of heat treatment are reviewed. Test simulations including calculation of temperature, phase composition and stresses and strains during heating and cooling are performed with selected programs. The results of the simulations are compared with the results of heat treating experiments. Heat transfer during heating-up varies considerably between different treatments, components of the charge and surfaces of the component. Therefore, heat transfer data defined on the basis of the measurements has to be used in exact simulation instead of literature data. According to the simulation results non-uniform temperature distribution, plastic straining and residual stresses after heating can be formed in an AISI 316 bar heated up at the edge of a charge in a pit furnace. Permanent bending of these bars as a result of heating is not observed. In the oil quenching of a 42CrMo4 cylinder, where martensite and bainite are formed in austenite decomposition, the simulation results (especially amounts of phases and residual stresses) are crucially dependent on the TTT-diagram describing the kinetics of the phase transformations. Several TTT-diagrams for the steel grade are found, leading to different simulation results
Automatic temperature computation for realistic IR simulation
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.
Structural Composites Corrosive Management by Computational Simulation
Chamis, Christos C.; Minnetyan, Levon
2006-01-01
A simulation of corrosive management on polymer composites 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 managed 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.
Electric Propulsion Plume Simulations Using Parallel Computer
Directory of Open Access Journals (Sweden)
Joseph Wang
2007-01-01
Full Text Available A parallel, three-dimensional electrostatic PIC code is developed for large-scale electric propulsion simulations using parallel supercomputers. This code uses a newly developed immersed-finite-element particle-in-cell (IFE-PIC algorithm designed to handle complex boundary conditions accurately while maintaining the computational speed of the standard PIC code. Domain decomposition is used in both field solve and particle push to divide the computation among processors. Two simulations studies are presented to demonstrate the capability of the code. The first is a full particle simulation of near-thruster plume using real ion to electron mass ratio. The second is a high-resolution simulation of multiple ion thruster plume interactions for a realistic spacecraft using a domain enclosing the entire solar array panel. Performance benchmarks show that the IFE-PIC achieves a high parallel efficiency of ≥ 90%
Time reversibility, computer simulation, and chaos
Hoover, William Graham
1999-01-01
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
Characterization and Computational Modeling of Minor Phases in Alloy LSHR
Jou, Herng-Jeng; Olson, Gregory; Gabb, Timothy; Garg, Anita; Miller, Derek
2012-01-01
The minor phases of powder metallurgy disk superalloy LSHR were studied. Samples were consistently heat treated at three different temperatures for long times to approach equilibrium. Additional heat treatments were also performed for shorter times, to assess minor phase kinetics in non-equilibrium conditions. Minor phases including MC carbides, M23C6 carbides, M3B2 borides, and sigma were identified. Their average sizes and total area fractions were determined. CALPHAD thermodynamics databases and PrecipiCalc(TradeMark), a computational precipitation modeling tool, were employed with Ni-base thermodynamics and diffusion databases to model and simulate the phase microstructural evolution observed in the experiments with an objective to identify the model limitations and the directions of model enhancement.
Perspective: Computer simulations of long time dynamics
Energy Technology Data Exchange (ETDEWEB)
Elber, Ron [Department of Chemistry, The Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, Texas 78712 (United States)
2016-02-14
Atomically detailed computer simulations of complex molecular events attracted the imagination of many researchers in the field as providing comprehensive information on chemical, biological, and physical processes. However, one of the greatest limitations of these simulations is of time scales. The physical time scales accessible to straightforward simulations are too short to address many interesting and important molecular events. In the last decade significant advances were made in different directions (theory, software, and hardware) that significantly expand the capabilities and accuracies of these techniques. This perspective describes and critically examines some of these advances.
Macromod: Computer Simulation For Introductory Economics
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)
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...
GENMAP--A Microbial Genetics Computer Simulation.
Day, M. J.; And Others
1985-01-01
An interactive computer program in microbial genetics is described. The simulation allows students to work at their own pace and develop understanding of microbial techniques as they choose donor bacterial strains, specify selective media, and interact with demonstration experiments. Sample questions and outputs are included. (DH)
Computer simulation on the controlled cooling of 82B high-speed rod
Institute of Scientific and Technical Information of China (English)
Jinqiao Xu; Yazheng Liu; Shumei Zhou
2008-01-01
A modified temperature-phase transformation field coupled nonlinear mathematical model was made and used in com-puter simulation on the controlled cooling of 82B high-speed rods. The surface temperature history and volume fraction of pearlite as well as the phase transformation history were simulated by using the finite element software Marc/Mentat. The simulated results were compared with the actual measurement and the agreement is good which can validate the presented computational models.
SLUDGE BATCH 6 PHASE II FLOWSHEET SIMULATIONS
Energy Technology Data Exchange (ETDEWEB)
Koopman, D.; Best, D.
2010-03-30
Two Sludge Receipt and Adjustment Tank (SRAT) runs were used to demonstrate that a fairly wide window of acid stoichiometry was available for processing SB6 Phase II flowsheet simulant (Tank 40 simulant) while still meeting the dual goals of acceptable nitrate destruction and controlled hydrogen generation. Phase II was an intermediate flowsheet study for the projected composition of Tank 40 after transfer of SB6/Tank 51 sludge to the heel of SB5. The composition was based on August 2009 projections. A window of about 50% in total acid was found between acceptable nitrite destruction and excessive hydrogen generation.
Spiking network simulation code for petascale computers
Kunkel, Susanne; Schmidt, Maximilian; Eppler, Jochen M.; Plesser, Hans E.; Masumoto, Gen; Igarashi, Jun; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus; Helias, Moritz
2014-01-01
Brain-scale networks exhibit a breathtaking heterogeneity in the dynamical properties and parameters of their constituents. At cellular resolution, the entities of theory are neurons and synapses and over the past decade researchers have learned to manage the heterogeneity of neurons and synapses with efficient data structures. Already early parallel simulation codes stored synapses in a distributed fashion such that a synapse solely consumes memory on the compute node harboring the target neuron. As petaflop computers with some 100,000 nodes become increasingly available for neuroscience, new challenges arise for neuronal network simulation software: Each neuron contacts on the order of 10,000 other neurons and thus has targets only on a fraction of all compute nodes; furthermore, for any given source neuron, at most a single synapse is typically created on any compute node. From the viewpoint of an individual compute node, the heterogeneity in the synaptic target lists thus collapses along two dimensions: the dimension of the types of synapses and the dimension of the number of synapses of a given type. Here we present a data structure taking advantage of this double collapse using metaprogramming techniques. After introducing the relevant scaling scenario for brain-scale simulations, we quantitatively discuss the performance on two supercomputers. We show that the novel architecture scales to the largest petascale supercomputers available today. PMID:25346682
Spiking network simulation code for petascale computers
Directory of Open Access Journals (Sweden)
Susanne eKunkel
2014-10-01
Full Text Available Brain-scale networks exhibit a breathtaking heterogeneity in the dynamical properties and parameters of their constituents. At cellular resolution, the entities of theory are neurons and synapses and over the past decade researchers have learned to manage the heterogeneity of neurons and synapses with efficient data structures. Already early parallel simulation codes stored synapses in a distributed fashion such that a synapse solely consumes memory on the compute node harboring the target neuron. As petaflop computers with some 100,000 nodes become increasingly available for neuroscience, new challenges arise for neuronal network simulation software: Each neuron contacts on the order of 10,000 other neurons and thus has targets only on a fraction of all compute nodes; furthermore, for any given source neuron, at most a single synapse is typically created on any compute node. From the viewpoint of an individual compute node, the heterogeneity in the synaptic target lists thus collapses along two dimensions: the dimension of the types of synapses and the dimension of the number of synapses of a given type. Here we present a data structure taking advantage of this double collapse using metaprogramming techniques. After introducing the relevant scaling scenario for brain-scale simulations, we quantitatively discuss the performance on two supercomputers. We show that the novel architecture scales to the largest petascale supercomputers available today.
Simulations of astronomical imaging phased arrays.
Saklatvala, George; Withington, Stafford; Hobson, Michael P
2008-04-01
We describe a theoretical procedure for analyzing astronomical phased arrays with overlapping beams and apply the procedure to simulate a simple example. We demonstrate the effect of overlapping beams on the number of degrees of freedom of the array and on the ability of the array to recover a source. We show that the best images are obtained using overlapping beams, contrary to common practice, and show how the dynamic range of a phased array directly affects the image quality.
Computer simulations of phospholipid-membrane thermodynamic fluctuations
Pedersen, Ulf R; Schrøder, Thomas B; Dyre, Jeppe C
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 by averaging over 0.5 nanosecond) volume and energy exhibit strong correlation. These quantities on the other hand do not correlate significantly with area, thickness, or order parameter. The correlations are mainly reported for the fluid phase, but we also give results for the ordered (gel) phase of two 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 the similar strong correlations recently observed in computer simulations of the Lennard-Jones and other simple v...
Computational Simulation of Complex Structure Fancy Yarns
Institute of Scientific and Technical Information of China (English)
无
2007-01-01
A study is reported for mathematical model and simulation of complex structure fancy yarns. The investigated complex structure fancy yarns have a multithread structure composed of three components -core, effect, and binder yams. In current research the precondition was accepted that the cross-sections of the both two yarns of the effect intermediate product in the complex structure fancy yarn remain the circles shaped, and this shape does not change during manufacturing of the fancy yarn. Mathematical model of complex structure fancy yarn is established based on parameter equation of space helix line and computer simulation is further carried out using the computational mathematical tool Matlab 6.5. Theoretical structure of fancy yarn is compared with an experimental sample. The simulation system would help for further the set ofinformation in designing of new assortment of the complex structure fancy yarns and prediction of visual effects of fancy yarns in end-use fabrics.
Cosmological Simulations on a Grid of Computers
Depardon, Benjamin; Desprez, Frédéric; Blaizot, Jérémy; Courtois, Hélène M
2010-01-01
The work presented in this paper aims at restricting the input parameter values of the semi-analytical model used in GALICS and MOMAF, so as to derive which parameters influence the most the results, e.g., star formation, feedback and halo recycling efficiencies, etc. Our approach is to proceed empirically: we run lots of simulations and derive the correct ranges of values. The computation time needed is so large, that we need to run on a grid of computers. Hence, we model GALICS and MOMAF execution time and output files size, and run the simulation using a grid middleware: DIET. All the complexity of accessing resources, scheduling simulations and managing data is harnessed by DIET and hidden behind a web portal accessible to the users.
Mathematical Model of ComputerHeat Treatment and Its Simulation
Institute of Scientific and Technical Information of China (English)
PanJiansheng; ZhangWeimin; TianDong; GuJianfeng; HuMingjuan
2004-01-01
Computer simulation on heat treatment is the foundation of intelligent heat treatment. The simulations of temperature field,phase transformation, stress/strain complicate quenching operation were realized by using the model of three dimensional non-linear finite element method and the treatment methods of abruptly changing interface conditions. The simulation results basically fit those measured in experiments. The intelligent sealed multipurpose furnace production line has been developed based on the combination of computer simulation on gaseous carburizing and computer control technology. More than 3000 batches of workpieces have been processed on this production line, and all are up to standard. The application of computer simulation technology can significantly improve the loading ability and reliability of nitriding and carburizing workpieces, reduce heat treatment distortion, and shorten carburizing duration. It is recommended that the reliable product design without redundancy should be performed with the combination of the CAD of mechanical products, the CAE of materials selection and heat treatment, and the dynamic evaluation technology of product reliability.
Simulating Human Cognitive Using Computational Verb Theory
Institute of Scientific and Technical Information of China (English)
YANGTao
2004-01-01
Modeling and simulation of a life system is closely connected to the modeling of cognition,especially for advanced life systems. The primary difference between an advanced life system and a digital computer is that the advanced life system consists of a body with mind while a digital computer is only a mind in a formal sense. To model an advanced life system one needs to symbols into a body where a digital computer is embedded. In this paper, a computational verb theory is proposed as a new paradigm of grounding symbols into the outputs of sensors. On one hand, a computational verb can preserve the physical "meanings" of the dynamics of sensor data such that a symbolic system can be used to manipulate physical meanings instead of abstract tokens in the digital computer. On the other hand, the physical meanings of an abstract symbol/token, which is usually an output of a reasoning process in the digital computer, can be restored and fed back to the actuators. Therefore, the computational verb theory bridges the gap between symbols and physical reality from the dynamic cognition perspective.
Cokonis, T. J.
The papers presented in this volume provide examples of the impact of computers on present engineering practice and indicate some future trends in computer-aided design, manufacturing, and simulation. Topics discussed include computer-aided design of turbine cycle configuration, managing and development of engineering computer systems, computer-aided manufacturing with robots in the automotive industry, and computer-aided design/analysis techniques of composite materials in the cure phase. Papers are also presented on computer simulation of vehicular propulsion systems, the performance of a hydraulic system simulator in a CAD environment, and computer simulation of hovercraft heave dynamics and control.
Adiabatic quantum computation and quantum phase transitions
Latorre, J I; Latorre, Jose Ignacio; Orus, Roman
2003-01-01
We analyze the ground state entanglement in a quantum adiabatic evolution algorithm designed to solve the NP-complete Exact Cover problem. The entropy of entanglement seems to obey linear and universal scaling at the point where the mass gap becomes small, suggesting that the system passes near a quantum phase transition. Such a large scaling of entanglement suggests that the effective connectivity of the system diverges as the number of qubits goes to infinity and that this algorithm cannot be efficiently simulated by classical means. On the other hand, entanglement in Grover's algorithm is bounded by a constant.
Fluid dynamics theory, computation, and numerical simulation
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...
Fluid Dynamics Theory, Computation, and Numerical Simulation
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 ...
Computational Challenges in Nuclear Weapons Simulation
Energy Technology Data Exchange (ETDEWEB)
McMillain, C F; Adams, T F; McCoy, M G; Christensen, R B; Pudliner, B S; Zika, M R; Brantley, P S; Vetter, J S; May, J M
2003-08-29
After a decade of experience, the Stockpile Stewardship Program continues to ensure the safety, security and reliability of the nation's nuclear weapons. The Advanced Simulation and Computing (ASCI) program was established to provide leading edge, high-end simulation capabilities needed to meet the program's assessment and certification requirements. The great challenge of this program lies in developing the tools and resources necessary for the complex, highly coupled, multi-physics calculations required to simulate nuclear weapons. This paper describes the hardware and software environment we have applied to fulfill our nuclear weapons responsibilities. It also presents the characteristics of our algorithms and codes, especially as they relate to supercomputing resource capabilities and requirements. It then addresses impediments to the development and application of nuclear weapon simulation software and hardware and concludes with a summary of observations and recommendations on an approach for working with industry and government agencies to address these impediments.
Computer program for equilibrium calculation and diffusion simulation
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
A computer program called TKCALC(thermodynamic and kinetic calculation) has been successfully developedfor the purpose of phase equilibrium calculation and diffusion simulation in ternary substitutional alloy systems. The program was subsequently applied to calculate the isothermal sections of the Fe-Cr-Ni system and predict the concentrationprofiles of two γ/γ single-phase diffusion couples in the Ni-Cr-Al system. The results are in excellent agreement withTHERMO-CALC and DICTRA software packages. Detailed mathematical derivation of some important formulae involvedis also elaborated
microlith : Image Simulation for Biological Phase Microscopy
Mehta, Shalin B
2013-01-01
Accurate simulation of image formation remains under-exploited for biological phase microscopy methods that employ partially coherent illumination, despite being important for the design of imaging systems and the reconstruction algorithms. We present an open-source MATLAB toolbox, microlith (https://code.google.com/p/microlith), that provides accurate simulation of the 3D image of a thin specimen under any partially coherent imaging system, including coherent or incoherent systems. We demonstrate the accuracy of the microlith toolbox by comparing simulated images and experimental images of a phase-only Siemens star test target using dark field and differential interference contrast microscopes. The comparison leads to intriguing insights about the sensitivity of the dark-field microscope to sub-resolution features and effects of specimen birefringence on differential interference contrast.
Computer Simulations of Lipid Bilayers and Proteins
DEFF Research Database (Denmark)
Sonne, Jacob
2006-01-01
, the improved force field makes it possible to simulate the biologically relevant fluid ($L_{\\alpha}$) phase in an NPT ensemble, which is an important prerequisite for taking full advantage of the predictive power of MD simulations since the area per lipid need not be known prior to simulation. Chapter 4...... in the pressure profile since the pressure profile cannot be measured in traditional experiments. Even so, pressure profile calculations from MD simulations are not trivial due to both fundamental and technical issues. We addressed two such issues namely the uniqueness of the pressure profile and the effect......CD belongs to the adonesine triphosphate (ATP) binding cassette (ABC) transporter family that use ATP to drive active transport of a wide variety of compounds across cell membranes. BtuCD accounts for vitamin B12 import into Escherichia coli and is one of the only ABC transporters for which a reliable...
Computational fluid dynamics for sport simulation
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.
Computer Simulation for Emergency Incident Management
Energy Technology Data Exchange (ETDEWEB)
Brown, D L
2004-12-03
This report describes the findings and recommendations resulting from the Department of Homeland Security (DHS) Incident Management Simulation Workshop held by the DHS Advanced Scientific Computing Program in May 2004. This workshop brought senior representatives of the emergency response and incident-management communities together with modeling and simulation technologists from Department of Energy laboratories. The workshop provided an opportunity for incident responders to describe the nature and substance of the primary personnel roles in an incident response, to identify current and anticipated roles of modeling and simulation in support of incident response, and to begin a dialog between the incident response and simulation technology communities that will guide and inform planned modeling and simulation development for incident response. This report provides a summary of the discussions at the workshop as well as a summary of simulation capabilities that are relevant to incident-management training, and recommendations for the use of simulation in both incident management and in incident management training, based on the discussions at the workshop. In addition, the report discusses areas where further research and development will be required to support future needs in this area.
Computer Simulation of Convective Plasma Cells
Carboni, Rodrigo
2015-01-01
Computer simulations of plasmas are relevant nowadays, because it helps us understand physical processes taking place in the sun and other stellar objects. We developed a program called PCell which is intended for displaying the evolution of the magnetic field in a 2D convective plasma cell with perfect conducting walls for different stationary plasma velocity fields. Applications of this program are presented. This software works interactively with the mouse and the users can create their own movies in MPEG format. The programs were written in Fortran and C. There are two versions of the program (GNUPLOT and OpenGL). GNUPLOT and OpenGL are used to display the simulation.
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....... The simulation sheds light on issues that are not amenable to analytical solutions, such as the spectral content of the wave forms, cross talk in three-beam interaction, and the range of applications of the band-transport model. (C) 1998 Optical Society of America....
Ultrasonic Phased Array Simulations of Welded Components at NASA
Roth, D. J.; Tokars, R. P.; Martin, R. E.; Rauser, R. W.; Aldrin, J. C.
2009-01-01
Comprehensive and accurate inspections of welded components have become of increasing importance as NASA develops new hardware such as Ares rocket segments for future exploration missions. Simulation and modeling will play an increasing role in the future for nondestructive evaluation in order to better understand the physics of the inspection process, to prove or disprove the feasibility for an inspection method or inspection scenario, for inspection optimization, for better understanding of experimental results, and for assessment of probability of detection. This study presents simulation and experimental results for an ultrasonic phased array inspection of a critical welded structure important for NASA future exploration vehicles. Keywords: nondestructive evaluation, computational simulation, ultrasonics, weld, modeling, phased array
Understanding membrane fouling mechanisms through computational simulations
Xiang, Yuan
This dissertation focuses on a computational simulation study on the organic fouling mechanisms of reverse osmosis and nanofiltration (RO/NF) membranes, which have been widely used in industry for water purification. The research shows that through establishing a realistic computational model based on available experimental data, we are able to develop a deep understanding of membrane fouling mechanism. This knowledge is critical for providing a strategic plan for membrane experimental community and RO/NF industry for further improvements in membrane technology for water treatment. This dissertation focuses on three major research components (1) Development of the realistic molecular models, which could well represent the membrane surface properties; (2) Investigation of the interactions between the membrane surface and foulants by steered molecular dynamics simulations, in order to determine the major factors that contribute to surface fouling; and (3) Studies of the interactions between the surface-modified membranes (polyethylene glycol) to provide strategies for antifouling.
Time reversibility, computer simulation, algorithms, chaos
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...
Computer simulation of molecular sorption in zeolites
Calmiano, M D
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 computat...
Computer Modelling and Simulation for Inventory Control
Directory of Open Access Journals (Sweden)
G.K. Adegoke
2012-07-01
Full Text Available This study concerns the role of computer simulation as a device for conducting scientific experiments on inventory control. The stores function utilizes a bulk of physical assets and engages a bulk of financial resources in a manufacturing outfit therefore there is a need for an efficient inventory control. The reason being that inventory control reduces cost of production and thereby facilitates the effective and efficient accomplishment of production objectives of an organization. Some mathematical and statistical models were used to compute the Economic Order Quantity (EOQ. Test data were gotten from a manufacturing company and same were simulated. The results generated were used to predict a real life situation and have been presented and discussed. The language of implementation for the three models is Turbo Pascal due to its capability, generality and flexibility as a scientific programming language.
Basic simulation models of phase tracking devices using Matlab
Tranter, William
2010-01-01
The Phase-Locked Loop (PLL), and many of the devices used for frequency and phase tracking, carrier and symbol synchronization, demodulation, and frequency synthesis, are fundamental building blocks in today's complex communications systems. It is therefore essential for both students and practicing communications engineers interested in the design and implementation of modern communication systems to understand and have insight into the behavior of these important and ubiquitous devices. Since the PLL behaves as a nonlinear device (at least during acquisition), computer simulation can be used
Computer Simulation of Convective Plasma Cells
Carboni, Rodrigo; Frutos-Alfaro, Francisco
2015-01-01
Computer simulations of plasmas are relevant nowadays, because it helps us understand physical processes taking place in the sun and other stellar objects. We developed a program called PCell which is intended for displaying the evolution of the magnetic field in a 2D convective plasma cell with perfect conducting walls for different stationary plasma velocity fields. Applications of this program are presented. This software works interactively with the mouse and the users can create their ow...
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......, focusing on universality of the ac response in the extreme disorder limit. Finally, some important unsolved problems relating to hopping models for ac conduction are listed....
Computer simulation of the micropulse imaging lidar
Dai, Yongjiang; Zhao, Hongwei; Zhao, Yu; Wang, Xiaoou
2000-10-01
In this paper a design method of the Micro Pulse Lidar (MPL) is introduced, that is a computer simulation of the MPL. Some of the MPL parameters concerned air scattered and the effects on the performance of the lidar are discussed. The design software for the lidar with diode pumped solid laser is programmed by MATLAB. This software is consisted of six modules, that is transmitter, atmosphere, target, receiver, processor and display system. The method can be extended some kinds of lidar.
Computer simulation of complexity in plasmas
Energy Technology Data Exchange (ETDEWEB)
Hayashi, Takaya; Sato, Tetsuya [National Inst. for Fusion Science, Toki, Gifu (Japan)
1998-08-01
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)
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.
On architectural acoustic design using computer simulation
DEFF Research Database (Denmark)
Schmidt, Anne Marie Due; Kirkegaard, Poul Henning
2004-01-01
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......Architectural acoustics design has in the past been based on simple design rules. However, with a growing complexity in architectural acoustics and the emergence of room acoustic simulation programmes with considerable potential, it is now possible to subjectively analyse and evaluate acoustic...... 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...
On architectural acoustic design using computer simulation
DEFF Research Database (Denmark)
Schmidt, Anne Marie Due; Kirkegaard, Poul Henning
2004-01-01
Architectural acoustics design has in the past been based on simple design rules. However, with a growing complexity in architectural acoustics and the emergence of room acoustic simulation programmes with considerable potential, it is now possible to subjectively analyse and evaluate acoustic...... 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...
QCWAVE, a Mathematica quantum computer simulation update
Tabakin, Frank
2011-01-01
This Mathematica 7.0/8.0 package upgrades and extends the quantum computer simulation code called QDENSITY. Use of the density matrix was emphasized in QDENSITY, although that code was also applicable to a quantum state description. In the present version, the quantum state version is stressed and made amenable to future extensions to parallel computer simulations. The add-on QCWAVE extends QDENSITY in several ways. The first way is to describe the action of one, two and three- qubit quantum gates as a set of small ($2 \\times 2, 4\\times 4$ or $8\\times 8$) matrices acting on the $2^{n_q}$ amplitudes for a system of $n_q$ qubits. This procedure was described in our parallel computer simulation QCMPI and is reviewed here. The advantage is that smaller storage demands are made, without loss of speed, and that the procedure can take advantage of message passing interface (MPI) techniques, which will hopefully be generally available in future Mathematica versions. Another extension of QDENSITY provided here is a mu...
Computer simulations in the science classroom
Richards, John; Barowy, William; Levin, Dov
1992-03-01
In this paper we describe software for science instruction that is based upon a constructivist epistemology of learning. From a constructivist perspective, the process of learning is viewed as an active construction of knowledge, rather than a passive reception of information. The computer has the potential to provide an environment in which students can explore their understanding and better construct scientific knowledge. The Explorer is an interactive environment that integrates animated computer models with analytic capabilities for learning and teaching science. The system include graphs, a spreadsheet, scripting, and interactive tools. During formative evaluation of Explorer in the classroom, we have focused on learning the function and effectiveness of computer models in teaching science. Models have helped students relate theory to experiment when used in conjunction with hands-on activities and when the simulation addressed students' naive understanding of the phenomena. Two classroom examples illustrate our findings. The first is based on the dynamics of colliding objects. The second describes a class modeling the function of simple electric circuits. The simulations bridge between phenomena and theory by providing an abstract representation on which students may make measurements. Simulations based on scientific theory help to provide a set of interrelated experiences that challenge students' informal understanding of the science.
Accelerating Climate Simulations Through Hybrid Computing
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.
Simulating Boolean circuits on a DNA computer
Energy Technology Data Exchange (ETDEWEB)
Ogihara, Mitsunori; Ray, A. [Univ. of Rochester, NY (United States)
1997-12-01
We demonstrate that DNA computers can simulate Boolean circuits with a small overhead. Boolean circuits embody the notion of massively parallel signal processing and are frequently encountered in many parallel algorithms. Many important problems such as sorting, integer arithmetic, and matrix multiplication are known to be computable by small size Boolean circuits much faster than by ordinary sequential digital computers. This paper shows that DNA chemistry allows one to simulate large semi-unbounded fan-in Boolean circuits with a logarithmic slowdown in computation time. Also, for the class NC{sup 1}, the slowdown can be reduced to a constant. In this algorithm we have encoded the inputs, the Boolean AND gates, and the OR gates to DNA oligonucleotide sequences. We operate on the gates and the inputs by standard molecular techniques of sequence-specific annealing, ligation, separation by size, amplification, sequence-specific cleavage, and detection by size. Additional steps of amplification are not necessary for NC{sup 1} circuits. Preliminary biochemical experiments on a small test circuit have produced encouraging results. Further confirmatory experiments are in progress. 19 refs., 3 figs., 1 tab.
Computer simulation in nuclear science and engineering
Energy Technology Data Exchange (ETDEWEB)
Akiyama, Mamoru; Miya, Kenzo; Iwata, Shuichi; Yagawa, Genki; Kondo, Shusuke (Tokyo Univ. (Japan)); Hoshino, Tsutomu; Shimizu, Akinao; Takahashi, Hiroshi; Nakagawa, Masatoshi
1992-03-01
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.).
Computer Simulations of the Fatigue Crack Propagation
Directory of Open Access Journals (Sweden)
A. Materna
2000-01-01
Full Text Available The following hypothesis for design of structures based on the damage tolerance philosophy is laid down: the perpendicular fatigue crack growth rate v in a certain point of a curved crack front is given by the local value of stress intensity factor per unit of nominal stress K' and the local triaxiality T which describes the constraint. The relationship v = f (K', T is supposed to be typical for a given loading spectrum and material. Such relationship for a 2024 Al alloy and the flight-simulation spectrum was derived from the fatigue test of the rectangular panel with the central hole and used for three-dimensional simulation of the corner fatigue crack propagation in the model of the wing spar flangeplate. Finite element and boundary element methods were used for these computations. The results of the simulation are in good agreement with the experiment.
Binary Sparse Phase Retrieval via Simulated Annealing
Directory of Open Access Journals (Sweden)
Wei Peng
2016-01-01
Full Text Available This paper presents the Simulated Annealing Sparse PhAse Recovery (SASPAR algorithm for reconstructing sparse binary signals from their phaseless magnitudes of the Fourier transform. The greedy strategy version is also proposed for a comparison, which is a parameter-free algorithm. Sufficient numeric simulations indicate that our method is quite effective and suggest the binary model is robust. The SASPAR algorithm seems competitive to the existing methods for its efficiency and high recovery rate even with fewer Fourier measurements.
Computational Phase Imaging for Biomedical Applications
Nguyen, Tan Huu
When a sample is illuminated by an imaging field, its fingerprints are left on the amplitude and the phase of the emerging wave. Capturing the information of the wavefront grants us a deeper understanding of the optical properties of the sample, and of the light-matter interaction. While the amplitude information has been intensively studied, the use of the phase information has been less common. Because all detectors are sensitive to intensity, not phase, wavefront measurements are significantly more challenging. Deploying optical interferometry to measure phase through phase-intensity conversion, quantitative phase imaging (QPI) has recently gained tremendous success in material and life sciences. The first topic of this dissertation describes our effort to develop a new QPI setup, named transmission Spatial Light Interference Microscopy (tSLIM), that uses the twisted nematic liquid-crystal (TNLC) modulators. Compared to the established SLIM technique, tSLIM is much less expensive to build than its predecessor (SLIM) while maintaining significant performance. The tSLIM system uses parallel aligned liquid-crystal (PANLC) modulators, has a slightly smaller signal-to-noise Ratio (SNR), and a more complicated model for the image formation. However, such complexity is well addressed by computing. Most importantly, tSLIM uses TNLC modulators that are popular in display LCDs. Therefore, the total cost of the system is significantly reduced. Alongside developing new imaging modalities, we also improved current QPI imaging systems. In practice, an incident field to the sample is rarely perfectly spatially coherent, i.e., plane wave. It is generally partially coherent; i.e., it comprises of many incoherent plane waves coming from multiple directions. This illumination yields artifacts in the phase measurement results, e.g., halo and phase-underestimation. One solution is using a very bright source, e.g., a laser, which can be spatially filtered very well. However, the
Numerical simulation of landfill aeration using computational fluid dynamics.
Fytanidis, Dimitrios K; Voudrias, Evangelos A
2014-04-01
The present study is an application of Computational Fluid Dynamics (CFD) to the numerical simulation of landfill aeration systems. Specifically, the CFD algorithms provided by the commercial solver ANSYS Fluent 14.0, combined with an in-house source code developed to modify the main solver, were used. The unsaturated multiphase flow of air and liquid phases and the biochemical processes for aerobic biodegradation of the organic fraction of municipal solid waste were simulated taking into consideration their temporal and spatial evolution, as well as complex effects, such as oxygen mass transfer across phases, unsaturated flow effects (capillary suction and unsaturated hydraulic conductivity), temperature variations due to biochemical processes and environmental correction factors for the applied kinetics (Monod and 1st order kinetics). The developed model results were compared with literature experimental data. Also, pilot scale simulations and sensitivity analysis were implemented. Moreover, simulation results of a hypothetical single aeration well were shown, while its zone of influence was estimated using both the pressure and oxygen distribution. Finally, a case study was simulated for a hypothetical landfill aeration system. Both a static (steadily positive or negative relative pressure with time) and a hybrid (following a square wave pattern of positive and negative values of relative pressure with time) scenarios for the aeration wells were examined. The results showed that the present model is capable of simulating landfill aeration and the obtained results were in good agreement with corresponding previous experimental and numerical investigations.
Digital Correlation Tracker, Phase 1. Computer Simulation
1975-03-01
34 ^’»’■-’ »■.»iiimmaiuii.i.i.wiwijw^.". «!it..i ».■.■, !MHwy«li|| pipi |Mlii|i|l|||||^tllMiW’Blli^lM *tl!^WB^W»^^KPi|i. I ■’.! ^ In examining the data, the
Quantum Computing Resource Estimate of Molecular Energy Simulation
Whitfield, James D; Aspuru-Guzik, Alán
2010-01-01
Over the last century, ingenious physical and mathematical insights paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, efficient methods for the exact simulation of quantum systems on classical computers do not exist. The present paper reports an extension of one of the authors' previous work [Aspuru-Guzik et al., Science {309} p. 1704, (2005)] where it was shown that the chemical Hamiltonian can be efficiently simulated using a quantum computer. In particular, we report in detail how a set of molecular integrals can be used to create a quantum circuit that allows the energy of a molecular system with fixed nuclear geometry to be extracted using the phase estimation algorithm proposed by Abrams and Lloyd [Phys. Rev. Lett. {83} p. 5165, (1999)]. We extend several known results related to this idea and present numerical examples of the state preparation procedure required in the algorithm. With future quantum devices in mind, we provide a compl...
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.
New Computer Simulations of Macular Neural Functioning
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.
Computational Power of Symmetry-Protected Topological Phases
Stephen, David T.; Wang, Dong-Sheng; Prakash, Abhishodh; Wei, Tzu-Chieh; Raussendorf, Robert
2017-07-01
We consider ground states of quantum spin chains with symmetry-protected topological (SPT) order as resources for measurement-based quantum computation (MBQC). We show that, for a wide range of SPT phases, the computational power of ground states is uniform throughout each phase. This computational power, defined as the Lie group of executable gates in MBQC, is determined by the same algebraic information that labels the SPT phase itself. We prove that these Lie groups always contain a full set of single-qubit gates, thereby affirming the long-standing conjecture that general SPT phases can serve as computationally useful phases of matter.
Multidimensional computer simulation of Stirling cycle engines
Hall, C. A.; Porsching, T. A.; Medley, J.; Tew, R. C.
1990-01-01
The computer code ALGAE (algorithms for the gas equations) treats incompressible, thermally expandable, or locally compressible flows in complicated two-dimensional flow regions. The solution method, finite differencing schemes, and basic modeling of the field equations in ALGAE are applicable to engineering design settings of the type found in Stirling cycle engines. The use of ALGAE to model multiple components of the space power research engine (SPRE) is reported. Videotape computer simulations of the transient behavior of the working gas (helium) in the heater-regenerator-cooler complex of the SPRE demonstrate the usefulness of such a program in providing information on thermal and hydraulic phenomena in multiple component sections of the SPRE.
Computer simulation of spacecraft/environment interaction.
Krupnikov, K K; Makletsov, A A; Mileev, V N; Novikov, L S; Sinolits, V V
1999-10-01
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.
Computer simulation of spacecraft/environment interaction
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.
Investigation of Carbohydrate Recognition via Computer Simulation
Directory of Open Access Journals (Sweden)
Quentin R. Johnson
2015-04-01
Full Text Available Carbohydrate recognition by proteins, such as lectins and other (biomolecules, can be essential for many biological functions. Recently, interest has arisen due to potential protein and drug design and future bioengineering applications. A quantitative measurement of carbohydrate-protein interaction is thus important for the full characterization of sugar recognition. We focus on the aspect of utilizing computer simulations and biophysical models to evaluate the strength and specificity of carbohydrate recognition in this review. With increasing computational resources, better algorithms and refined modeling parameters, using state-of-the-art supercomputers to calculate the strength of the interaction between molecules has become increasingly mainstream. We review the current state of this technique and its successful applications for studying protein-sugar interactions in recent years.
COMPUTER SIMULATION OF POLYMER SOLUTION THERMODYNAMICS
Institute of Scientific and Technical Information of China (English)
无
1998-01-01
The statistical counting method for the computer simulation of the thermodynamic quantities of polymer solution has been reviewed. The calculating results for a single athermal chain confirm the theory of the renormalization group. The results for the athermal solution are consistent with the scaling law of the osmotic pressure with the exponent 2.25. The results for a single chain with the segmental interaction are in a good agreement with the exact results obtained by the direct counting method. The results for the polymer solution show us that the Flory-Huggins parameter is strongly dependent on both the polymer concentration and the interaction energy between segments.
The Learning Effects of Computer Simulations in Science Education
Rutten, Nico; van Joolingen, Wouter R.; van der Veen, Jan T.
2012-01-01
This article reviews the (quasi)experimental research of the past decade on the learning effects of computer simulations in science education. The focus is on two questions: how use of computer simulations can enhance traditional education, and how computer simulations are best used in order to improve learning processes and outcomes. We report on…
Multiscale Computer Simulation of Failure in Aerogels
Good, Brian S.
2008-01-01
Aerogels have been of interest to the aerospace community primarily for their thermal properties, notably their low thermal conductivities. While such gels are typically fragile, recent advances in the application of conformal polymer layers to these gels has made them potentially useful as lightweight structural materials as well. We have previously performed computer simulations of aerogel thermal conductivity and tensile and compressive failure, with results that are in qualitative, and sometimes quantitative, agreement with experiment. However, recent experiments in our laboratory suggest that gels having similar densities may exhibit substantially different properties. In this work, we extend our original diffusion limited cluster aggregation (DLCA) model for gel structure to incorporate additional variation in DLCA simulation parameters, with the aim of producing DLCA clusters of similar densities that nevertheless have different fractal dimension and secondary particle coordination. We perform particle statics simulations of gel strain on these clusters, and consider the effects of differing DLCA simulation conditions, and the resultant differences in fractal dimension and coordination, on gel strain properties.
On Architectural Acoustics Design using Computer Simulation
DEFF Research Database (Denmark)
Schmidt, Anne Marie Due; Kirkegaard, Poul Henning
2004-01-01
is to investigate the field of application an acoustic simulation program can have during an architectural acoustics design process. A case study is carried out in order to represent the iterative working process of an architect. The working process is divided into five phases and represented by typical results......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...
On simulated annealing phase transitions in phylogeny reconstruction.
Strobl, Maximilian A R; Barker, Daniel
2016-08-01
Phylogeny reconstruction with global criteria is NP-complete or NP-hard, hence in general requires a heuristic search. We investigate the powerful, physically inspired, general-purpose heuristic simulated annealing, applied to phylogeny reconstruction. Simulated annealing mimics the physical process of annealing, where a liquid is gently cooled to form a crystal. During the search, periods of elevated specific heat occur, analogous to physical phase transitions. These simulated annealing phase transitions play a crucial role in the outcome of the search. Nevertheless, they have received comparably little attention, for phylogeny or other optimisation problems. We analyse simulated annealing phase transitions during searches for the optimal phylogenetic tree for 34 real-world multiple alignments. In the same way in which melting temperatures differ between materials, we observe distinct specific heat profiles for each input file. We propose this reflects differences in the search landscape and can serve as a measure for problem difficulty and for suitability of the algorithm's parameters. We discuss application in algorithmic optimisation and as a diagnostic to assess parameterisation before computationally costly, large phylogeny reconstructions are launched. Whilst the focus here lies on phylogeny reconstruction under maximum parsimony, it is plausible that our results are more widely applicable to optimisation procedures in science and industry.
Computer simulation of rod-sphere mixtures
Energy Technology Data Exchange (ETDEWEB)
Antypov, Dmytro
2003-07-01
Results are presented from a series of simulations undertaken to investigate the effect of adding small spherical particles to a fluid of rods which would otherwise represent a liquid crystalline (LC) substance. Firstly, a bulk mixture of Hard Gaussian Overlap particles with an aspect ratio of 3:1 and hard spheres with diameters equal to the breadth of the rods is simulated at various sphere concentrations. Both mixing-demixing and isotropic-nematic transition are studied using Monte Carlo techniques. Secondly, the effect of adding Lennard-Jones particles to an LC system modelled using the well established Gay-Berne potential is investigated. These rod-sphere mixtures are simulated using both the original set of interaction parameters and a modified version of the rod-sphere potential proposed in this work. The subject of interest is the internal structure of the binary mixture and its dependence on density, temperature, concentration and various parameters characterising the intermolecular interactions. Both the mixing-demixing behaviour and the transitions between the isotropic and any LC phases have been studied for four systems which differ in the interaction potential between unlike particles. A range of contrasting microphase separated structures including bicontinuous, cubic, and micelle-like arrangement have been observed in bulk. Thirdly, the four types of mixtures previously studied in bulk are subjected to a static magnetic field. A variety of novel phases are observed for the cases of positive and negative anisotropy in the magnetic susceptibility. These include a lamellar structure, in which layers of rods are separated by layers of spheres, and a configuration with a self-assembling hexagonal array of spheres. Finally, two new models are presented to study liquid crystal mixtures in the presence of curved substrates. These are implemented for the cases of convex and concave spherical surfaces. The simulation results obtained in these geometries
Computational simulation of concurrent engineering for aerospace propulsion systems
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.
Computational simulation for concurrent engineering of aerospace propulsion systems
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.
Determining material parameters using phase-field simulations and experiments
DEFF Research Database (Denmark)
Zhang, Jin; Poulsen, Stefan O.; Gibbs, John W.
2017-01-01
A method to determine material parameters by comparing the evolution of experimentally determined 3D microstructures to simulated 3D microstructures is proposed. The temporal evolution of a dendritic solid-liquid mixture is acquired in situ using x-ray tomography. Using a time step from these dat...... variation of the best-fit parameters and the fidelity of the fitting. We find a liquid diffusion coefficient that is different from that measured using directional solidification....... as an initial condition in a phase-field simulation, the computed structure is compared to that measured experimentally at a later time. An optimization technique is used to find the material parameters that yield the best match of the simulated microstructure to the measured microstructure in a global manner...
CFD Simulation of the NREL Phase VI Rotor
Song, Yang
2014-01-01
The simulation of the turbulent and potentially separating flow around a rotating, twisted, and tapered airfoil is a challenging task for CFD simulations. This paper describes CFD simulations of the NREL Phase VI turbine that was experimentally characterized in the 24.4m x 36.6m NREL/NASA Ames wind tunnel (Hand et al., 2001). All computations in this article are performed on the experimental base configuration of 0o yaw angle, 3o tip pitch angle, and a rotation rate of 72 rpm. The significance of specific mesh resolution regions to the accuracy of the CFD prediction is discussed. The ability of CFD to capture bulk quantities, such as the shaft torque, and the detailed flow characteristics, such as the surface pressure distributions, are explored for different inlet wind speeds. Finally, the significant three-dimensionality of the boundary layer flow is demonstrated.
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
1994-12-31
The flash smelting process has been extensively studied during its over 40 years existence. Laboratory or pilot scale experiments can not, however, predict all the complicated and coupled phenomena taking place in a flash smelting furnace. Development of commercial modelling software and increasingly efficient computers have brought a new tool to researchers for more comprehensive investigation of the transport and combustion processes taking place in the flash smelting process. A flash smelting furnace and a waste-heat boiler geometry have been simulated in two- and three-dimensional laboratory models which have, in turn, been modeled by using commercial Computational-Fluid-Dynamics -software. The computer simulation has then been extended to an industrial-scale furnace and waste-heat boiler. The work has proceeded from cold gas flow to heat transfer, combustion, and two-phase flow simulations. In the present approach, the modelling task has been divided into submodels. Outlet values of a model are used as inlet values in the subsequent submodel. Heat transfer calculations have been carried out starting from very basic considerations. Different options of the software and heat transfer modes have been tested, and hot gas flow through the furnace and boiler has been simulated. Validation of the models was carried out with temperature measurements from the uptake shaft. Also one geometrical variation of the uptake shaft has been simulated, namely turning the outlet of the shaft 90 degrees. Combustion of sulphides is approximated with gaseous combustion by using a built-in combustion model of the software. The waste-heat boiler has been simulated first as an empty geometry, and adding gradually approximated radiation curtains and convection tube bundles. Both convection and radiation heat transfer were considered. (orig.)
Phase locked loops design, simulation, and applications
Best, Roland E
2007-01-01
The Definitive Introduction to Phase-Locked Loops, Complete with Software for Designing Wireless Circuits! The Sixth Edition of Roland Best's classic Phase-Locked Loops has been updated to equip you with today's definitive introduction to PLL design, complete with powerful PLL design and simulation software written by the author. Filled with all the latest PLL advances, this celebrated sourcebook now includes new chapters on frequency synthesis…CAD for PLLs…mixed-signal PLLs…all-digital PLLs…and software PLLs_plus a new collection of sample communications applications. An essential tool for achieving cutting-edge PLL design, the Sixth Edition of Phase-Locked Loops features: A wealth of easy-to-use methods for designing phase-locked loops Over 200 detailed illustrations New to this edition: new chapters on frequency synthesis, including fractional-N PLL frequency synthesizers using sigma-delta modulators; CAD for PLLs, mixed-signal PLLs, all-digital PLLs, and software PLLs; new PLL communications ap...
Computer Simulation of Cytoskeleton-Induced Blebbing in Lipid Membranes
Spangler, Eric J; Revalee, Joel D; Kumar, P B Sunil; Laradji, Mohamed
2011-01-01
Blebs are balloon-shaped membrane protrusions that form during many physiological processes. Using computer simulation of a particle-based model for self-assembled lipid bilayers coupled to an elastic meshwork, we investigated the phase behavior and kinetics of blebbing. We found that blebs form for large values of the ratio between the areas of the bilayer and the cytoskeleton. We also found that blebbing can be induced when the cytoskeleton is subject to a localized ablation or a uniform compression. The results obtained are qualitatively in agreement with the experimental evidence and the model opens up the possibility to study the kinetics of bleb formation in detail.
Computer Simulation of Developmental Processes and ...
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
Investigating European genetic history through computer simulations.
Currat, Mathias; Silva, Nuno M
2013-01-01
The genetic diversity of Europeans has been shaped by various evolutionary forces including their demographic history. Genetic data can thus be used to draw inferences on the population history of Europe using appropriate statistical methods such as computer simulation, which constitutes a powerful tool to study complex models. Here, we focus on spatially explicit simulation, a method which takes population movements over space and time into account. We present its main principles and then describe a series of studies using this approach that we consider as particularly significant in the context of European prehistory. All simulation studies agree that ancient demographic events played a significant role in the establishment of the European gene pool; but while earlier works support a major genetic input from the Near East during the Neolithic transition, the most recent ones revalue positively the contribution of pre-Neolithic hunter-gatherers and suggest a possible impact of very ancient demographic events. This result of a substantial genetic continuity from pre-Neolithic times to the present challenges some recent studies analyzing ancient DNA. We discuss the possible reasons for this discrepancy and identify future lines of investigation in order to get a better understanding of European evolution.
Computer Simulation of the UMER Gridded Gun
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...
Scoring multipole electrostatics in condensed-phase atomistic simulations.
Bereau, Tristan; Kramer, Christian; Monnard, Fabien W; Nogueira, Elisa S; Ward, Thomas R; Meuwly, Markus
2013-05-09
Permanent multipoles (MTPs) embody a natural extension to common point-charge (PC) representations in atomistic simulations. In this work, we propose an alternative to the computationally expensive MTP molecular dynamics simulations by running a simple PC simulation and later reevaluate-"score''-all energies using the more detailed MTP force field. The method, which relies on the assumption that the PC and MTP force fields generate closely related phase spaces, is accomplished by enforcing identical sets of monopoles between the two force fields-effectively highlighting the higher MTP terms as a correction to the PC approximation. We first detail our consistent parametrization of the electrostatics and van der Waals interactions for the two force fields. We then validate the method by comparing the accuracy of protein-ligand binding free energies from both PC and MTP-scored representations with experimentally determined binding constants obtained by us. Specifically, we study the binding of several arylsulfonamide ligands to human carbonic anhydrase II. We find that both representations yield an accuracy of 1 kcal/mol with respect to experiment. Finally, we apply the method to rank the energetic contributions of individual atomic MTP coefficients for molecules solvated in water. All in all, MTP scoring is a computationally appealing method that can provide insight into the multipolar electrostatic interactions of condensed-phase systems.
Quantifying uncertainty and computational complexity for pore-scale simulations
Chen, C.; Yuan, Z.; Wang, P.; Yang, X.; Zhenyan, L.
2016-12-01
Pore-scale simulation is an essential tool to understand the complex physical process in many environmental problems, from multi-phase flow in the subsurface to fuel cells. However, in practice, factors such as sample heterogeneity, data sparsity and in general, our insufficient knowledge of the underlying process, render many simulation parameters and hence the prediction results uncertain. Meanwhile, most pore-scale simulations (in particular, direct numerical simulation) incur high computational cost due to finely-resolved spatio-temporal scales, which further limits our data/samples collection. To address those challenges, we propose a novel framework based on the general polynomial chaos (gPC) and build a surrogate model representing the essential features of the underlying system. To be specific, we apply the novel framework to analyze the uncertainties of the system behavior based on a series of pore-scale numerical experiments, such as flow and reactive transport in 2D heterogeneous porous media and 3D packed beds. Comparing with recent pore-scale uncertainty quantification studies using Monte Carlo techniques, our new framework requires fewer number of realizations and hence considerably reduce the overall computational cost, while maintaining the desired accuracy.
Physics Detector Simulation Facility Phase II system software description
Energy Technology Data Exchange (ETDEWEB)
Scipioni, B.; Allen, J.; Chang, C.; Huang, J.; Liu, J.; Mestad, S.; Pan, J.; Marquez, M.; Estep, P.
1993-05-01
This paper presents the Physics Detector Simulation Facility (PDSF) Phase II system software. A key element in the design of a distributed computing environment for the PDSF has been the separation and distribution of the major functions. The facility has been designed to support batch and interactive processing, and to incorporate the file and tape storage systems. By distributing these functions, it is often possible to provide higher throughput and resource availability. Similarly, the design is intended to exploit event-level parallelism in an open distributed environment.
Evaluation of Marine Corps Manpower Computer Simulation Model
2016-12-01
MARINE CORPS MANPOWER COMPUTER SIMULATION MODEL by Eric S. Anderson December 2016 Thesis Advisor: Arnold Buss Second Reader: Neil Rowe...Master’s thesis 4. TITLE AND SUBTITLE EVALUATION OF MARINE CORPS MANPOWER COMPUTER SIMULATION MODEL 5. FUNDING NUMBERS ACCT: 622716 JON...overall end strength are maintained. To assist their mission, an agent-based computer simulation model was developed in the Java computer language
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
Simulation of Phase Effects in Imaging for Mesoscale NDE
Energy Technology Data Exchange (ETDEWEB)
Aufderheide, III, M B; Barty, A; Martz, Jr., H E
2004-08-26
High energy density experiments, such as those planned at the National Ignition Facility (NIF), use mesoscale targets with the goals of studying high energy density physics, inertial confinement fusion, and the support of national security needs. Mesoscale targets are typically several millimeters in size and have complex micrometer-sized structures composed of high-density metals and low-density foams and ices. These targets are designed with exacting tolerances that are difficult to achieve at present. Deviation from these tolerances can result in compromise of experimental goals and thus it is necessary to determine as-built properties of these targets using NDE techniques. Radiography and computed tomography are being used to investigate these targets, but the mix between phase and absorption information is difficult to separate, making interpretation of results difficult. We have recently improved the HADES radiographic simulation code to include phase in simulations, as an aid for doing NDE on mesoscale targets. In this paper we report on how we extended HADES to incorporate phase effects, and compare simulations with a variety of experimental test results.
Computer simulation of a magnetohydrodynamic dynamo. II
Kageyama, Akira; Sato, Tetsuya; Complexity Simulation Group
1995-05-01
A computer simulation of a magnetohydrodynamic dynamo in a rapidly rotating spherical shell is performed. Extensive parameter runs are carried out changing electrical resistivity. When resistivity is sufficiently small, total magnetic energy can grow more than ten times larger than total kinetic energy of convection motion which is driven by an unlimited external energy source. When resistivity is relatively large and magnetic energy is comparable or smaller than kinetic energy, the convection motion maintains its well-organized structure. However, when resistivity is small and magnetic energy becomes larger than kinetic energy, the well-organized convection motion is highly irregular. The magnetic field is organized in two ways. One is the concentration of component parallel to the rotation axis and the other is the concentration of perpendicular component. The parallel component tends to be confined inside anticyclonic columnar convection cells, while the perpendicular component is confined outside convection cells.
Rivera, Mariano; Bizuet, Rocky; Martinez, Amalia; Rayas, Juan A
2006-04-17
We present a phase shifting robust method for irregular and unknown phase steps. The method is formulated as the minimization of a half-quadratic (robust) regularized cost function for simultaneously computing phase maps and arbitrary phase shifts. The convergence to, at least, a local minimum is guaranteed. The algorithm can be understood as a phase refinement strategy that uses as initial guess a coarsely computed phase and coarsely estimated phase shifts. Such a coarse phase is assumed to be corrupted with artifacts produced by the use of a phase shifting algorithm but with imprecise phase steps. The refinement is achieved by iterating alternated minimization of the cost function for computing the phase map correction, an outliers rejection map and the phase shifts correction, respectively. The method performance is demonstrated by comparison with standard filtering and arbitrary phase steps detecting algorithms.
Iterative coupling reservoir simulation on high performance computers
Institute of Scientific and Technical Information of China (English)
Lu Bo; Wheeler Mary F
2009-01-01
In this paper, the iterative coupling approach is proposed for applications to solving multiphase flow equation systems in reservoir simulation, as it provides a more flexible time-stepping strategy than existing approaches. The iterative method decouples the whole equation systems into pressure and saturation/concentration equations, and then solves them in sequence, implicitly and semi-implicitly. At each time step, a series of iterations are computed, which involve solving linearized equations using specific tolerances that are iteration dependent. Following convergence of subproblems, material balance is checked. Convergence of time steps is based on material balance errors. Key components of the iterative method include phase scaling for deriving a pressure equation and use of several advanced numerical techniques. The iterative model is implemented for parallel computing platforms and shows high parallel efficiency and scalability.
Computer simulation of confined and flexoelectric liquid crystalline systems
Barmes, F
2003-01-01
In this Thesis, systems of confined and flexoelectric liquid crystal systems have been studied using molecular computer simulations. The aim of this work was to provide a molecular model of a bistable display cell in which switching is induced through the application of directional electric field pulses. In the first part of this Thesis, the study of confined systems of liquid crystalline particles has been addressed. Computation of the anchoring phase diagrams for three different surface interaction models showed that the hard needle wall and rod-surface potentials induce both planar and homeotropic alignment separated by a bistability region, this being stronger and wider for the rod-surface varant. The results obtained using the rod-sphere surface model, in contrast, showed that tilled surface arrangements can be induced by surface absorption mechanisms. Equivalent studies of hybrid anchored systems showed that a bend director structure can be obtained in a slab with monostable homeotropic anchoring at the...
Associative Memory computing power and its simulation
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...
Associative Memory Computing Power and Its Simulation
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...
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.
Engineering Fracking Fluids with Computer Simulation
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.
Application of computer simulated persons in indoor environmental modeling
DEFF Research Database (Denmark)
Topp, C.; Nielsen, P. V.; Sørensen, Dan Nørtoft
2002-01-01
Computer simulated persons are often applied when the indoor environment is modeled by computational fluid dynamics. The computer simulated persons differ in size, shape, and level of geometrical complexity, ranging from simple box or cylinder shaped heat sources to more humanlike models. Little...
Computing with phase locked loops: choosing gains and delays.
Piqueira, J C; Orsatti, F M; Monteiro, L A
2003-01-01
We simulate a four-node fully connected phase-locked loop (PLL) network with an architecture similar to the neural network proposed by Hoppensteadt and Izhikevich (1999, 2000), using second-order PLLs. The idea is to complement their work analyzing some engineering questions like:how the individual gain of the nodes affects the synchronous state of whole network; how the individual gain of the nodes affects the acquisition time of the whole network; how close the free-running frequencies of the nodes need to be in order to the network be able to acquire the synchronous state; how the delays between nodes affect the synchronous state frequency. The computational results show that the Hoppensteadt-Izhikevich network is robust to the variation of these parameters and their effects are described through graphics showing the dependence of the synchronous state frequency and acquisition time with gains, free-running frequencies, and delays.
Glasses for 3D ultrasound computer tomography: phase compensation
Zapf, M.; Hopp, T.; Ruiter, N. V.
2016-03-01
Ultrasound Computer Tomography (USCT), developed at KIT, is a promising new imaging system for breast cancer diagnosis, and was successfully tested in a pilot study. The 3D USCT II prototype consists of several hundreds of ultrasound (US) transducers on a semi-ellipsoidal aperture. Spherical waves are sequentially emitted by individual transducers and received in parallel by many transducers. Reflectivity volumes are reconstructed by synthetic aperture focusing (SAFT). However, straight forward SAFT imaging leads to blurred images due to system imperfections. We present an extension of a previously proposed approach to enhance the images. This approach includes additional a priori information and system characteristics. Now spatial phase compensation was included. The approach was evaluated with a simulation and clinical data sets. An increase in the image quality was observed and quantitatively measured by SNR and other metrics.
Simulation and modeling of two-phase bubbly flows
Energy Technology Data Exchange (ETDEWEB)
Sylvain L Pigny; Pierre F Coste [DEN/DER/SSTH, CEA/Grenoble, 38054 Grenoble Cedex 9 (France)
2005-07-01
Full text of publication follows: Phenomena related to bubbles in two-phase recirculating flows are investigated, via the computational code SIMMER, concerning an experiment in which air is injected in the lower part of a tank filled of water and initially at rest. Averaged mass and momentum transport equations are solved for air and water. Close to the injector, the formation of individual large bubbles is represented in the calculations, via direct simulation. Small scale phenomena, related to small bubbles behavior or turbulence in the liquid continuous phase, are modeled, in a statistical way, via classical closure laws. In a first calculation, the splitting of large bubbles is not represented. It is shown that this phenomenon, the space scale of which is close to the cell size, cannot be simulated, in view of the present computational resources. Nevertheless, relatively fine meshes are used, for an accurate description of hydrodynamical phenomena, and the splitting phenomenon is too large to be modeled via closure laws. A specific approach for the intermediate scales is therefore developed to represent it. (authors)
High-pressure fluid phase equilibria phenomenology and computation
Deiters, Ulrich K
2012-01-01
The book begins with an overview of the phase diagrams of fluid mixtures (fluid = liquid, gas, or supercritical state), which can show an astonishing variety when elevated pressures are taken into account; phenomena like retrograde condensation (single and double) and azeotropy (normal and double) are discussed. It then gives an introduction into the relevant thermodynamic equations for fluid mixtures, including some that are rarely found in modern textbooks, and shows how they can they be used to compute phase diagrams and related properties. This chapter gives a consistent and axiomatic approach to fluid thermodynamics; it avoids using activity coefficients. Further chapters are dedicated to solid-fluid phase equilibria and global phase diagrams (systematic search for phase diagram classes). The appendix contains numerical algorithms needed for the computations. The book thus enables the reader to create or improve computer programs for the calculation of fluid phase diagrams. introduces phase diagram class...
Phase transitions of adsorbed fluids computed from multiplehistogram reweighting
Shi, Wei; Zhao, Xiongce; Johnson, J. Karl
This paper demonstrates the effectiveness of using multiple-histogram reweighting (MHR) to study phase transitions in confined fluids by examining capillary condensation, prewetting, and layering transitions for different systems. A comparison is made with previously published simulations, where available, to establish the accuracy of MHR as applied to inhomogeneous systems. Overlap between adjacent state points is assessed through single-histogram reweighting. Capillary condensation for methane adsorption in slit-like graphite pores exhibits 2D behaviour. Crossover of the effective exponent for the width of the coexistence curve from 2D Ising-like (1/8) further away from the critical point to mean-field (1/2) near the critical point is observed. The reduced critical temperature, the density and the effective value of the exponent for the model system are 0.77, 0.482, and 0.119, respectively, based on a fit to the simulation data. Prewetting transitions are observed for adsorption of Ar on solid CO 2 using model potentials. The wetting temperature is estimated based on the intersection of the prewetting and bulk vapour-liquid lines, and also by extrapolation to zero of the difference between the saturation and prewetting chemical potentials. The reduced wetting temperature is estimated to be around 0.69. The reduced prewetting critical temperature, calculated from the disappearance of the two peaks in the density probability distribution, is estimated to be 0.92. The monolayer to bilayer (1-2) transition for propane on graphite is computed over a range of temperatures. Results for the 1-2 layering transition computed from MHR from a small system are in good agreement with grand canonical Monte Carlo simulations for a much larger system.
Institute of Scientific and Technical Information of China (English)
邵雄飞; 吴忠标
2004-01-01
The flow field of gas and liquid in a φ150 mm rotating-stream-tray (RST) scrubber is simulated by using computational fluid dynamic (CFD) method. The simulation is based on the two-equation RNG k-εturbulence model, Eulerian multiphase model, and a real-shape 3D model with a huge number of meshes. The simulation results include detailed information about velocity,pressure, volume fraction and so on. Some features of the flow field are obtained: liquid is atomized in a thin annular zone; a high velocity air zone prevents water drops at the bottom from flying towards the wall; the pressure varies sharply at the end of blades and so on. The results will be helpful for structure optimization and engineering design.
Partial enthalpies and related quantities in mixtures from computer simulation
Sindzingre, P.; Ciccotti, G.; Massobrio, C.; Frenkel, D.
1987-01-01
We report a method of calculating partial molar quantities in mixtures by computer simulation. The method is based on an extension of Widom's potential distribution theorem and provides an alternative way of computing partial enthalpies and volumes.
COMPUTER NUMERICAL SIMULATION OF MECHANICAL PROPERTIES OF TUNGSTEN HEAVY ALLOYS
Institute of Scientific and Technical Information of China (English)
无
1999-01-01
A microstructure model of tungsten heavy alloys has been developed. On the basis of the model and several assumptions, the macro-mechanical properties of 90 W heavy alloy under quasi-static tensile deformation and the effects of microstructural parameters (mechanical properties of the matrix phase and tungsten content) on them have been analyzed by computer numerical simulation. The mechanical properties of the alloy have been found to be dependent on the mechanical parameters of the matrix phase. As the elastic modulus and yield strength of the matrix phase increase, the tensile strength of the alloy increases, while the elongation decreases. If the mechanical parameters except the tensile strength of the matrix phase are constant, both the tensile strength and the elongation of the alloy increase linearly with the increase of tensile strength of the matrix phase. The properties of the alloy are very sensitive to the hardening modulus of the matrix phase. As the hardening modulus increases, both the tensile strength and the elongation of the alloy exponentially decrease. The elongation of the alloys monotonically decreases with the increase of tungsten content, while the decrease of tensile strength is not monotonic. When the tungsten content ＜ 85 %, the strength of tungsten heavy alloys increases with the increase of tungsten content, while decreases when the tungsten content ＞85 %. The maximum of tensile strength of the alloys appears at the tungsten content of 85 %. The results showed that the binder phase with a higher strength and a lower hardening modulus is advantageous to obtaining an optimum combination of mechanical properties of tungsten heavy alloys.
A wavelet based numerical simulation technique for the two-phase flow using the phase field method
Alam, Jahrul M
2016-01-01
In multiphase flow phenomena, bubbles and droplets are advected, deformed, break up into smaller ones, and coalesce with each other. A primary challenge of classical computational fluid dynamics (CFD) methods for such flows is to effectively describe a transition zone between phases across which physical properties vary steeply but continuously. Based on the van der Waals theory, Allen-Cahn phase field method describes the face-to-face existence of two fluids with a free-energy functional of mass density or molar concentration, without imposing topological constraints on interface as phase boundary. In this article, a CFD simulation methodology is described by solving the Allen-Cahn-Navier-Stokes equations using a wavelet collocation method. The second order temporal accuracy is verified by simulating a moving sharp interface. The average terminal velocity of a rising gas bubble in a liquid that is computed by the present method has agreed with that computed by a laboratory experiment. The calculation of the ...
PHASIM, an advanced phased array antenna software simulator
Keizer, W.P.M.N.
2000-01-01
A sophisticated phased array simulator software package for the design and analysis of planar phased array antennas is presented. This package can accurately simulate the far-field characteristics of a large variety of planar phased array configurations in both the frequency and time domain. The sim
Quantum mechanical force fields for condensed phase molecular simulations
Giese, Timothy J.; York, Darrin M.
2017-09-01
Molecular simulations are powerful tools for providing atomic-level details into complex chemical and physical processes that occur in the condensed phase. For strongly interacting systems where quantum many-body effects are known to play an important role, density-functional methods are often used to provide the model with the potential energy used to drive dynamics. These methods, however, suffer from two major drawbacks. First, they are often too computationally intensive to practically apply to large systems over long time scales, limiting their scope of application. Second, there remain challenges for these models to obtain the necessary level of accuracy for weak non-bonded interactions to obtain quantitative accuracy for a wide range of condensed phase properties. Quantum mechanical force fields (QMFFs) provide a potential solution to both of these limitations. In this review, we address recent advances in the development of QMFFs for condensed phase simulations. In particular, we examine the development of QMFF models using both approximate and ab initio density-functional models, the treatment of short-ranged non-bonded and long-ranged electrostatic interactions, and stability issues in molecular dynamics calculations. Example calculations are provided for crystalline systems, liquid water, and ionic liquids. We conclude with a perspective for emerging challenges and future research directions.
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.
Simulation and Data Processing for Ultrasonic Phased-Arrays Applications
Chaffaï-Gargouri, S.; Chatillon, S.; Mahaut, S.; Le Ber, L.
2007-03-01
The use of phased-arrays techniques has considerably contributed to extend the domain of applications and the performances of ultrasonic methods on complex configurations. Their adaptability offers a great freedom for conceiving the inspection leading to a wide range of functionalities gathering electronic commutation, applications of different delay laws and so on. This advantage allows to circumvent the difficulties encountered with more classical techniques especially when the inspection is assisted by simulation at the different stages : probe design (optimization of the number and characteristics of the elements), evaluation of the performances in terms of flaw detection (zone coverage) and characterization, driving the array (computation of adapted delay laws) and finally analyzing the results (versatile model-based imaging tools allowing in particular to locate the data in the real space). The CEA is strongly involved in the development of efficient simulation-based tools adapted to these needs. In this communication we present the recent advances done at CEA in this field and show several examples of complex NDT phased arrays applications. On these cases we show the interest and the performances of simulation-helped array design, array-driving and data analysis.
QDENSITY—A Mathematica quantum computer simulation
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
Detached-eddy simulation of flow around the NREL phase VI blade
DEFF Research Database (Denmark)
Johansen, Jeppe; Sørensen, Niels N.; Michelsen, J.A.;
2002-01-01
–Stokes method in the boundary layer with a large-eddy simulation in the free shear flow. The present study focuses on static and dynamic stall regions highly relevant for stall-regulated wind turbines. Computations do predict force coefficients and pressure distributions fairly well. Results using detached-eddy......The detached-eddy simulation model implemented in the computational fluid dynamics code EllipSys3D is used to calculate the flow around the non-rotating NREL Phase VI wind turbine blade. Results are presented for flow around a parked blade at fixed angle of attack and a blade pitching along...... the blade axis. Computed blade characteristics are compared with experimental data from the NREL/NASA Ames Phase VI unsteady experiment. The detached-eddy simulation model is a method for predicting turbulence in computational fluid dynamics computations, which combines a Reynolds-averaged Navier...
Factors promoting engaged exploration with computer simulations
Directory of Open Access Journals (Sweden)
Noah S. Podolefsky
2010-10-01
Full Text Available This paper extends prior research on student use of computer simulations (sims to engage with and explore science topics, in this case wave interference. We describe engaged exploration; a process that involves students actively interacting with educational materials, sense making, and exploring primarily via their own questioning. We analyze interviews with college students using PhET sims in order to demonstrate engaged exploration, and to identify factors that can promote this type of inquiry. With minimal explicit guidance, students explore the topic of wave interference in ways that bear similarity to how scientists explore phenomena. PhET sims are flexible tools which allow students to choose their own learning path, but also provide constraints such that students’ choices are generally productive. This type of inquiry is supported by sim features such as concrete connections to the real world, representations that are not available in the real world, analogies to help students make meaning of and connect across multiple representations and phenomena, and a high level of interactivity with real-time, dynamic feedback from the sim. These features of PhET sims enable students to pose questions and answer them in ways that may not be supported by more traditional educational materials.
Computer simulation of combustion of mine fires
Institute of Scientific and Technical Information of China (English)
余明高; 张和平; 范维澄; 王清安
2002-01-01
According to control theories, mine fires can be considered as an unsteady process after the normal ventilation system is disturbed. Applied the principal of physical chemistry and thermal fluid mechanics, the parameters models of the unsteady state system have been given, such as fuel combustion rate, heat of combustion, concentration, temperature, heat losses, heat resistance, work of expansion and heat pressure difference. The results of the calculation agree approximately with the results of the test. By the computer simulation, it is shown that the main factor of producing the throttling effect is the fire rate, second is the heat resistance and the heat pressure difference. The rate of heat flow that passes through the airway wall is the maximum on the surface, and decrease with time. The heat transfer progresses only within the range of 0.5 m away from theairway wall during combustion for 2 hours. Its variable for the mass flux rate and the percentage concentration of the gas along the airway of the downstream. When the delayed time is very small, the variation can be neglected. Viscosity resistance is the main part of the heat resistance, second is the expansion resistance that is less than tens Pascal when Mach number is very small. Work of expansion is principally turned into heat losses, only a very small part is consumed by the work of the heat resistance and the inertia acceleration.
A multisegment computer simulation of normal human gait.
Gilchrist, L A; Winter, D A
1997-12-01
The goal of this project was to develop a computer simulation of normal human walking that would use as driving moments resultant joint moments from a gait analysis. The system description, initial conditions and driving moments were taken from an inverse dynamics analysis of a normal walking trial. A nine-segment three-dimensional (3-D) model, including a two-part foot, was used. Torsional, linear springs and dampers were used at the hip joints to keep the trunk vertical and at the knee and ankle joints to prevent nonphysiological motion. Dampers at other joints were required to ensure a smooth and realistic motion. The simulated human successfully completed one step (550 ms), including both single and double support phases. The model proved to be sensitive to changes in the spring stiffness values of the trunk controllers. Similar sensitivity was found with the springs used to prevent hyperextension of the knee at heel contact and of the metatarsal-phalangeal joint at push-off. In general, there was much less sensitivity to the damping coefficients. This simulation improves on previous efforts because it incorporates some features necessary in simulations designed to answer clinical science questions. Other control algorithms are required, however, to ensure that the model can be realistically adapted to different subjects.
Two-Phase Flow in Geothermal Wells: Development and Uses of a Good Computer Code
Energy Technology Data Exchange (ETDEWEB)
Ortiz-Ramirez, Jaime
1983-06-01
A computer code is developed for vertical two-phase flow in geothermal wellbores. The two-phase correlations used were developed by Orkiszewski (1967) and others and are widely applicable in the oil and gas industry. The computer code is compared to the flowing survey measurements from wells in the East Mesa, Cerro Prieto, and Roosevelt Hot Springs geothermal fields with success. Well data from the Svartsengi field in Iceland are also used. Several applications of the computer code are considered. They range from reservoir analysis to wellbore deposition studies. It is considered that accurate and workable wellbore simulators have an important role to play in geothermal reservoir engineering.
Dual-scale phase-field simulation of Mg-Al alloy solidification
Monas, A.; Shchyglo, O.; Höche, D.; Tegeler, M.; Steinbach, I.
2015-06-01
Phase-field simulations of the nucleation and growth of primary α-Mg phase as well as secondary, β-phase of a Mg-Al alloy are presented. The nucleation model for α- and β-Mg phases is based on the “free growth model” by Greer et al.. After the α-Mg phase solidification we study a divorced eutectic growth of α- and β-Mg phases in a zoomed in melt channel between α-phase dendrites. The simulated cooling curves and final microstructures of α-grains are compared with experiments. In order to further enhance the resolution of the interdendritic region a high-performance computing approach has been used allowing significant simulation speed gain when using supercomputing facilities.
Numerical simulation of bubbly two-phase flow using the lattice Boltzmann method
Energy Technology Data Exchange (ETDEWEB)
Watanabe, Tadashi; Ebihara, Kenichi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
2000-09-01
The two-component two-phase lattice Boltzmann method, in which two distribution functions are used to represent two phases, is used to simulate bubbly flows as one of the fundamental two-phase flow phenomena in nuclear application fields. The inlet flow condition is proposed to simulate steady-state flow fields. The time variation and the spatial distribution of the volume fraction and the interfacial area are measured numerically. The simulation program is parallelized in one direction by the domain decomposition method using the MPI (Message Passing Interface) libraries, and parallel computations are performed on a workstation cluster. (author)
Professors' and students' perceptions and experiences of computational simulations as learning tools
Magana de Leon, Alejandra De Jesus
Computational simulations are becoming a critical component of scientific and engineering research, and now are becoming an important component for learning. This dissertation provides findings from a multifaceted research study exploring the ways computational simulations have been perceived and experienced as learning tools by instructors and students. Three studies were designed with an increasing focus on the aspects of learning and instructing with computational simulation tools. Study One used a student survey with undergraduate and graduate students whose instructors enhanced their teaching using online computational tools. Results of this survey were used to identify students' perceptions and experiences with these simulations as learning tools. The results provided both an evaluation of the instructional design and an indicator of which instructors were selected in Study Two. Study Two used a phenomenographic research design resulting in a two dimensional outcome space with six qualitatively different ways instructors perceived their learning outcomes associated with using simulation tools as part of students' learning experiences. Results from this work provide a framework for identifying major learning objectives to promote learning with computational simulation tools. Study Three used a grounded theory methodology to expand on instructors' learning objectives to include their perceptions of formative assessment and pedagogy. These perceptions were compared and contrasted with students' perceptions associated with learning with computational tools. The study is organized around three phases and analyzed as a collection of case studies focused on the instructors and their students' perceptions and experiences of computational simulations as learning tools. This third study resulted in a model for using computational simulations as learning tools. This model indicates the potential of integrating the computational simulation tools into formal learning
Three-dimensional numerical simulations of three-phase flows
Pavlidis, Dimitrios; Xie, Zhizhua; Salinas, Pablo; Pain, Chris; Matar, Omar
2015-11-01
The objective of this study is to investigate the fluid dynamics of three-dimensional three-phase flow problems, such as droplet impact on a gas-liquid interface and bubble rising through a liquid-liquid interface. An adaptive unstructured mesh modelling framework is employed here to study three-phase flow problems, which can modify and adapt unstructured meshes to better represent the underlying physics of multiphase problems and reduce computational effort without sacrificing accuracy. The numerical framework consists of a mixed control volume and finite element formulation, a `volume of fluid' type method for the interface capturing based on a compressive control volume advection method and second-order finite element methods, and a force-balanced algorithm for the surface tension implementation, minimising the spurious velocities often found in such flow simulations. The surface tension coefficient decomposition method has been employed to deal with surface tension pairing between different phases via a compositional approach. Numerical examples of some benchmark tests and the dynamics of three-phase flows are presented to demonstrate the ability of this method. EPSRC Programme Grant, MEMPHIS, EP/K0039761/1.
Computer Based Porosity Design by Multi Phase Topology Optimization
Burblies, Andreas; Busse, Matthias
2008-02-01
A numerical simulation technique called Multi Phase Topology Optimization (MPTO) based on finite element method has been developed and refined by Fraunhofer IFAM during the last five years. MPTO is able to determine the optimum distribution of two or more different materials in components under thermal and mechanical loads. The objective of optimization is to minimize the component's elastic energy. Conventional topology optimization methods which simulate adaptive bone mineralization have got the disadvantage that there is a continuous change of mass by growth processes. MPTO keeps all initial material concentrations and uses methods adapted from molecular dynamics to find energy minimum. Applying MPTO to mechanically loaded components with a high number of different material densities, the optimization results show graded and sometimes anisotropic porosity distributions which are very similar to natural bone structures. Now it is possible to design the macro- and microstructure of a mechanical component in one step. Computer based porosity design structures can be manufactured by new Rapid Prototyping technologies. Fraunhofer IFAM has applied successfully 3D-Printing and Selective Laser Sintering methods in order to produce very stiff light weight components with graded porosities calculated by MPTO.
Spin-free quantum computational simulations and symmetry adapted states
Whitfield, James Daniel
2013-01-01
The ideas of digital simulation of quantum systems using a quantum computer parallel the original ideas of numerical simulation using a classical computer. In order for quantum computational simulations to advance to a competitive point, many techniques from classical simulations must be imported into the quantum domain. In this article, we consider the applications of symmetry in the context of quantum simulation. Building upon well established machinery, we propose a form of first quantized simulation that only requires the spatial part of the wave function, thereby allowing spin-free quantum computational simulations. We go further and discuss the preparation of N-body states with specified symmetries based on projection techniques. We consider two simple examples, molecular hydrogen and cyclopropenyl cation, to illustrate the ideas. While the methods here represent adaptations of known quantum algorithms, they are the first to explicitly deal with preparing N-body symmetry-adapted states.
COMPUTER SIMULATION OF THE STRUCTURE OF bcc/hcp AND bcc/9R MARTENSITE INTERFACES
Barcelo, G.; Crocker, A.
1982-01-01
The structures of two interfaces of martensitic transformations in Cu Zn based alloys have been investigated using computer simulation techniques. A new interatomic potential has been developed which is assumed to represent all interactions between atoms in the parent bcc phase and the product hcp and 9R phases. Stable relaxed structures of bcc/hcp and bcc/9R interfaces have been found. In both cases the interface migrates into the bcc phase during the relaxation process. The boundary in the ...
Fu, Jian
2010-01-01
We demonstrate that a tensor product structure could be obtained by introducing pseudorandom phase sequences into classical fields with two orthogonal modes. Using classical fields modulated with pseudorandom phase sequences, we discuss efficient simulation of several typical quantum states, including product state, Bell states, GHZ state, and W state. By performing quadrature demodulation scheme, we could obtain the mode status matrix of the simulating classical fields, based on which we propose a sequence permutation mechanism to reconstruct the simulated quantum states. The research on classical simulation of quantum states is important, for it not only enables potential practical applications in quantum computation, but also provides useful insights into fundamental concepts of quantum mechanics.
Computer and graphics modeling of heat transfer and phase change in a wall with randomly imbibed PCM
Energy Technology Data Exchange (ETDEWEB)
Solomon, A.D.
1989-03-01
We describe the theoretical basis and computer implementation of a simulation code for heat transfer and phase change in a rectangular 2-dimensional region in which PCM has been randomly placed with a preassigned volume fraction.
Computer Simulation Studies in Condensed-Matter Physics XVII
Landau, D. P.; Lewis, S. P.; Schüttler, H.-B.
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.
Teaching Computer Organization and Architecture Using Simulation and FPGA Applications
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...
COMMON PHASES OF COMPUTER FORENSICS INVESTIGATION MODELS
Directory of Open Access Journals (Sweden)
Yunus Yusoff
2011-06-01
Full Text Available The increasing criminal activities using digital information as the means or targets warrant for a structured manner in dealing with them. Since 1984 when a formalized process been introduced, a great number of new and improved computer forensic investigation processes have been developed. In this paper, we reviewed a few selected investigation processes that have been produced throughout the yearsand then identified the commonly shared processes. Hopefully, with the identification of the commonly shard process, it would make it easier for the new users to understand the processes and also to serve as the basic underlying concept for the development of a new set of processes. Based on the commonly shared processes, we proposed a generic computer forensics investigation model, known as GCFIM.
Computational simulations of vorticity enhanced diffusion
Vold, Erik L.
1999-11-01
Computer simulations are used to investigate a phenomenon of vorticity enhanced diffusion (VED), a net transport and mixing of a passive scalar across a prescribed vortex flow field driven by a background gradient in the scalar quantity. The central issue under study here is the increase in scalar flux down the gradient and across the vortex field. The numerical scheme uses cylindrical coordinates centered with the vortex flow which allows an exact advective solution and 1D or 2D diffusion using simple numerical methods. In the results, the ratio of transport across a localized vortex region in the presence of the vortex flow over that expected for diffusion alone is evaluated as a measure of VED. This ratio is seen to increase dramatically while the absolute flux across the vortex decreases slowly as the diffusion coefficient is decreased. Similar results are found and compared for varying diffusion coefficient, D, or vortex rotation time, τv, for a constant background gradient in the transported scalar vs an interface in the transported quantity, and for vortex flow fields constant in time vs flow which evolves in time from an initial state and with a Schmidt number of order unity. A simple analysis shows that for a small diffusion coefficient, the flux ratio measure of VED scales as the vortex radius over the thickness for mass diffusion in a viscous shear layer within the vortex characterized by (Dτv)1/2. The phenomenon is linear as investigated here and suggests that a significant enhancement of mixing in fluids may be a relatively simple linear process. Discussion touches on how this vorticity enhanced diffusion may be related to mixing in nonlinear turbulent flows.
Phase-field simulation of liquid phase migration in the WC-Co system during liquid phase sintering
Energy Technology Data Exchange (ETDEWEB)
Cheng, Kaiming; Zhang, Lijun; Du, Yong [Central South Univ., Changsha (China). State Key Lab. of Powder Metallurgy; Schwarze, Christian; Steinbach, Ingo [Bochum Univ. (Germany). Interdisciplinary Centre for Advanced Materials Simulation
2016-04-15
Liquid phase sintering is a process for forming high performance, multiple-phase components from powders. The process includes very complex interactions between various mass transportation phenomena, among which the liquid phase migration represents an important one in the aspect of forming a gradient structure in cemented carbide. In the present work, phase-field simulation of the liquid phase migration phenomenon during liquid phase sintering is performed in the WC-Co based cemented carbide. The simulation results are analyzed and compared with the experimentally determined key factors of microstructural evolution, such as contiguity and liquid phase migration rate. The diffusion-controlled solution-precipitation mechanism of the liquid phase migration process in the cemented carbide system is confirmed from the current simulation result, which provides deeper understanding of the microstructural evolution during the liquid phase migration process. These simulations can offer guidance in preventing the liquid phase migration process during liquid phase sintering of cellular cemented carbide.
Sakane, Shinji; Takaki, Tomohiro; Rojas, Roberto; Ohno, Munekazu; Shibuta, Yasushi; Shimokawabe, Takashi; Aoki, Takayuki
2017-09-01
Melt flow drastically changes dendrite morphology during the solidification of pure metals and alloys. Numerical simulation of dendrite growth in the presence of the melt flow is crucial for the accurate prediction and control of the solidification microstructure. However, accurate simulations are difficult because of the large computational costs required. In this study, we develop a parallel computational scheme using multiple graphics processing units (GPUs) for a very large-scale three-dimensional phase-field-lattice Boltzmann simulation. In the model, a quantitative phase field model, which can accurately simulate the dendrite growth of a dilute binary alloy, and a lattice Boltzmann model to simulate the melt flow are coupled to simulate the dendrite growth in the melt flow. By performing very large-scale simulations using the developed scheme, we demonstrate the applicability of multi-GPUs parallel computation to the systematical large-scale-simulations of dendrite growth with the melt flow.
A time lag study of the vertical motion simulator computer system
Cleveland, W. B.
1981-01-01
A study was performed to evaluate an experimental method to determine time lags in real-time computer systems as the one associated with the Vertical Motion Simulator at Ames Research Center. The approach was to use an ordinary frequency analyzer to measure the phase difference between inputs and outputs of the computer system. The various elements of the program and computational architecture were modeled. Various factors, such as computer frame time and input frequency, were varied so that they were representative of the operational use of the simulator facilities. Experimentally determined results were compared with predictions derived from the simulation models. The results indicate that the frequency analyzer can be readily used to evaluate time lags in systems of this type. Differences between predicted and measured phase values indicate that the hardware and software imparts a time lag of about 5 msec to this facility.
Energy Technology Data Exchange (ETDEWEB)
Grandotto Biettoli, M
2006-04-15
The report presents globally the works done by the author in the thermohydraulic applied to nuclear reactors flows. It presents the studies done to the numerical simulation of the two phase flows in the steam generators and a finite element method to compute these flows. (author)
Evaluation of Computer Simulations for Teaching Apparel Merchandising Concepts.
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…
Overview of Computer Simulation Modeling Approaches and Methods
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...
A simulation model of a star computer network
Gomaa, H
1979-01-01
A simulation model of the CERN (European Organization for Nuclear Research) SPS star computer network is described. The model concentrates on simulating the message handling computer, through which all messages in the network pass. The implementation of the model and its calibration are also described. (6 refs).
Flow Through a Laboratory Sediment Sample by Computer Simulation Modeling
2006-09-07
Flow through a laboratory sediment sample by computer simulation modeling R.B. Pandeya’b*, Allen H. Reeda, Edward Braithwaitea, Ray Seyfarth0, J.F...through a laboratory sediment sample by computer simulation modeling 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S
Evaluation of Computer Simulations for Teaching Apparel Merchandising Concepts.
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…
NCC Simulation Model: Simulating the operations of the network control center, phase 2
Benjamin, Norman M.; Paul, Arthur S.; Gill, Tepper L.
1992-01-01
The simulation of the network control center (NCC) is in the second phase of development. This phase seeks to further develop the work performed in phase one. Phase one concentrated on the computer systems and interconnecting network. The focus of phase two will be the implementation of the network message dialogues and the resources controlled by the NCC. These resources are requested, initiated, monitored and analyzed via network messages. In the NCC network messages are presented in the form of packets that are routed across the network. These packets are generated, encoded, decoded and processed by the network host processors that generate and service the message traffic on the network that connects these hosts. As a result, the message traffic is used to characterize the work done by the NCC and the connected network. Phase one of the model development represented the NCC as a network of bi-directional single server queues and message generating sources. The generators represented the external segment processors. The served based queues represented the host processors. The NCC model consists of the internal and external processors which generate message traffic on the network that links these hosts. To fully realize the objective of phase two it is necessary to identify and model the processes in each internal processor. These processes live in the operating system of the internal host computers and handle tasks such as high speed message exchanging, ISN and NFE interface, event monitoring, network monitoring, and message logging. Inter process communication is achieved through the operating system facilities. The overall performance of the host is determined by its ability to service messages generated by both internal and external processors.
Chang, Yan-Shuo; Lin, Chia-Hsin; Hsu, Ku-Hui; Hsu, Wei-Feng; Hsiao, Li-Jen; Lin, Hoang Yan
2014-09-20
The speckle phenomenon is an annoyance in laser projection display systems. We propose a novel speckle suppression method that utilizes the interference concept on a pixel point, which reduces the speckle contrast (SC) of the project image by limiting the phase distribution range in the optical field. The SC formula is derived in the uniform interval phase range for partially developed speckle conditions, showing that the SC can be lowered by lessening the phase range limitation. In the ideal simulation model, the SC can be reduced from 98.77% to 0% as the phase range limitation varies from 2π to 0. The phase range limitation model is a novel method using a computer generated hologram to provide beam shaping and phase limitation. In a more realistic simulation model, the SC is reduced from 99.18% to 16.68%.
Institute of Scientific and Technical Information of China (English)
CHEN; Yan-xin; HE; Hui; ZHANG; Chun-long; CHANG; Li; LI; Rui-xue; TANG; Hong-bin; YU; Ting
2012-01-01
<正>A computer program was developed to simulate technetium scrubbing section (TcS) in Purex based on the theory of cascade extraction. The program can simulate the steady-state behavior of HNO3, U, Pu and Tc in TcS. The reliability of the program was verified by cascade extraction experiment, the relative error between calculation value and experiment value is 10% more or less except few spots. The comparison between experiment and calculation results is illustrated in Fig. 1. The technical parameters of TcS were analyzed by this program, it is found that the Decontamination factor (DFTc/U) in TcS is remarkably affected by the overall consumption (multiply molarity by volume flux) of HNO3, DFTc/U is
Computer-Generated Phase Diagrams for Binary Mixtures.
Jolls, Kenneth R.; And Others
1983-01-01
Computer programs that generate projections of thermodynamic phase surfaces through computer graphics were used to produce diagrams representing properties of water and steam and the pressure-volume-temperature behavior of most of the common equations of state. The program, program options emphasizing thermodynamic features of interest, and…
Performance Analysis of Cloud Computing Architectures Using Discrete Event Simulation
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.
Two-Phase Flow Field Simulation of Horizontal Steam Generators
Directory of Open Access Journals (Sweden)
Ataollah Rabiee
2017-02-01
Full Text Available The analysis of steam generators as an interface between primary and secondary circuits in light water nuclear power plants is crucial in terms of safety and design issues. VVER-1000 nuclear power plants use horizontal steam generators which demand a detailed thermal hydraulics investigation in order to predict their behavior during normal and transient operational conditions. Two phase flow field simulation on adjacent tube bundles is important in obtaining logical numerical results. However, the complexity of the tube bundles, due to geometry and arrangement, makes it complicated. Employment of porous media is suggested to simplify numerical modeling. This study presents the use of porous media to simulate the tube bundles within a general-purpose computational fluid dynamics code. Solved governing equations are generalized phase continuity, momentum, and energy equations. Boundary conditions, as one of the main challenges in this numerical analysis, are optimized. The model has been verified and tuned by simple two-dimensional geometry. It is shown that the obtained vapor volume fraction near the cold and hot collectors predict the experimental results more accurately than in previous studies.
Computational methods for two-phase flow and particle transport
Lee, Wen Ho
2013-01-01
This book describes mathematical formulations and computational methods for solving two-phase flow problems with a computer code that calculates thermal hydraulic problems related to light water and fast breeder reactors. The physical model also handles the particle and gas flow problems that arise from coal gasification and fluidized beds. The second part of this book deals with the computational methods for particle transport.
Alternative energy technologies an introduction with computer simulations
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
GPU-accelerated micromagnetic simulations using cloud computing
Jermain, C. L.; Rowlands, G. E.; Buhrman, R. A.; Ralph, D. C.
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.
GPU-accelerated micromagnetic simulations using cloud computing
Jermain, C L; Buhrman, R A; Ralph, D C
2015-01-01
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.
CPU SIM: A Computer Simulator for Use in an Introductory Computer Organization-Architecture Class.
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)
Computation material science of structural-phase transformation in casting aluminium alloys
Golod, V. M.; Dobosh, L. Yu
2017-04-01
Successive stages of computer simulation the formation of the casting microstructure under non-equilibrium conditions of crystallization of multicomponent aluminum alloys are presented. On the basis of computer thermodynamics and heat transfer during solidification of macroscale shaped castings are specified the boundary conditions of local heat exchange at mesoscale modeling of non-equilibrium formation the solid phase and of the component redistribution between phases during coalescence of secondary dendrite branches. Computer analysis of structural - phase transitions based on the principle of additive physico-chemical effect of the alloy components in the process of diffusional - capillary morphological evolution of the dendrite structure and the o of local dendrite heterogeneity which stochastic nature and extent are revealed under metallographic study and modeling by the Monte Carlo method. The integrated computational materials science tools at researches of alloys are focused and implemented on analysis the multiple-factor system of casting processes and prediction of casting microstructure.
An Exploratory Investigation of Computer Simulations, Student Preferences, and Performance.
Vaidyanathan, Rajiv; Rochford, Linda
1998-01-01
Marketing students (n=99) used computer simulation, 34 did not. Students who performed well on traditional exams also did well on the simulation. Students who preferred working with others seemed to perform more poorly on both the exam and the simulation. (SK)
Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry
Rikvold, P A; Juwono, T; Robb, D T; Novotny, M A; 10.1007/978-0-387-49586-6_4
2009-01-01
We present a brief survey of methods that utilize computer simulations and quantum and statistical mechanics in the analysis of electrochemical systems. The methods, Molecular Dynamics and Monte Carlo simulations and quantum-mechanical density-functional theory, are illustrated with examples from simulations of lithium-battery charging and electrochemical adsorption of bromine on single-crystal silver electrodes.
On grain growth kinetics in two-phase polycrystalline materials through Monte Carlo simulation
Indian Academy of Sciences (India)
K R Phaneesh; Anirudh Bhat; Gautam Mukherjee; K T Kashyap
2013-08-01
Monte Carlo Potts model simulation was carried out on a 2D square lattice for various surface fractions of second phase particles for over 50,000 iterations. The observations are in good agreement with known theoretical and experimental results with respect to both growth kinetics as well as grain size distribution. Further, the average grain size and the largest grain size were computed for various surface fractions which have indicated normal grain growth and microstructure homogeneity. The surface fraction of the second phase particles interacting with the grain boundaries (), hitherto not computed through the simulation route, is shown to vary inversely as the average grain size due to Zener pinning.
Creating Science Simulations through Computational Thinking Patterns
Basawapatna, Ashok Ram
2012-01-01
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.…
Fluid dynamics theory, computation, and numerical simulation
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 ...
Simulation model for a seven-phase BLDCM drive system
Park, Sang-Hoon; Lee, Won-Cheol; Lee, Jung-Hyo; Yu, Jae-Sung; Kim, Gyu-Sik; Won, Chung-Yuen
2007-12-01
BLDC motors have many advantages over brushed DC motors and induction motors. So, BLDC motors extend their application to many industrial fields. In this paper, the digital simulation and modeling of a 7-phase brushless DC motor have been presented. The 14-switch inverter and a 7-phase brushless DC motor drive system are simulated using hysteresis current controller and logic of switching pattern with the BooleanÂ¡s function. Through some simulations, we found that our modeling and analysis of a 7-phase BLDCM with PWM inverter would be helpful for the further studies of the multi-phase BLDCM drive systems.
Computational diagnostics for detecting phase transitions during nanoindentation
Energy Technology Data Exchange (ETDEWEB)
Lee, S.M.; Hoover, C.G.; Kallman, J.S.; De Groot, A.J. (Lawrence Livermore National Lab., CA (United States)); Hoover, W.G. (Lawrence Livermore National Lab., CA (United States) California Univ., Livermore, CA (United States). Div. of Applied Science); Wooten, F. (California Univ., Livermore, CA (United States). Div. of Applied Science)
1992-12-01
We study nanoindenmtion of silicon using nonequilibrium molecular dynamics simulations. with up to a million particles. Both crystalline and amorphous silicon samples are considered. We use compumtional diffraction pattems as a diagnostic tool for detecting phase transitions resulting from structural changes. Simulations of crystalline samples show a transition to the amorphous phase in a region a few atomic layers thick surrounding the lateral faces of the indenter, as has been suggested by experimental results. Our simulation results provide estimates for the yield strength (nanohardness) of silicon for a range of temperatures.
DEFF Research Database (Denmark)
Rasmussen, Claus P.; Krejbjerg, Kristian; Michelsen, Michael Locht
2006-01-01
Approaches are presented for reducing the computation time spent on flash calculations in compositional, transient simulations. In a conventional flash calculation, the majority of the simulation time is spent on stability analysis, even for systems far into the single-phase region. A criterion has...... been implemented for deciding when it is justified to bypass the stability analysis. With the implementation of the developed time-saving initiatives, it has been shown for a number of compositional, transient pipeline simulations that a reduction of the computation time spent on flash calculations...
Genetic crossing vs cloning by computer simulation
Energy Technology Data Exchange (ETDEWEB)
Dasgupta, S. [Cologne Univ., Koeln (Germany)
1997-06-01
We perform Monte Carlo simulation using Penna`s bit string model, and compare the process of asexual reproduction by cloning with that by genetic crossover. We find them to be comparable as regards survival of a species, and also if a natural disaster is simulated.
Genetic Crossing vs Cloning by Computer Simulation
Dasgupta, Subinay
We perform Monte Carlo simulation using Penna's bit string model, and compare the process of asexual reproduction by cloning with that by genetic crossover. We find them to be comparable as regards survival of a species, and also if a natural disaster is simulated.
Humans, computers and wizards human (simulated) computer interaction
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.
Full scale computer simulators in anesthesia training and evaluation.
Wong, Anne K
2004-05-01
With the advent of competency-based curriculum, technology such as full scale computer simulators have acquired an increasingly important role in anesthesia both in training and evaluation. This article reviews the current role of full scale computer simulators in teaching and evaluation in anesthesia. This review draws from existing anesthesia and medical education literature in order to examine and assess the current role of full scale computer simulators in anesthesia education today. The last decade has witnessed a major increase in the use of full scale computer simulators in anesthesia. Many applications have been found for these simulators including teaching and training, evaluation and research. Despite the increasing use and application of full scale computers in anesthesia in the area of teaching and training, definitive studies evaluating its cost effectiveness, its efficacy compared to traditional training methods or its impact on patient outcome are still pending. Although there is some preliminary evidence of reliability and validity in using the simulator to evaluate clinical competence, development in this area has not progressed enough to justify its use in formal, summative evaluation of competence in anesthesia at this time. As technology acquires an increasingly important role in medical education, full scale computer simulators represent an exciting potential in anesthesia. However, the full potential and role of simulators in anesthesia is still in development and will require a dovetailing of clinical theory and practice with current research in medical education.
Gradient Augmented Level Set Method for Two Phase Flow Simulations with Phase Change
Anumolu, C. R. Lakshman; Trujillo, Mario F.
2016-11-01
A sharp interface capturing approach is presented for two-phase flow simulations with phase change. The Gradient Augmented Levelset method is coupled with the two-phase momentum and energy equations to advect the liquid-gas interface and predict heat transfer with phase change. The Ghost Fluid Method (GFM) is adopted for velocity to discretize the advection and diffusion terms in the interfacial region. Furthermore, the GFM is employed to treat the discontinuity in the stress tensor, velocity, and temperature gradient yielding an accurate treatment in handling jump conditions. Thermal convection and diffusion terms are approximated by explicitly identifying the interface location, resulting in a sharp treatment for the energy solution. This sharp treatment is extended to estimate the interfacial mass transfer rate. At the computational cell, a d-cubic Hermite interpolating polynomial is employed to describe the interface location, which is locally fourth-order accurate. This extent of subgrid level description provides an accurate methodology for treating various interfacial processes with a high degree of sharpness. The ability to predict the interface and temperature evolutions accurately is illustrated by comparing numerical results with existing 1D to 3D analytical solutions.
Srinath, Srikar; Poyneer, Lisa A.; Rudy, Alexander R.; Ammons, S. M.
2014-08-01
The advent of expensive, large-aperture telescopes and complex adaptive optics (AO) systems has strengthened the need for detailed simulation of such systems from the top of the atmosphere to control algorithms. The credibility of any simulation is underpinned by the quality of the atmosphere model used for introducing phase variations into the incident photons. Hitherto, simulations which incorporate wind layers have relied upon phase screen generation methods that tax the computation and memory capacities of the platforms on which they run. This places limits on parameters of a simulation, such as exposure time or resolution, thus compromising its utility. As aperture sizes and fields of view increase the problem will only get worse. We present an autoregressive method for evolving atmospheric phase that is efficient in its use of computation resources and allows for variability in the power contained in frozen flow or stochastic components of the atmosphere. Users have the flexibility of generating atmosphere datacubes in advance of runs where memory constraints allow to save on computation time or of computing the phase at each time step for long exposure times. Preliminary tests of model atmospheres generated using this method show power spectral density and rms phase in accordance with established metrics for Kolmogorov models.
Understanding Emergency Care Delivery through Computer Simulation Modeling.
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
2017-08-10
In 2017, Academic Emergency Medicine convened a consensus conference entitled, "Catalyzing System Change through Health Care Simulation: Systems, Competency, and Outcomes." This manuscript, 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 manuscript 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 manuscript, our goal is to enhance adoption of computer simulation, a set of methods which hold great promise in addressing emergency care organization and design challenges. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.
Computer Simulation of Angle-measuring System of Photoelectric Theodolite
Energy Technology Data Exchange (ETDEWEB)
Zeng, L [School of Electric Engineering and Automation, HIT, Harbin, 150080 (China); Zhao, Z W [Institute of Command and Technology of Equipment, Beijing, 101416 (China); Song, S L [Institute of Command and Technology of Equipment, Beijing, 101416 (China); Wang, L T [Unit 92941, PLA Huludao, Liaoning, 125000 (China)
2006-10-15
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.
Large-scale computing techniques for complex system simulations
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
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.
Fu, Jian; Xu, Yingying; Dong, Hongtao
2010-01-01
We demonstrate that n classical fields modulated with n different pseudorandom phase sequences can constitute a 2^n-dimensional Hilbert space that contains tensor product structure. By using classical fields modulated with pseudorandom phase sequences, we discuss effective simulation of Bell states and GHZ state, and apply both correlation analysis and von Neumann entropy to characterize the simulation. We obtain similar results with the cases in quantum mechanics and find that the conclusions can be easily generalized to n quantum particles. The research on simulation of quantum entanglement may be important, for it not only provides useful insights into fundamental features of quantum entanglement, but also yields new insights into quantum computation.
Simulated cystic renal lesions: quantitative X-ray phase-contrast CT--an in vitro phantom study
National Research Council Canada - National Science Library
Fingerle, Alexander A; Willner, Marian; Herzen, Julia; Münzel, Daniela; Hahn, Dieter; Rummeny, Ernst J; Noël, Peter B; Pfeiffer, Franz
2014-01-01
To determine if grating-based x-ray phase-contrast computed tomography (CT) can allow differentiation of simulated simple, protein-rich, hemorrhagic, and enhancing cystic renal lesions in an in vitro phantom...
ADVANCED COMPUTATIONAL MODEL FOR THREE-PHASE SLURRY REACTORS
Energy Technology Data Exchange (ETDEWEB)
Goodarz Ahmadi
2004-10-01
In this project, an Eulerian-Lagrangian formulation for analyzing three-phase slurry flows in a bubble column was developed. The approach used an Eulerian analysis of liquid flows in the bubble column, and made use of the Lagrangian trajectory analysis for the bubbles and particle motions. The bubble-bubble and particle-particle collisions are included the model. The model predictions are compared with the experimental data and good agreement was found An experimental setup for studying two-dimensional bubble columns was developed. The multiphase flow conditions in the bubble column were measured using optical image processing and Particle Image Velocimetry techniques (PIV). A simple shear flow device for bubble motion in a constant shear flow field was also developed. The flow conditions in simple shear flow device were studied using PIV method. Concentration and velocity of particles of different sizes near a wall in a duct flow was also measured. The technique of Phase-Doppler anemometry was used in these studies. An Eulerian volume of fluid (VOF) computational model for the flow condition in the two-dimensional bubble column was also developed. The liquid and bubble motions were analyzed and the results were compared with observed flow patterns in the experimental setup. Solid-fluid mixture flows in ducts and passages at different angle of orientations were also analyzed. The model predictions were compared with the experimental data and good agreement was found. Gravity chute flows of solid-liquid mixtures were also studied. The simulation results were compared with the experimental data and discussed A thermodynamically consistent model for multiphase slurry flows with and without chemical reaction in a state of turbulent motion was developed. The balance laws were obtained and the constitutive laws established.
Exploring fluctuations and phase equilibria in fluid mixtures via Monte Carlo simulation
Denton, Alan R.; Schmidt, Michael P.
2013-03-01
Monte Carlo simulation provides a powerful tool for understanding and exploring thermodynamic phase equilibria in many-particle interacting systems. Among the most physically intuitive simulation methods is Gibbs ensemble Monte Carlo (GEMC), which allows direct computation of phase coexistence curves of model fluids by assigning each phase to its own simulation cell. When one or both of the phases can be modelled virtually via an analytic free energy function (Mehta and Kofke 1993 Mol. Phys. 79 39), the GEMC method takes on new pedagogical significance as an efficient means of analysing fluctuations and illuminating the statistical foundation of phase behaviour in finite systems. Here we extend this virtual GEMC method to binary fluid mixtures and demonstrate its implementation and instructional value with two applications: (1) a lattice model of simple mixtures and polymer blends and (2) a free-volume model of a complex mixture of colloids and polymers. We present algorithms for performing Monte Carlo trial moves in the virtual Gibbs ensemble, validate the method by computing fluid demixing phase diagrams, and analyse the dependence of fluctuations on system size. Our open-source simulation programs, coded in the platform-independent Java language, are suitable for use in classroom, tutorial, or computational laboratory settings.
Computer simulation of an advanced combustor for clean coal technology
Energy Technology Data Exchange (ETDEWEB)
Chang, S.L.; Lottes, S.A.
1992-01-01
Magnetohydrodynamic (MHD) power generation is a clean coal technology because of its higher thermal efficiency and lower pollutant emission. Argonne National Laboratory used a comprehensive integral combustion computer code to aid the development of a TRW's second stage combustor for MHD power generation. The integral combustion code is a computer code for two-phase, two-dimensional, steady state, turbulent, and reacting flows, based on mass, momentum, and energy conservation laws for multiple gas species and solid particles of variable sizes. In the MHD second stage combustor, opposed jets of oxidizer are injected into a confined cross-stream coal gas flow laden with seed particles. The performance of the downstream MHD power generation channel depends mainly on the degree and the uniformity of gas ionization, which, in turn, depends on the uniformity of temperature and seed vapor distributions leaving the combustor. The simulation provides in-depth information of flow, combustion, and heat transfer patterns in the combustor, which is used to predict ranges of combustor operating conditions for optimum performance of the MHD system.
Computer simulation of an advanced combustor for clean coal technology
Energy Technology Data Exchange (ETDEWEB)
Chang, S.L.; Lottes, S.A.
1992-09-01
Magnetohydrodynamic (MHD) power generation is a clean coal technology because of its higher thermal efficiency and lower pollutant emission. Argonne National Laboratory used a comprehensive integral combustion computer code to aid the development of a TRW`s second stage combustor for MHD power generation. The integral combustion code is a computer code for two-phase, two-dimensional, steady state, turbulent, and reacting flows, based on mass, momentum, and energy conservation laws for multiple gas species and solid particles of variable sizes. In the MHD second stage combustor, opposed jets of oxidizer are injected into a confined cross-stream coal gas flow laden with seed particles. The performance of the downstream MHD power generation channel depends mainly on the degree and the uniformity of gas ionization, which, in turn, depends on the uniformity of temperature and seed vapor distributions leaving the combustor. The simulation provides in-depth information of flow, combustion, and heat transfer patterns in the combustor, which is used to predict ranges of combustor operating conditions for optimum performance of the MHD system.
Computer simulation study of water using a fluctuating charge model
Indian Academy of Sciences (India)
M Krishnan; A Verma; S Balasubramanian
2001-10-01
Hydrogen bonding in small water clusters is studied through computer simulation methods using a sophisticated, empirical model of interaction developed by Rick et al (S W Rick, S J Stuart and B J Berne 1994 J. Chem. Phys. 101 6141) and others. The model allows for the charges on the interacting sites to fluctuate as a function of time, depending on their local environment. The charge flow is driven by the difference in the electronegativity of the atoms within the water molecule, thus effectively mimicking the effects of polarization of the charge density. The potential model is thus transferable across all phases of water. Using this model, we have obtained the minimum energy structures of water clusters up to a size of ten. The cluster structures agree well with experimental data. In addition, we are able to distinctly identify the hydrogens that form hydrogen bonds based on their charges alone, a feature that is not possible in simulations using fixed charge models. We have also studied the structure of liquid water at ambient conditions using this fluctuating charge model.
Polymer solution phase separation: Microgravity simulation
Cerny, Lawrence C.; Sutter, James K.
1989-01-01
In many multicomponent systems, a transition from a single phase of uniform composition to a multiphase state with separated regions of different composition can be induced by changes in temperature and shear. The density difference between the phase and thermal and/or shear gradients within the system results in buoyancy driven convection. These differences affect kinetics of the phase separation if the system has a sufficiently low viscosity. This investigation presents more preliminary developments of a theoretical model in order to describe effects of the buoyancy driven convection in phase separation kinetics. Polymer solutions were employed as model systems because of the ease with which density differences can be systematically varied and because of the importance of phase separation in the processing and properties of polymeric materials. The results indicate that the kinetics of the phase separation can be performed viscometrically using laser light scattering as a principle means of following the process quantitatively. Isopycnic polymer solutions were used to determine the viscosity and density difference limits for polymer phase separation.
Computer simulation of rod-sphere mixtures
Antypov, D
2003-01-01
Results are presented from a series of simulations undertaken to investigate the effect of adding small spherical particles to a fluid of rods which would otherwise represent a liquid crystalline (LC) substance. Firstly, a bulk mixture of Hard Gaussian Overlap particles with an aspect ratio of 3:1 and hard spheres with diameters equal to the breadth of the rods is simulated at various sphere concentrations. Both mixing-demixing and isotropic-nematic transition are studied using Monte Carlo techniques. Secondly, the effect of adding Lennard-Jones particles to an LC system modelled using the well established Gay-Berne potential is investigated. These rod-sphere mixtures are simulated using both the original set of interaction parameters and a modified version of the rod-sphere potential proposed in this work. The subject of interest is the internal structure of the binary mixture and its dependence on density, temperature, concentration and various parameters characterising the intermolecular interactions. Both...
Computer simulation of confined liquid crystal dynamics
Webster, R E
2001-01-01
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. 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...
COMPUTER SIMULATION SYSTEM OF STRETCH REDUCING MILL
Institute of Scientific and Technical Information of China (English)
B.Y. Sun; S.J. Yuan
2007-01-01
The principle of the stretch reducing process is analyzed and three models of pass design areestablished. The simulations are done about variables, such as, stress, strain, the stretches betweenthe stands, the size parameters of the steel tube, and the roll force parameters. According to itsproduct catalogs the system can automatically divide the pass series, formulate the rolling table,and simulate the basic technological parameters in the stretch reducing process. All modules areintegrated based on the developing environment of VB6. The system can draw simulation curvesand pass pictures. Three kinds of database including the material database, pass design database,and product database are devised using Microsoft Access, which can be directly edited, corrected,and searched.
Computer simulation and measurements of a building with top-cooling
Lain, M.; Bartak, M.; Drkal, F.; Hensen, J.
2005-01-01
This paper deals with the use of computer simulations both for design support of a new building including its heating, ventilation and air-conditioning (HVAC) systems and for optimization of the HVAC control strategy during operation of the completed building. In the early design phases for a new co
Computer simulation and measurements of a building with top-cooling
Lain, M.; Bartak, M.; Drkal, F.; Hensen, J.
2005-01-01
This paper deals with the use of computer simulations both for design support of a new building including its heating, ventilation and air-conditioning (HVAC) systems and for optimization of the HVAC control strategy during operation of the completed building. In the early design phases for a new
MINEXP, A Computer-Simulated Mineral Exploration Program
Smith, Michael J.; And Others
1978-01-01
This computer simulation is designed to put students into a realistic decision making situation in mineral exploration. This program can be used with different exploration situations such as ore deposits, petroleum, ground water, etc. (MR)
Modelling of dusty plasma properties by computer simulation methods
Energy Technology Data Exchange (ETDEWEB)
Baimbetov, F B [IETP, Al Farabi Kazakh National University, 96a, Tole bi St, Almaty 050012 (Kazakhstan); Ramazanov, T S [IETP, Al Farabi Kazakh National University, 96a, Tole bi St, Almaty 050012 (Kazakhstan); Dzhumagulova, K N [IETP, Al Farabi Kazakh National University, 96a, Tole bi St, Almaty 050012 (Kazakhstan); Kadyrsizov, E R [Institute for High Energy Densities of RAS, Izhorskaya 13/19, Moscow 125412 (Russian Federation); Petrov, O F [IETP, Al Farabi Kazakh National University, 96a, Tole bi St, Almaty 050012 (Kazakhstan); Gavrikov, A V [IETP, Al Farabi Kazakh National University, 96a, Tole bi St, Almaty 050012 (Kazakhstan)
2006-04-28
Computer simulation of dusty plasma properties is performed. The radial distribution functions, the diffusion coefficient are calculated on the basis of the Langevin dynamics. A comparison with the experimental data is made.
A simulator for quantum computer hardware
Michielsen, K.F L; de Raedt, H.A.; De Raedt, K.
2002-01-01
We present new examples of the use of the quantum computer (QC) emulator. For educational purposes we describe the implementation of the CNOT and Toffoli gate, two basic building blocks of a QC, on a three qubit NMR-like QC.
How Real Is a Computer Simulation?
Higgins, John J.
Two keywords "input" and "get," in the BASIC programming language provide a metaphor of the processes of response and intervention in a dialogue situation. Computer teaching activities can be programmed using one or both of these commands. There are at least five main types: the quiz or overt teaching program, the text processsing program, the…
Random phase-free computer holography and its applications
Shimobaba, Tomoyoshi; Kakue, Takashi; Ito, Tomoyoshi
2016-06-01
Random phase is required in computer-generated hologram (CGH) to widely diffuse object light and to avoid its concentration on the CGH; however, the random phase causes considerable speckle noise in the reconstructed image and degrades the image quality. We introduce a simple and computationally inexpensive method that improves the image quality and reduces the speckle noise by multiplying the object light with the designed convergence light. We furthermore propose the improved method of the designed convergence light with iterative method to reduce ringing artifacts. Subsequently, as the application, a lensless zoomable holographic projection is introduced.
Comprehensive Memory-Bound Simulations on Single Board Computers
Himpe, Christian; Leibner, Tobias; Rave, Stephan
2017-01-01
Numerical simulations of increasingly complex models, demand growing amounts of (main) memory. Typically, large quantities of memory are provided by workstation- and server-type computers, but in turn consume massive amounts of power. Model order reduction can reduce the memory requirements of simulations by constructing reduced order models, yet the assembly of these surrogate models itself often requires memory-rich compute environments. We resolve this deadlock by careful algorithmic desig...
Artificial Neural Network Metamodels of Stochastic Computer Simulations
1994-08-10
SUBTITLE r 5. FUNDING NUMBERS Artificial Neural Network Metamodels of Stochastic I () Computer Simulations 6. AUTHOR(S) AD- A285 951 Robert Allen...8217!298*1C2 ARTIFICIAL NEURAL NETWORK METAMODELS OF STOCHASTIC COMPUTER SIMULATIONS by Robert Allen Kilmer B.S. in Education Mathematics, Indiana...dedicate this document to the memory of my father, William Ralph Kilmer. mi ABSTRACT Signature ARTIFICIAL NEURAL NETWORK METAMODELS OF STOCHASTIC
GATE Monte Carlo simulation in a cloud computing environment
Rowedder, Blake Austin
The GEANT4-based GATE is a unique and powerful Monte Carlo (MC) platform, which provides a single code library allowing the simulation of specific medical physics applications, e.g. PET, SPECT, CT, radiotherapy, and hadron therapy. However, this rigorous yet flexible platform is used only sparingly in the clinic due to its lengthy calculation time. By accessing the powerful computational resources of a cloud computing environment, GATE's runtime can be significantly reduced to clinically feasible levels without the sizable investment of a local high performance cluster. This study investigated a reliable and efficient execution of GATE MC simulations using a commercial cloud computing services. Amazon's Elastic Compute Cloud was used to launch several nodes equipped with GATE. Job data was initially broken up on the local computer, then uploaded to the worker nodes on the cloud. The results were automatically downloaded and aggregated on the local computer for display and analysis. Five simulations were repeated for every cluster size between 1 and 20 nodes. Ultimately, increasing cluster size resulted in a decrease in calculation time that could be expressed with an inverse power model. Comparing the benchmark results to the published values and error margins indicated that the simulation results were not affected by the cluster size and thus that integrity of a calculation is preserved in a cloud computing environment. The runtime of a 53 minute long simulation was decreased to 3.11 minutes when run on a 20-node cluster. The ability to improve the speed of simulation suggests that fast MC simulations are viable for imaging and radiotherapy applications. With high power computing continuing to lower in price and accessibility, implementing Monte Carlo techniques with cloud computing for clinical applications will continue to become more attractive.
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.
A novel computer simulation for modeling grain growth
Energy Technology Data Exchange (ETDEWEB)
Chen, L.Q. (Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering)
1995-01-01
In this paper, the author proposes a new computer simulation model for investigating grain growth kinetics, born from the recent work on the domain growth kinetics of a quenched system with many non-conserved order parameters. A key new feature of this model for studying grain growth is that the grain boundaries are diffuse, as opposed to previous meanfield and statistical theories and Monte-Carlo simulations which assumed that grain boundaries were sharp. Unlike the Monte-Carlo simulations in which grain boundaries are made up of kinks, grain boundaries in the continuum model are smooth. Below, he describes this model in detail, give prescriptions for computer simulation, and then present computer simulation results on a two-dimensional model system.
Numerical Simulations of Equiaxed Dendrite Growth Using Phase Field Method
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
Phase field method offers the prospect of being able to perform realistic numerical experiments on dendrite growthin a metallic system. In this paper, the equiaxed dendrite evolution during the solidification of a pure material wasnumerically simulated using the phase field model. The equiaxed dendrite growth in a two-dimensional square domainof undercooled melt (nickel) with four-fold anisotropy was simulated. The phase field model equations was solvedusing the explicit finite difference method on a uniform mesh. The formation of various equiaxed dendrite patternswas shown by a series of simulations, and the effect of anisotropy on equiaxed dendrite morphology was investigated.
Studying Scientific Discovery by Computer Simulation.
1983-03-30
scientific laws that were induced from data before any theory was available to discover the regularities. To the previous examples, we could add Gregor ...discoveries (excluding those of Mendel and Mendeleev, which we have not simulated) could have been made. The Role of Theory in Law Induction BACON’s
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.
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.
Quantum chemistry simulation on quantum computers: theories and experiments.
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.
Phase contrast image simulations for electron holography of magnetic and electric fields
DEFF Research Database (Denmark)
Beleggia, Marco; Pozzi, Giulio
2013-01-01
representation of the magnetic vector potential, that enables us to simulate realistic phase images of fluxons. The aim of this paper is to review the main ideas underpinning our computational framework and the results we have obtained throughout the collaboration. Furthermore, we outline how to generalize...
An Effective Data Representation and Computation Scheme in Computer Simulation for Neural Networks
Institute of Scientific and Technical Information of China (English)
CHENHoujin; YUANBaozong
2004-01-01
A Biological neural network (BNN) is composed of a vast number of neurons interconnected by synapses. It has the ability to process information and generate a specific pattern of electrical activity. To analyze its interior structure and exterior properties, computational models were combined with experimental data and one computer simulation system was implemented. As BNN is a complicated nonlinear system and the simulation deals with a great amount of numeric computations,so data representation and computation scheme are critical to simulation process. In this paper, Object-oriented data representation (OODR) was designed to have sharable and reusable properties, and one novel hybrid computation scheme was presented. With OODR, data share and computation share were simultaneously achieved. According to the hybrid computation scheme, individual computation method was applied to corresponding object based on its model characteristics and the computation efficiency was obviously increased. Now they were adopted in one BNN simulation system which was implemented in platform independent language JAVA. As the simulation system took advantage of the data representation and the computation scheme, so its performances were greatly improved, and it has got practical applications in many countries.
Simulation of atmospheric turbulence layers with phase screens by JAVA
Zhang, Xiaofang; Chen, Wenqin; Yu, Xin; Yan, Jixiang
2008-03-01
In multiconjugate Adaptive Optics (MCAO), the phase screens are used to simulate atmospheric turbulence layers to study the optimal turbulence delamination and the determination of layer boundary position. In this paper, the method of power spectrum inversion and sub-harmonic compensation were used to simulate atmospheric turbulence layers and results can be shown by grey map. The simulation results showed that, with the increase of turbulence layers, the RMS of adaptive system decreased, but the amplitude diminished. So the atmospheric turbulence can be split into 2-3 layers and be modeled by phase screens. Otherwise, a small simulation atmospheric turbulence delamination system was realized by JAVA.
Evaluation on correction factor for in-line X-ray phase contrast computed tomography
Energy Technology Data Exchange (ETDEWEB)
Jin, Mingli; Huang, Zhifeng; Zhang, Li; Zhang, Ran [Tsinghua Univ., Beijing (China). Dept. of Engineering Physics; Ministry of Education, Beijing (China). Key Laboratory of Particle and Radiation Imaging; Yin, Hongxia; Liu, Yunfu; Wang, Zhenchang [Capital Medical Univ., Beijing (China). Medical Imaging Center; Xiao, Tiqiao [Chinese Academy of Sciences, Shanghai (China). Shanghai Inst. of Applied Physics
2011-07-01
X-ray in-line phase contrast computed tomography (CT) is an effective nondestructive tool, providing 3D distribution of the refractive index of weakly absorbing low-Z object with high resolution and image contrast, especially with high-brilliance third-generation synchrotron radiation sources. Modified Bronnikov's algorithm (MBA), one of the in-line phase contrast CT reconstruction algorithms, can reconstruct the refractive index distribution of a pure phase object with a single computed tomographic data set. The key idea of the MBA is to use a correction factor in the filter function to stabilize the behavior at low frequencies. In this paper, we evaluate the influences of the correction factor to the final reconstruction results of the absorption-phase-mixed objects with analytical simulation and actual experiments. The limitations of the MBA are discussed finally. (orig.)
GPU phase-field lattice Boltzmann simulations of growth and motion of a binary alloy dendrite
Takaki, T.; Rojas, R.; Ohno, M.; Shimokawabe, T.; Aoki, T.
2015-06-01
A GPU code has been developed for a phase-field lattice Boltzmann (PFLB) method, which can simulate the dendritic growth with motion of solids in a dilute binary alloy melt. The GPU accelerated PFLB method has been implemented using CUDA C. The equiaxed dendritic growth in a shear flow and settling condition have been simulated by the developed GPU code. It has been confirmed that the PFLB simulations were efficiently accelerated by introducing the GPU computation. The characteristic dendrite morphologies which depend on the melt flow and the motion of the dendrite could also be confirmed by the simulations.
Computer Simulation of the Beating Human Heart
Peskin, Charles S.; McQueen, David M.
2001-06-01
The mechanical function of the human heart couples together the fluid mechanics of blood and the soft tissue mechanics of the muscular heart walls and flexible heart valve leaflets. We discuss a unified mathematical formulation of this problem in which the soft tissue looks like a specialized part of the fluid in which additional forces are applied. This leads to a computational scheme known as the Immersed Boundary (IB) method for solving the coupled equations of motion of the whole system. The IB method is used to construct a three-dimensional Virtual Heart, including representations of all four chambers of the heart and all four valves, in addition to the large arteries and veins that connect the heart to the rest of the circulation. The chambers, valves, and vessels are all modeled as collections of elastic (and where appropriate, actively contractile) fibers immersed in viscous incompressible fluid. Results are shown as a computer-generated video animation of the beating heart.
Monte Carlo simulations on SIMD computer architectures
Energy Technology Data Exchange (ETDEWEB)
Burmester, C.P.; Gronsky, R. [Lawrence Berkeley Lab., CA (United States); Wille, L.T. [Florida Atlantic Univ., Boca Raton, FL (United States). Dept. of Physics
1992-03-01
Algorithmic considerations regarding the implementation of various materials science applications of the Monte Carlo technique to single instruction multiple data (SMM) 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 Carlo updates per second for the MasPar architecture are presented and compared to values reported in the literature from comparable studies on other architectures.
Cardiovascular Physiology Teaching: Computer Simulations vs. Animal Demonstrations.
Samsel, Richard W.; And Others
1994-01-01
At the introductory level, the computer provides an effective alternative to using animals for laboratory teaching. Computer software can simulate the operation of multiple organ systems. Advantages of software include alteration of variables that are not easily changed in vivo, repeated interventions, and cost-effective hands-on student access.…
Use of Computer Simulations in Microbial and Molecular Genetics.
Wood, Peter
1984-01-01
Describes five computer programs: four simulations of genetic and physical mapping experiments and one interactive learning program on the genetic coding mechanism. The programs were originally written in BASIC for the VAX-11/750 V.3. mainframe computer and have been translated into Applesoft BASIC for Apple IIe microcomputers. (JN)
Computer Simulation of Breast Cancer Screening
2001-07-01
revisions, we became frustrated with this journal’s lack of timeliness and the reviewer’s lack of understanding of the role that physics plays in the...parameter ý may be considered as the radiologist’s gestalt . There are many applications where digital mammograms are analyzed by a computer, and in these...mammography: sensitivity and specificity in relation to hormone replacement therapy [see comments]. Radiology 1997; 203:339-341. (4) Duijm LE, Guit GL
Advanced Computer Simulations of Military Incinerators
2004-12-01
models contain 3D furnace and canister geometries and all of the relevant physics and chemistry. The destruction of chemical agent is predicted using...computational chemistry methods, chemical kinetics have been developed that describe the incineration of organo -phosphorus nerve agent (GB, VX) and...States. The chemical warfare agents (CWA) consist of mustard gas and other blister agents as well as organo -phosphorus nerve agents. Incineration was
Computer simulation of electronic excitations in beryllium
Popov, A V
2016-01-01
An effective method for the quantitative description of the electronic excited states of polyatomic systems is developed by using computer technology. The proposed method allows calculating various properties of matter at the atomic level within the uniform scheme. A special attention is paid to the description of beryllium atoms interactions with the external fields, comparable by power to the fields in atoms, molecules and clusters.
NUMERICAL SIMULATION ON 2-D WATER-AIR TWO-PHASE FLOW OVER TOP OUTLET
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
Flood discharge over top outlet of dam is simu-lated by 2-dimension water-air two-phase mathematical model.Distribution of dynamic pressure, turbulent kinetic energy (k), turbulent dissipation rate (ε) , free water surface and veloci-ty field have been obtained. The simulated results were testedby physical model, which shows that the computed results areidentical with that of the physical model.
Simulation of quantum computation : A deterministic event-based approach
Michielsen, K; De Raedt, K; De Raedt, H
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
Plant Closings and Capital Flight: A Computer-Assisted Simulation.
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)
Computer simulation program is adaptable to industrial processes
Schultz, F. E.
1966-01-01
The Reaction kinetics ablation program /REKAP/, developed to simulate ablation of various materials, provides mathematical formulations for computer programs which can simulate certain industrial processes. The programs are based on the use of nonsymmetrical difference equations that are employed to solve complex partial differential equation systems.
Assessment of Clinical Competence: Written and Computer-Based Simulations.
Swanson, David B.; And Others
1987-01-01
Literature concerning the validity and reliability of both written and computer-based simulations in assessing clinical competence in the health professions is reviewed, and suggestions are given for the improvement of the psychometric qualities of simulation-based tests. (MSE)
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...
Effectiveness of an Endodontic Diagnosis Computer Simulation Program.
Fouad, Ashraf F.; Burleson, Joseph A.
1997-01-01
Effectiveness of a computer simulation to teach endodontic diagnosis was assessed using three groups (n=34,32,24) of dental students. All were lectured on diagnosis, pathology, and radiographic interpretation. One group then used the simulation, another had a seminar on the same material, and the third group had no further instruction. Results…
A Computer Aided System for Simulating Weld Metal Solidification Crack
Institute of Scientific and Technical Information of China (English)
无
2001-01-01
A computer-aided system for simulating weld solidification crack has been developed by which a welding engineer can carry out the welding solidification crack simulation on the basis of a commercial finite element analysis software package. Its main functions include calculating the heat generations of the moving arc, mesh generation, calculating stress-strain distributions with element rebirth technique.
Learner Perceptions of Realism and Magic in Computer Simulations.
Hennessy, Sara; O'Shea, Tim
1993-01-01
Discusses the possible lack of credibility in educational interactive computer simulations. Topics addressed include "Shopping on Mars," a collaborative adventure game for arithmetic calculation that uses direct manipulation in the microworld; the Alternative Reality Kit, a graphical animated environment for creating interactive simulations; and…
Computer simulation of the NASA water vapor electrolysis reactor
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.
Enhancing Computer Science Education with a Wireless Intelligent Simulation Environment
Cook, Diane J.; Huber, Manfred; Yerraballi, Ramesh; Holder, Lawrence B.
2004-01-01
The goal of this project is to develop a unique simulation environment that can be used to increase students' interest and expertise in Computer Science curriculum. Hands-on experience with physical or simulated equipment is an essential ingredient for learning, but many approaches to training develop a separate piece of equipment or software for…
Flow simulations using particles - Bridging Computer Graphics and CFD
Koumoutsakos, Petros; Cottet, Georges-Henri; Rossinelli, Diego
2008-01-01
International audience; The simulation of fluid flows using particles is becoming increasingly popular in Computer Graphics (CG). The grid-free character of particles, the flexibility in handling complex flow configurations and the possibility to obtain visually realistic results with a small number of computational elements are some of the main reasons for the success of these methods. In the Computational Fluid Dynamics (CFD) community, the realization that by periodically regularizing the ...
COMPUTER SIMULATION OF A STIRLING REFRIGERATING MACHINE
Directory of Open Access Journals (Sweden)
V.V. Trandafilov
2015-10-01
Full Text Available In present numerical research, the mathematical model for precise performance simulation and detailed behavior of Stirling refrigerating machine is considered. The mathematical model for alpha Stirling refrigerating machine with helium as the working fluid will be useful in optimization of these machines mechanical design. Complete non-linear mathematical model of the machine, including thermodynamics of helium, and heat transfer from the walls, as well as heat transfer and gas resistance in the regenerator is developed. Non-dimensional groups are derived, and the mathematical model is numerically solved. Important design parameters are varied and their effect on Stirling refrigerating machine performance determined. The simulation results of Stirling refrigerating machine which include heat transfer and coefficient of performance are presented.
Computer simulation of proton channelling in silicon
Indian Academy of Sciences (India)
N K Deepak; K Rajasekharan; K Neelakandan
2000-06-01
The channelling of 3 MeV protons in the $\\langle 110\\rangle$ direction of silicon has been simulated using Vineyard model taking into account thermally vibrating nuclei and energy loss due to ionelectron interactions. A beam made up of constant energy particles but with spatial divergence has been simulated for the purpose. The values of the minimum scattering yield and half width of the channelling dip are shown to be depth sensitive and agree well with the measured values. The dependence of yield on the angle of incidence has been found to give information of all three types of channelling. The critical angles for the three types of channelling and wavelength of planar oscillations are consistent with the previous calculations.
Longwall coal mining operations computer simulation
Energy Technology Data Exchange (ETDEWEB)
Roxborough, F.F.
1982-01-01
This research thesis provides the mining analyst with an effective means of experimentation with any mining layout. SIMCAL is a generalised simulation program suitable for investigating different models. The models are constructed by arranging elements called activities, equipment items, memories and branches. The branches allow any number of activities to occur simultaneously and therefore allow the construction of a model even for the most complex real world system. Reports of the analysis are produced in tabular form and can be generated on a shift to shift basis together with graphical displays. After describing the ideas and procedures inherent in SIMCAL, a bord and pillar model was constructed and tested. The same problem was also tested in simulation program COALSIM. The two programs were compared and the existing differences explained. An initial model for a longwall method of mining is discussed and several interesting variations of modelling possibilities listed. The complete listing of the main program SIMCAL and the plotting program SIMPLOT are supplied.
Computer Simulation of Shipboard Electrical Distribution Systems
1989-06-01
1989 by nhd * added synch mach, speedreg, volt_reg,ind-motor, gasturbine , source integrator *** Modified 27 April 1989 by nhd * added volt meter typedef...ind motor :induction motor model gas turbine : gasturbine model voltmeter :three phase voltage meter name t_line 3p inputs 12 vOa vob voc vla vlb vlc... gasturbine , source integrator *** Modified 27 April 1989 by nhd * added volt meter typedef int (*FUNCTIONPTR) (); #define NBR_DEVFILES 2 /* number of device
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.
Energy Technology Data Exchange (ETDEWEB)
Xue Fei [Department of Material Science and Engineering, Tsinghua University, Beijing 100084 (China); Suzhou Nuclear Power Research Institute, Suzhou 215004 (China); Wang Zhaoxi, E-mail: wangzx03@mails.tsinghua.edu.cn [Suzhou Nuclear Power Research Institute, Suzhou 215004 (China); Applied Mechanics Laboratory, Tsinghua University, Beijing 100084 (China); Zhang Guodong [Suzhou Nuclear Power Research Institute, Suzhou 215004 (China); School of Mechanical and Power Engineering, Nanjing University of Technology, Nanjing 210009 (China); Qu Baoping; Shi Huiji [Applied Mechanics Laboratory, Tsinghua University, Beijing 100084 (China); Shu Guogang [Suzhou Nuclear Power Research Institute, Suzhou 215004 (China); Liu Wei [Department of Material Science and Engineering, Tsinghua University, Beijing 100084 (China)
2011-07-15
Highlights: > Thermal aging causes the Cr-rich phase precipitate and form clusters. > Phase field dynamic model is used for simulating the phase separation coarsening. > Damage initiated more easily in the ferrite matrix for the Cr clusters. - Abstract: Experiments and numerical simulations with Phase Field Model and Finite Element Analysis were carried out to investigate the phase separation dynamic properties and the corresponding thermal aging degradation mechanism. Experimental results from transmission electron microscopy and atomic force microscopy show that thermal aging causes the Cr-rich phase precipitate and form clusters. A phase field dynamic model was developed with constitutive relations and empirical potential functions to investigate the phase separation dynamics in the ferrite phase. Numerical results integrated with cell dynamical system method show clearly the micro structure morphology and the phase separation coarsening with aging time. The evolution process of the phase separation was quantitatively illustrated and reproduced macroscopically. The scattering pattern becomes clearer and the corresponding radius becomes smaller along with the increasing aging time. The average characteristic length increases firstly then decreases and enters a more stable stage. With the increment of the local Cr concentration, the evolution of the phase morphology was quite different. Finite Element Analysis simulation results with the Gurson-Tvergaard-Needleman void model show that the damage initiated more easily in the ferrite matrix for the Cr atoms forming clusters with increasing aging time. The phenomenological simulations with Phase Field Model and Finite Element Analysis were in remarkably good agreement with experimental results and analytical considerations.
Quantitative isothermal phase-field simulations of peritectic phase transformation in FeMn system
Directory of Open Access Journals (Sweden)
Celso Luiz Moraes Alves
2016-01-01
Full Text Available The present investigation shows quantitative results for the peritectic phase transformation of FeMn alloys utilizing phase-field simulations in 1-D and 2-D. The phase-field method used was based on an adaptation of the proposal of Folch and Plapp [Phys. Rev. E, 2005, 72, 011602] for the eutectic reaction. The two stages of peritectic phase transformation, the peritectic reaction and the peritectic transformation, were investigated numerically utilizing this phase-field approach. The evolution of the phases was quantitatively analyzed during the peritectic transformation and the fractions of the phases at the end of the solidification were compared with the thermodynamic equilibrium, defined by the phase diagram, for the case of 1-D simulation with peritectic concentration. An assessment of the behavior of the concentration gradient in the γ-phase (the peritectic phase through time was also carried out and a mathematical function which describes the γ-phase thickness evolution was defined. Finally, 2-D simulations were performed to clearly identify the two stages of the peritectic phase transformation. The obtained results show two main facts: (1 the numerical model is able to simulate quantitatively this phase transformation; and, (2 this numerical tool can be utilized for investigating quantitatively some aspects (normally determined indirectly that are difficult to be determined by direct measurements in experimental works.
Computer simulation for centrifugal mold filling of precision titanium castings
Institute of Scientific and Technical Information of China (English)
无
2004-01-01
Computer simulation codes were developed based on a proposed mathematical model for centrifugal mold filling processes and previous computer software for 3D mold filling and solidification of castings (CASM-3D for Windows). Sample simulations were implemented for mold filling processes of precision titanium castings under gravity and different centrifugal casting techniques. The computation results show that the alloy melt has a much stronger mold filling ability for thin section castings under a centrifugal force field than that only under the gravity. A "return back" mold filling manner is showed to be a reasonable technique for centrifugal casting processes, especially for thin section precision castings.
Simulation of scanning transmission electron microscope images on desktop computers
Energy Technology Data Exchange (ETDEWEB)
Dwyer, C., E-mail: christian.dwyer@mcem.monash.edu.au [Monash Centre for Electron Microscopy, Department of Materials Engineering, Monash University, Victoria 3800 (Australia)
2010-02-15
Two independent strategies are presented for reducing the computation time of multislice simulations of scanning transmission electron microscope (STEM) images: (1) optimal probe sampling, and (2) the use of desktop graphics processing units. The first strategy is applicable to STEM images generated by elastic and/or inelastic scattering, and requires minimal effort for its implementation. Used together, these two strategies can reduce typical computation times from days to hours, allowing practical simulation of STEM images of general atomic structures on a desktop computer.
Advanced computer graphic techniques for laser range finder (LRF) simulation
Bedkowski, Janusz; Jankowski, Stanislaw
2008-11-01
This paper show an advanced computer graphic techniques for laser range finder (LRF) simulation. The LRF is the common sensor for unmanned ground vehicle, autonomous mobile robot and security applications. The cost of the measurement system is extremely high, therefore the simulation tool is designed. The simulation gives an opportunity to execute algorithm such as the obstacle avoidance[1], slam for robot localization[2], detection of vegetation and water obstacles in surroundings of the robot chassis[3], LRF measurement in crowd of people[1]. The Axis Aligned Bounding Box (AABB) and alternative technique based on CUDA (NVIDIA Compute Unified Device Architecture) is presented.
Advanced Simulation Capability for Environmental Management (ASCEM) Phase II Demonstration
Energy Technology Data Exchange (ETDEWEB)
Freshley, M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hubbard, S. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Flach, G. [Savannah River National Lab. (SRNL), Aiken, SC (United States); Freedman, V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Agarwal, D. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Andre, B. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Bott, Y. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Chen, X. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Davis, J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Faybishenko, B. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Gorton, I. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Murray, C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Moulton, D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Meyer, J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Rockhold, M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Shoshani, A. [LBNL; Steefel, C. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Wainwright, H. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Waichler, S. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
2012-09-28
In 2009, the National Academies of Science (NAS) reviewed and validated the U.S. Department of Energy Office of Environmental Management (EM) Technology Program in its publication, Advice on the Department of Energy’s Cleanup Technology Roadmap: Gaps and Bridges. The NAS report outlined prioritization needs for the Groundwater and Soil Remediation Roadmap, concluded that contaminant behavior in the subsurface is poorly understood, and recommended further research in this area as a high priority. To address this NAS concern, the EM Office of Site Restoration began supporting the development of the Advanced Simulation Capability for Environmental Management (ASCEM). ASCEM is a state-of-the-art scientific approach that uses an integration of toolsets for understanding and predicting contaminant fate and transport in natural and engineered systems. The ASCEM modeling toolset is modular and open source. It is divided into three thrust areas: Multi-Process High Performance Computing (HPC), Platform and Integrated Toolsets, and Site Applications. The ASCEM toolsets will facilitate integrated approaches to modeling and site characterization that enable robust and standardized assessments of performance and risk for EM cleanup and closure activities. During fiscal year 2012, the ASCEM project continued to make significant progress in capabilities development. Capability development occurred in both the Platform and Integrated Toolsets and Multi-Process HPC Simulator areas. The new Platform and Integrated Toolsets capabilities provide the user an interface and the tools necessary for end-to-end model development that includes conceptual model definition, data management for model input, model calibration and uncertainty analysis, and model output processing including visualization. The new HPC Simulator capabilities target increased functionality of process model representations, toolsets for interaction with the Platform, and model confidence testing and verification for
Confidence estimates in simulation of phase noise or spectral density.
Ashby, Neil
2017-02-13
In this paper we apply the method of discrete simulation of power law noise, developed in [1],[3],[4], to the problem of simulating phase noise for a combination of power law noises. We derive analytic expressions for the probability of observing a value of phase noise L(f) or of any of the onesided spectral densities S(f); Sy(f), or Sx(f), for arbitrary superpositions of power law noise.
Use of computer graphics simulation for teaching of flexible sigmoidoscopy.
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.
Computer Models Simulate Fine Particle Dispersion
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.
Computer Simulations of Coupled Piano Strings
Albert, Destiny L.
1997-03-01
The behavior of coupled piano strings is studied by using a finite difference scheme. The coupling of the strings produce motion in two transverse directions, parallel and perpendicular to the soundboard. The sound induced shows two decay rates, a rapid decay followed by a slow decay. These effects are in agreement with experimental results. (Weinreich, Gabriel. "The Coupled Motion of Piano Strings." Scientific American. January 1979) . Our simulations suggest that the motion of the end supports contributes to the elliptical motion of the strings. Furthermore, multiple strings contribute to the quality of the sound produced by a piano.
Computational challenges in modeling and simulating living matter
Sena, Alexandre C.; Silva, Dilson; Marzulo, Leandro A. J.; de Castro, Maria Clicia Stelling
2016-12-01
Computational modeling has been successfully used to help scientists understand physical and biological phenomena. Recent technological advances allowthe simulation of larger systems, with greater accuracy. However, devising those systems requires new approaches and novel architectures, such as the use of parallel programming, so that the application can run in the new high performance environments, which are often computer clusters composed of different computation devices, as traditional CPUs, GPGPUs, Xeon Phis and even FPGAs. It is expected that scientists take advantage of the increasing computational power to model and simulate more complex structures and even merge different models into larger and more extensive ones. This paper aims at discussing the challenges of using those devices to simulate such complex systems.
Micromechanics-Based Computational Simulation of Ceramic Matrix Composites
Murthy, Pappu L. N.; Mutal, Subodh K.; Duff, Dennis L. (Technical Monitor)
2003-01-01
Advanced high-temperature Ceramic Matrix Composites (CMC) hold an enormous potential for use in aerospace propulsion system components and certain land-based applications. However, being relatively new materials, a reliable design properties database of sufficient fidelity does not yet exist. To characterize these materials solely by testing is cost and time prohibitive. Computational simulation then becomes very useful to limit the experimental effort and reduce the design cycle time, Authors have been involved for over a decade in developing micromechanics- based computational simulation techniques (computer codes) to simulate all aspects of CMC behavior including quantification of scatter that these materials exhibit. A brief summary/capability of these computer codes with typical examples along with their use in design/analysis of certain structural components is the subject matter of this presentation.
Associative Memory computing power and its simulation.
Ancu, L S; Britzger, D; Giannetti, P; Howarth, J W; Luongo, C; Pandini, C; Schmitt, S; Volpi, G
2015-01-01
An important step in the ATLAS upgrade program is the installation of a tracking processor, the Fast Tracker (FTK), with the goal to identify the tracks generated from charged tracks originated by the LHC 14 TeV proton-proton. The collisions will generate thousands of hits in each layer of the silicon tracker detector and track identification is a very challenging computational problem. At the core of the FTK there is associative memory (AM) system, made with hundreds of AM ASICs chips, specifically designed to allow pattern identification in high density environments at very high speed. This component is able to organize the following steps of the track identification providing a huge computing power for a specific application. The AM system will in fact being able to reconstruct tracks in 10s of microseconds. Within the FTK team there has also been a constant effort to maintain a detailed emulation of the system, to predict the impact of single component features in the final performance and in the ATLAS da...
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.
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.
Computer simulation of vasectomy for wolf control
Haight, R.G.; Mech, L.D.
1997-01-01
Recovering gray wolf (Canis lupus) populations in the Lake Superior region of the United States are prompting state management agencies to consider strategies to control population growth. In addition to wolf removal, vasectomy has been proposed. To predict the population effects of different sterilization and removal strategies, we developed a simulation model of wolf dynamics using simple rules for demography and dispersal. Simulations suggested that the effects of vasectomy and removal in a disjunct population depend largely on the degree of annual immigration. With low immigration, periodic sterilization reduced pup production and resulted in lower rates of territory recolonization. Consequently, average pack size, number of packs, and population size were significantly less than those for an untreated population. Periodically removing a proportion of the population produced roughly the same trends as did sterilization; however, more than twice as many wolves had to be removed than sterilized. With high immigration, periodic sterilization reduced pup production but not territory recolonization and produced only moderate reductions in population size relative to an untreated population. Similar reductions in population size were obtained by periodically removing large numbers of wolves. Our analysis does not address the possible effects of vasectomy on larger wolf populations, but it suggests that the subject should be considered through modeling or field testing.
3D Computational Simulation of Calcium Leaching in Cement Matrices
Directory of Open Access Journals (Sweden)
Gaitero, J. J.
2014-12-01
Full Text Available Calcium leaching is a degradation process consisting in progressive dissolution of the cement paste by migration of calcium atoms to the aggressive solution. It is therefore, a complex phenomenon involving several phases and dissolution and diffusion processes simultaneously. Along this work, a new computational scheme for the simulation of the degradation process in three dimensions was developed and tested. The toolkit was used to simulate accelerated calcium leaching by a 6M ammonium nitrate solution in cement matrices. The obtained outputs were the three dimensional representation of the matrix and the physicochemical properties of individual phases as a consequence of the degradation process. This not only makes it possible to study the evolution of such properties as a function of time but also as a function of the position within the matrix. The obtained results are in good agreement with experimental values of the elastic modulus in degraded and undegraded samples.El lixiviado de calcio es un proceso de degradación consistente en la disolución progresiva de la pasta de cemento por la migración de los átomos de calcio a la disolución agresiva. Se trata por tanto de un fenómeno complejo que involucra simultáneamente diferentes fases y procesos de disolución y difusión. En este trabajo se desarrolló y probó una nueva herramienta computacional para la simulación del proceso de degradación en tres dimensiones. Para ello se simuló el lixiviado de calcio acelerado provocado por una disolución de nitrato amónico 6M en matrices de cemento. Como resultado se obtuvieron la representación tridimensional de la matriz y las propiedades físico-químicas sus fases a lo largo del tiempo. Esto permitió estudiar la evolución de dichas propiedades a lo largo del proceso de degradación así como en función de su posición dentro de la matriz. Los resultados obtenidos coinciden con los valores experimentales del módulo elástico tanto
Institute of Scientific and Technical Information of China (English)
WANG Yu; HE Pingting; YE Hong; XIN Zhihong
2007-01-01
Instantaneous flow field and temperature field of the two-phase fluid are measured by particle image velocimetry (PIV) and steady state method during the state of onflow. A turbulent two-phase fluid model of stirred bioreactor with punched impeller is established by the computational fluid dynamics (CFD), using a rotating coordinate system and sliding mesh to describe the relative motion between impeller and baffles. The simulation and experiment results of flow and temperature field prove their warps are less than 10% and the mathematic model can well simulate the fields, which will also provide the study on optimized-design and scale-up of bioreactors with reference value.
Simulation of phase separation in quiescent and sheared liquids
Thakre, Amol Kumar
2008-01-01
In this thesis we report on molecular dynamics simulations of phase separation of simple and complex binary liquids in sheared and non-sheared systems. The separation of milk into liquid whey and solid curd is a very common example of phase separation observed in daily life. The phenomenon finds its
Teaching Computer Organization and Architecture Using Simulation and FPGA Applications
Directory of Open Access Journals (Sweden)
D. K.M. Al-Aubidy
2007-01-01
Full Text Available 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 implemented to write assembly programs in this teaching tool. In addition to the micro-operation simulation, the complete configuration can be run on Xilinx Spartan-3 FPGA board. Such implementation offers good code density, easy customization, easily developed software, small area, and high performance at low cost.
Computation simulation of the nonlinear response of suspension bridges
Energy Technology Data Exchange (ETDEWEB)
McCallen, D.B.; Astaneh-Asl, A.
1997-10-01
Accurate computational simulation of the dynamic response of long- span bridges presents one of the greatest challenges facing the earthquake engineering community The size of these structures, in terms of physical dimensions and number of main load bearing members, makes computational simulation of transient response an arduous task. Discretization of a large bridge with general purpose finite element software often results in a computational model of such size that excessive computational effort is required for three dimensional nonlinear analyses. The aim of the current study was the development of efficient, computationally based methodologies for the nonlinear analysis of cable supported bridge systems which would allow accurate characterization of a bridge with a relatively small number of degrees of freedom. This work has lead to the development of a special purpose software program for the nonlinear analysis of cable supported bridges and the methodologies and software are described and illustrated in this paper.
High performance computing network for cloud environment using simulators
Singh, N Ajith
2012-01-01
Cloud computing is the next generation computing. Adopting the cloud computing is like signing up new form of a website. The GUI which controls the cloud computing make is directly control the hardware resource and your application. The difficulty part in cloud computing is to deploy in real environment. Its' difficult to know the exact cost and it's requirement until and unless we buy the service not only that whether it will support the existing application which is available on traditional data center or had to design a new application for the cloud computing environment. The security issue, latency, fault tolerance are some parameter which we need to keen care before deploying, all this we only know after deploying but by using simulation we can do the experiment before deploying it to real environment. By simulation we can understand the real environment of cloud computing and then after it successful result we can start deploying your application in cloud computing environment. By using the simulator it...
Direct determination of liquid phase coexistence by Monte Carlo simulations
Zweistra, H.J.A.; Besseling, N.A.M.
2006-01-01
A formalism to determine coexistence points by means of Monte Carlo simulations is presented. The general idea of the method is to perform a simulation simultaneously in several unconnected boxes which can exchange particles. At equilibrium, most of the boxes will be occupied by a homogeneous phase.
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.
Osmosis : a molecular dynamics computer simulation study
Lion, Thomas
Osmosis is a phenomenon of critical importance in a variety of processes ranging from the transport of ions across cell membranes and the regulation of blood salt levels by the kidneys to the desalination of water and the production of clean energy using potential osmotic power plants. However, despite its importance and over one hundred years of study, there is an ongoing confusion concerning the nature of the microscopic dynamics of the solvent particles in their transfer across the membrane. In this thesis the microscopic dynamical processes underlying osmotic pressure and concentration gradients are investigated using molecular dynamics (MD) simulations. I first present a new derivation for the local pressure that can be used for determining osmotic pressure gradients. Using this result, the steady-state osmotic pressure is studied in a minimal model for an osmotic system and the steady-state density gradients are explained using a simple mechanistic hopping model for the solvent particles. The simulation setup is then modified, allowing us to explore the timescales involved in the relaxation dynamics of the system in the period preceding the steady state. Further consideration is also given to the relative roles of diffusive and non-diffusive solvent transport in this period. Finally, in a novel modification to the classic osmosis experiment, the solute particles are driven out-of-equilibrium by the input of energy. The effect of this modification on the osmotic pressure and the osmotic ow is studied and we find that active solute particles can cause reverse osmosis to occur. The possibility of defining a new "osmotic effective temperature" is also considered and compared to the results of diffusive and kinetic temperatures..
Histogram method in finite density QCD with phase quenched simulations
Nakagawa, Y; Aoki, S; Kanaya, K; Ohno, H; Saito, H; Hatsuda, T; Umeda, T
2011-01-01
We propose a new approach to finite density QCD based on a histogram method with phase quenched simulations at finite chemical potential. Integrating numerically the derivatives of the logarithm of the quark determinant with respect to the chemical potential, we calculate the reweighting factor and the complex phase of the quark determinant. The complex phase is handled with a cumulant expansion to avoid the sign problem. We examine the applicability of this method.
An introduction to computer simulation methods applications to physical systems
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...
Macro—Dataflow Computational Model and Its Simulation
Institute of Scientific and Technical Information of China (English)
孙昱东; 谢志良
1990-01-01
This paper discusses the relationship between parallelism granularity and system overhead of dataflow computer systems,and indicates that a trade-off between them should be determined to obtain optimal efficiency of the overall system.On the basis of this discussion,a macro-dataflow computational model is established to exploit the task-level parallelism.Working as a macro-dataflow computer,an Experimental Distributed Dataflow Simulation System(EDDSS)is developed to examine the effectiveness of the macro-dataflow computational model.
Computer simulation of normal and pathological copper metabolism in man.
Blincoe, C
1993-01-01
A digital computer simulation of copper metabolism was used to simulate human copper metabolism. The simulation agrees well with the normal data extant. Wilson's disease (hepatolenticular degeneration) and Menkes' disease (steely-hair syndrome) were simulated. Simulation of the unavailability of accumulated liver copper simulated Wilson's disease if it was assumed that the increased urinary excretion was due to induction of an enzymic mechanism for enhanced excretion. This would be consistent with the genetic defect causing only the sequestering of unavailable copper in the liver. Other genetic defects need not be present. Menkes' disease is also a genetic disease affecting the newborn. It was simulated successfully as a defect in absorption of copper from the gastrointestinal tract.
Naglič, Peter; Pernuš, Franjo; Likar, Boštjan; Bürmen, Miran
2017-01-01
Analytical expressions for sampling the scattering angle from a phase function in Monte Carlo simulations of light propagation are available only for a limited number of phase functions. Consequently, numerical sampling methods based on tabulated values are often required instead. By using Monte Carlo simulated reflectance, we compare two existing and propose an improved numerical sampling method and show that both the number of the tabulated values and the numerical sampling method significantly influence the accuracy of the simulated reflectance. The provided results and guidelines should serve as a good starting point for conducting computationally efficient Monte Carlo simulations with numerical phase function sampling. PMID:28663872
Study of Real—Time Simulation for Two—Phase Flow Network
Institute of Scientific and Technical Information of China (English)
XieMaoqing; ZhuWen; 等
1995-01-01
To meet the need of real-time simulation for two-phase flow network in power plants,this paper presents a mathematical model based on basic principles and a numerical solution method.This model can be used to describe nonhomogeneous two-phase flow networks.The algorithm presented in this paper makes use of the sparsity,the symmetyr and the diagonal dominancy of the coefficient matrix to save storage space,reduce computational time and meet the requirements of real-time simulations.
Computer simulation of diffractive optical element (DOE) performance
Delacour, Jacques F.; Venturino, Jean-Claude; Gouedard, Yannick
2004-02-01
Diffractive optical elements (DOE), also known as computer generated holograms (CGH), can transform an illuminating laser beam into a specified intensity distribution by diffraction rather than refraction or reflection. These are widely used in coherent light systems with beam shaping purposes, as an alignment tool or as a structured light generator. The diffractive surface is split into an array of sub-wavelength depth cells. Each of these locally transforms the beam by phase adaptation. Based on the work of the LSP lab from the University of Strasbourg, France, we have developed a unique industry-oriented tool. It allows the user first to optimize a DOE using the Gerchberg-Saxton algorithm. This part can manage sources from the simple plane wave to high order Gaussian modes or complex maps defined beams and objective patterns based on BMP images. A simulation part permits then to test the performance of the DOE with regard to system parameters, dealing with the beam, the DOE itself and the system organization. This will meet the needs of people concerned by tolerancing issues. Focusing on the industrial problem of beam shaping, we will present the whole DOE design sequence, starting from the generation of a DOE up to the study of the sensitivity of its performance according to the variation of several parameters of the system. For example, we will show the influence of the position of the beam on diffraction efficiency. This unique feature formerly neglected in industrial design process will lead the way to production quality improvement.
Computational algorithms to simulate the steel continuous casting
Ramírez-López, A.; Soto-Cortés, G.; Palomar-Pardavé, M.; Romero-Romo, M. A.; Aguilar-López, R.
2010-10-01
Computational simulation is a very powerful tool to analyze industrial processes to reduce operating risks and improve profits from equipment. The present work describes the development of some computational algorithms based on the numerical method to create a simulator for the continuous casting process, which is the most popular method to produce steel products for metallurgical industries. The kinematics of industrial processing was computationally reproduced using subroutines logically programmed. The cast steel by each strand was calculated using an iterative method nested in the main loop. The process was repeated at each time step (Δ t) to calculate the casting time, simultaneously, the steel billets produced were counted and stored. The subroutines were used for creating a computational representation of a continuous casting plant (CCP) and displaying the simulation of the steel displacement through the CCP. These algorithms have been developed to create a simulator using the programming language C++. Algorithms for computer animation of the continuous casting process were created using a graphical user interface (GUI). Finally, the simulator functionality was shown and validated by comparing with the industrial information of the steel production of three casters.
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.
Advances in Computational Social Science and Social Simulation
2014-01-01
Aquesta conferència és la celebració conjunta de la "10th Artificial Economics Conference AE", la "10th Conference of the European Social Simulation Association ESSA" i la "1st Simulating the Past to Understand Human History SPUHH". Conferència organitzada pel Laboratory for Socio-Historical Dynamics Simulation (LSDS-UAB) de la Universitat Autònoma de Barcelona. Readers will find results of recent research on computational social science and social simulation economics, management, so...
Computer simulation tests of optimized neutron powder diffractometer configurations
Energy Technology Data Exchange (ETDEWEB)
Cussen, L.D., E-mail: Leo@CussenConsulting.com [Cussen Consulting, 23 Burgundy Drive, Doncaster 3108 (Australia); Lieutenant, K., E-mail: Klaus.Lieutenant@helmholtz-berlin.de [Helmholtz Zentrum Berlin, Hahn-Meitner Platz 1, 14109 Berlin (Germany)
2016-06-21
Recent work has developed a new mathematical approach to optimally choose beam elements for constant wavelength neutron powder diffractometers. This article compares Monte Carlo computer simulations of existing instruments with simulations of instruments using configurations chosen using the new approach. The simulations show that large performance improvements over current best practice are possible. The tests here are limited to instruments optimized for samples with a cubic structure which differs from the optimization for triclinic structure samples. A novel primary spectrometer design is discussed and simulation tests show that it performs as expected and allows a single instrument to operate flexibly over a wide range of measurement resolution.
Computer simulation studies of pulsed Doppler signals from vortices
Institute of Scientific and Technical Information of China (English)
CHEN Sizhong; WANG Yuanyuan; WANG Weiqi
2001-01-01
A computer simulation method for pulsed Doppler signals from vortices was proposed to generate simulated vortex Doppler signals under various given circumstances. The relative waveforms, such as the maximum frequency waveform, the mean frequency waveform and the bandwidth waveform, were obtained using the short time Fourier analysis of those simulated signals. The relations were studied between several spectrum parameters obtained from these waveforms and given simulation conditions, such as the position and the size of the sample volume, the distance between two vortices, the free stream velocity and the maximum tangent velocity of the vortex. The sensitive parameters were found to detect vortices using the pulsed Doppler techniques.
A computer-based simulator of the atmospheric turbulence
Konyaev, Petr A.
2015-11-01
Computer software for modeling the atmospheric turbulence is developed on the basis of a time-varying random medium simulation algorithm and a split-step Fourier transform method for solving a wave propagation equation. A judicious choice of the simulator parameters, like the velocity of the evolution and motion of the medium, turbulence spectrum and scales, enables different effects of a random medium on the optical wavefront to be simulated. The implementation of the simulation software is shown to be simple and efficient due to parallel programming functions from the MKL Intel ® Parallel Studio libraries.
Ab initio simulations of phase stability and martensitic transitions in NiTi
Haskins, Justin B.; Thompson, Alexander E.; Lawson, John W.
2016-12-01
For NiTi-based alloys, the shape memory effect is governed by a transition from a low-temperature martensite phase to a high-temperature austenite phase. Despite considerable experimental and computational work, basic questions regarding the stability of the phases and the martensitic phase transition remain unclear even for the simple case of binary, equiatomic NiTi. We perform ab initio molecular dynamics simulations to describe the temperature-dependent behavior of NiTi and resolve several of these outstanding issues. Structural correlation functions and finite temperature phonon spectra are evaluated to determine phase stability. We show that finite temperature, entropic effects stabilize the experimentally observed martensite (B19') and austenite (B2) phases while destabilizing the theoretically predicted (B33) phase. Free energy computations based on ab initio thermodynamic integration confirm these results and permit estimates of the transition temperature between the phases. In addition to the martensitic phase transition, we predict a new transition between the B33 and B19' phases. The role of defects in suppressing phase transformation temperatures is discussed.
Ab Initio Simulations of Temperature Dependent Phase Stability and Martensitic Transitions in NiTi
Haskins, Justin B.; Thompson, Alexander E.; Lawson, John W.
2016-01-01
For NiTi based alloys, the shape memory effect is governed by a transition from a low-temperature martensite phase to a high-temperature austenite phase. Despite considerable experimental and computational work, basic questions regarding the stability of the phases and the martensitic phase transition remain unclear even for the simple case of binary, equiatomic NiTi. We perform ab initio molecular dynamics simulations to describe the temperature-dependent behavior of NiTi and resolve several of these outstanding issues. Structural correlation functions and finite temperature phonon spectra are evaluated to determine phase stability. In particular, we show that finite temperature, entropic effects stabilize the experimentally observed martensite (B19') and austenite (B2) phases while destabilizing the theoretically predicted (B33) phase. Free energy computations based on ab initio thermodynamic integration confirm these results and permit estimates of the transition temperature between the phases. In addition to the martensitic phase transition, we predict a new transition between the B33 and B19' phases. The role of defects in suppressing these phase transformations is discussed.
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.
Associative Memory computing power and its simulation.
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...
Computer simulation of polypeptides in a confinement.
Sikorski, Andrzej; Romiszowski, Piotr
2007-02-01
A coarse-grained model of polypeptide chains confined in a slit formed by two parallel impenetrable surfaces was studied. The chains were flexible heteropolymers (polypeptides) built of two kinds of united atoms-hydrophobic and hydrophilic. The positions of the united atoms were restricted to the vertices of a [310] lattice. The force field consisted of a rigorous excluded volume, a long-distance potential between a pair of amino-acid residues and a local preference for forming secondary structure (helices). The properties of the chains were studied at a wide range of temperatures from good to bad solvent conditions. Monte-Carlo simulations were carried out using the algorithm based on the chain's local changes of conformation and employing the Replica Exchange technique. The influence of the chain length, the distances between the confining surfaces, the temperature and the force field on the dimension and the structure of chains were studied. It was shown that the presence of the confinement chain complicates the process of the chain collapse to low-temperature structures. For some conditions, one can find a rapid decrease of chain size and a second transition indicated by the rapid decrease of the total energy of the system.
Numerical simulations of two-phase Taylor-Couette turbulence using an Euler-Lagrange approach
Spandan, Vamsi; Verzicco, Roberto; Lohse, Detlef
2015-01-01
Two-phase turbulent Taylor-Couette (TC) flow is simulated using an Euler-Lagrange approach to study the effects of a secondary phase dispersed into a turbulent carrier phase (here bubbles dispersed into water). The dynamics of the carrier phase is computed using Direct Numerical Simulations (DNS) in an Eulerian framework, while the bubbles are tracked in a Lagrangian manner by modelling the effective drag, lift, added mass and buoyancy force acting on them. Two-way coupling is implemented between the dispersed phase and the carrier phase which allows for momentum exchange among both phases and to study the effect of the dispersed phase on the carrier phase dynamics. The radius ratio of the TC setup is fixed to $\\eta=0.833$, and a maximum inner cylinder Reynolds number of $Re_i=8000$ is reached. We vary the Froude number ($Fr$), which is the ratio of the centripetal to the gravitational acceleration of the dispersed phase and study its effect on the net torque required to drive the TC system. In a two-phase TC...
SiMon: Simulation Monitor for Computational Astrophysics
Qian, Penny Xuran; 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.
DEVELOPMENT OF SINGLE-PHASED WATER-COOLING RADIATOR FOR COMPUTER CHIP
Institute of Scientific and Technical Information of China (English)
ZENG Ping; CHENG Guangming; LIU Jiulong; YANG Zhigang; SUN Xiaofeng; PENG Taijiang
2007-01-01
In order to cool computer chip efficiently with the least noise, a single phase water-cooling radiator for computer chip driven by piezoelectric pump with two parallel-connection chambers is developed. The structure and work principle of this radiator is described. Material, processing method and design principles of whole radiator are also explained. Finite element analysis (FEA) software,ANSYS, is used to simulate the heat distribution in the radiator. Testing equipments for water-cooling radiator are also listed. By experimental tests, influences of flowrate inside the cooling system and fan on chip cooling are explicated. This water-cooling radiator is proved more efficient than current air-cooling radiator with comparison experiments. During cooling the heater which simulates the working of computer chip with different power, the water-cooling radiator needs shorter time to reach lower steady temperatures than current air-cooling radiator.
Phase-field simulation of dendritic solidification using a full threaded tree with adaptive meshing
Institute of Scientific and Technical Information of China (English)
Yin Yajun; Zhou Jianxin; Liao Dunming; Pang Shengyong; Shen Xu
2014-01-01
Simulation of the microstructure evolution during solidification is greatly beneficial to the control of solidification microstructures. A phase-field method based on the ful threaded tree (FTT) for the simulation of casting solidification microstructure was proposed in this paper, and the structure of the ful threaded tree and the mesh refinement method was discussed. During dendritic growth in solidification, the mesh for simulation is adaptively refined at the liquid-solid interface, and coarsened in other areas. The numerical results of a three-dimension dendrite growth indicate that the phase-field method based on FTT is suitable for microstructure simulation. Most importantly, the FTT method can increase the spatial and temporal resolutions beyond the limits imposed by the available hardware compared with the conventional uniform mesh. At the simulation time of 0.03 s in this study, the computer memory used for computation is no more than 10 MB with the FTT method, while it is about 50 MB with the uniform mesh method. In addition, the proposed FTT method is more efficient in computation time when compared with the uniform mesh method. It would take about 20 h for the uniform mesh method, while only 2 h for the FTT method for computation when the solidification time is 0.17 s in this study.
Computational Analysis of the SRS Phase III Salt Disposition Alternatives
Energy Technology Data Exchange (ETDEWEB)
Dimenna, R.A.
1999-10-07
Completion of the Phase III evaluation and comparison of salt disposition alternatives was supported with enhanced computer models and analysis for each case on the ''short list'' of four options. SPEEDUP(TM) models and special purpose models describing mass and energy balances and flow rates were developed and used to predict performance and production characteristics for each of the options. Results from the computational analysis were a key part of the input used to select a primary and an alternate salt disposition alternative.
Advances in Computational Fluid-Structure Interaction and Flow Simulation Conference
Takizawa, Kenji
2016-01-01
This contributed volume celebrates the work of Tayfun E. Tezduyar on the occasion of his 60th birthday. The articles it contains were born out of the Advances in Computational Fluid-Structure Interaction and Flow Simulation (AFSI 2014) conference, also dedicated to Prof. Tezduyar and held at Waseda University in Tokyo, Japan on March 19-21, 2014. The contributing authors represent a group of international experts in the field who discuss recent trends and new directions in computational fluid dynamics (CFD) and fluid-structure interaction (FSI). Organized into seven distinct parts arranged by thematic topics, the papers included cover basic methods and applications of CFD, flows with moving boundaries and interfaces, phase-field modeling, computer science and high-performance computing (HPC) aspects of flow simulation, mathematical methods, biomedical applications, and FSI. Researchers, practitioners, and advanced graduate students working on CFD, FSI, and related topics will find this collection to be a defi...
A computational predictor of human episodic memory based on a theta phase precession network.
Directory of Open Access Journals (Sweden)
Naoyuki Sato
Full Text Available In the rodent hippocampus, a phase precession phenomena of place cell firing with the local field potential (LFP theta is called "theta phase precession" and is considered to contribute to memory formation with spike time dependent plasticity (STDP. On the other hand, in the primate hippocampus, the existence of theta phase precession is unclear. Our computational studies have demonstrated that theta phase precession dynamics could contribute to primate-hippocampal dependent memory formation, such as object-place association memory. In this paper, we evaluate human theta phase precession by using a theory-experiment combined analysis. Human memory recall of object-place associations was analyzed by an individual hippocampal network simulated by theta phase precession dynamics of human eye movement and EEG data during memory encoding. It was found that the computational recall of the resultant network is significantly correlated with human memory recall performance, while other computational predictors without theta phase precession are not significantly correlated with subsequent memory recall. Moreover the correlation is larger than the correlation between human recall and traditional experimental predictors. These results indicate that theta phase precession dynamics are necessary for the better prediction of human recall performance with eye movement and EEG data. In this analysis, theta phase precession dynamics appear useful for the extraction of memory-dependent components from the spatio-temporal pattern of eye movement and EEG data as an associative network. Theta phase precession may be a common neural dynamic between rodents and humans for the formation of environmental memories.
Fersht, Alan R
2002-10-29
There are proposals to overcome the current incompatibilities between the time scales of protein folding and molecular dynamics simulation by using a large number of short simulations of only tens of nanoseconds (distributed computing). According to the principles of first-order kinetic processes, a sufficiently large number of short simulations will include, de facto, a small number of long time scale events that have proceeded to completion. But protein folding is not an elementary kinetic step: folding has a series of early conformational steps that lead to lag phases at the beginning of the kinetics. The presence of these lag phases can bias short simulations toward selecting minor pathways that have fewer or faster lag steps and so miss the major folding pathways. Attempts to circumvent the lags by using loosely coupled parallel simulations that search for first-order transitions are also problematic because of the difficulty of detecting transitions in molecular dynamics simulations. Nevertheless, the procedure of using parallel independent simulations is perfectly valid and quite feasible once the time scale of simulation proceeds past the lag phases into a single exponential region.
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.
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.
Monte Carlo computer simulation of sedimentation of charged hard spherocylinders
Energy Technology Data Exchange (ETDEWEB)
Viveros-Méndez, P. X., E-mail: xviveros@fisica.uaz.edu.mx; Aranda-Espinoza, S. [Unidad Académica de Física, Universidad Autónoma de Zacatecas, Calzada Solidaridad esq. Paseo, La Bufa s/n, 98060 Zacatecas, Zacatecas, México (Mexico); Gil-Villegas, Alejandro [Departamento de Ingeniería Física, División de Ciencias e Ingenierías, Campus León, Universidad de Guanajuato, Loma del Bosque 103, Lomas del Campestre, 37150 León, Guanajuato, México (Mexico)
2014-07-28
In this article we present a NVT Monte Carlo computer simulation study of sedimentation of an electroneutral mixture of oppositely charged hard spherocylinders (CHSC) with aspect ratio L/σ = 5, where L and σ are the length and diameter of the cylinder and hemispherical caps, respectively, for each particle. This system is an extension of the restricted primitive model for spherical particles, where L/σ = 0, and it is assumed that the ions are immersed in an structureless solvent, i.e., a continuum with dielectric constant D. The system consisted of N = 2000 particles and the Wolf method was implemented to handle the coulombic interactions of the inhomogeneous system. Results are presented for different values of the strength ratio between the gravitational and electrostatic interactions, Γ = (mgσ)/(e{sup 2}/Dσ), where m is the mass per particle, e is the electron's charge and g is the gravitational acceleration value. A semi-infinite simulation cell was used with dimensions L{sub x} ≈ L{sub y} and L{sub z} = 5L{sub x}, where L{sub x}, L{sub y}, and L{sub z} are the box dimensions in Cartesian coordinates, and the gravitational force acts along the z-direction. Sedimentation effects were studied by looking at every layer formed by the CHSC along the gravitational field. By increasing Γ, particles tend to get more packed at each layer and to arrange in local domains with an orientational ordering along two perpendicular axis, a feature not observed in the uncharged system with the same hard-body geometry. This type of arrangement, known as tetratic phase, has been observed in two-dimensional systems of hard-rectangles and rounded hard-squares. In this way, the coupling of gravitational and electric interactions in the CHSC system induces the arrangement of particles in layers, with the formation of quasi-two dimensional tetratic phases near the surface.
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.)
Simulation of a Marine Controllable Phase-Compounding Excitation System
Institute of Scientific and Technical Information of China (English)
GAO Hai-bo; WU Fu-yuan; CHEN Hui
2007-01-01
We first established the mathematical model of a marine synchronous generator and its controllable phase-compounding excitation system, and then made a simulation sketch with Saber simulation software. According to "Regulations for the Construction and Classification of Ocean-going Steel Ships" of the China Classification Society (CCS) , some experiments are designed to verify the property of the simulation model. Some experiments, such as free start, load sudden on and off, have been completed, and the result indicates that the model conforms to the requirements of the rules very well. It is qualified for a marine electrical propulsion simulation.
High performance stream computing for particle beam transport simulations
Energy Technology Data Exchange (ETDEWEB)
Appleby, R; Bailey, D; Higham, J; Salt, M [School of Physics and Astronomy, University of Manchester, Oxford Road, Manchester, M13 9PL (United Kingdom)], E-mail: Robert.Appleby@manchester.ac.uk, E-mail: David.Bailey-2@manchester.ac.uk
2008-07-15
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.
High performance stream computing for particle beam transport simulations
Appleby, R.; Bailey, D.; Higham, J.; Salt, M.
2008-07-01
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.
Blast Load Simulator Experiments for Computational Model Validation: Report 2
2017-02-01
O’Daniel, 2016. Blast load simulator experiments for computational model validation – Report 1. ERDC/GSL TR-16-27. Vicksburg, MS: U.S. Army Engineer ...ER D C/ G SL T R- 16 -2 7 Blast Load Simulator Experiments for Computational Model Validation Report 2 G eo te ch ni ca l a nd S tr uc...Approved for public release; distribution is unlimited. The U.S. Army Engineer Research and Development Center (ERDC) solves the nation’s toughest
Computer simulations and the changing face of scientific experimentation
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
Environments for online maritime simulators with cloud computing capabilities
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.
Method for simulating paint mixing on computer monitors
Carabott, Ferdinand; Lewis, Garth; Piehl, Simon
2002-06-01
Computer programs like Adobe Photoshop can generate a mixture of two 'computer' colors by using the Gradient control. However, the resulting colors diverge from the equivalent paint mixtures in both hue and value. This study examines why programs like Photoshop are unable to simulate paint or pigment mixtures, and offers a solution using Photoshops existing tools. The article discusses how a library of colors, simulating paint mixtures, is created from 13 artists' colors. The mixtures can be imported into Photoshop as a color swatch palette of 1248 colors and as 78 continuous or stepped gradient files, all accessed in a new software package, Chromafile.
Urban earthquake simulation of Tokyo metropolis using full K computer
Fujita, Kohei; Ichimura, Tsuyoshi; Hori, Muneo
2016-04-01
Reflecting detailed urban geographic information data to earthquake simulation of cities is expected to improve the reliability of damage estimates for future earthquakes. Such simulations require high resolution computation of large and complex domains and thus fast and scalable finite element solver capable of utilizing supercomputers are needed. Targeting massively parallel scalar supercomputers, we have been developing a fast low-ordered unstructured finite element solver by combining multi-precision arithmetic, multi-grid method, predictors, and techniques for utilizing multi-cores and SIMD units of CPUs. In this talk, I will show the developed method and its scalability/performance on the K computer. Together, I will show some small scale measurement results on Intel Haswell CPU servers for checking performance portability. As an application example, I will show an urban earthquake simulation targeted on a 10 km by 9 km area of central Tokyo with 320 thousand structures. Here the surface ground is modeled by 33 billion elements and 133 billion degrees-of-freedom, and its seismic response is computed using the whole K computer with 82944 compute nodes. The fast and scalable finite element method can be applied to earthquake wave propagation problems through earth crust or elastic/viscoelastic crustal deformation analyses and is expected to be useful for improving resolution of such simulations in the future.
Managing trust in information systems by using computer simulations
Zupančič, Eva
2009-01-01
Human factor is more and more important in new information systems and it should be also taken into consideration when developing new systems. Trust issues, which are tightly tied to human factor, are becoming an important topic in computer science. In this work we research trust in IT systems and present computer-based trust management solutions. After a review of qualitative and quantitative methods for trust management, a precise description of a simulation tool for trust management ana...
Improved Pyrolysis Micro reactor Design via Computational Fluid Dynamics Simulations
2017-05-23
NUMBER (Include area code) 23 May 2017 Briefing Charts 25 April 2017 - 23 May 2017 Improved Pyrolysis Micro-reactor Design via Computational Fluid... PYROLYSIS MICRO-REACTOR DESIGN VIA COMPUTATIONAL FLUID DYNAMICS SIMULATIONS Ghanshyam L. Vaghjiani* DISTRIBUTION A: Approved for public release...Approved for public release, distribution unlimited. PA Clearance 17247 Chen-Source (>240 references from SciFinder as of 5/1/17): Flash pyrolysis
Towards accurate quantum simulations of large systems with small computers.
Yang, Yonggang
2017-01-24
Numerical simulations are important for many systems. In particular, various standard computer programs have been developed for solving the quantum Schrödinger equations. However, the accuracy of these calculations is limited by computer capabilities. In this work, an iterative method is introduced to enhance the accuracy of these numerical calculations, which is otherwise prohibitive by conventional methods. The method is easily implementable and general for many systems.
Computer Simulation of Musical Evolution: A Lesson from Whales
Jan, Steven
2015-01-01
Simulating musical creativity using computers needs more than the ability to devise elegant computational implementations of sophisticated algorithms. It requires, ﬁrstly, an understanding of what phenomena might be regarded as music; and, secondly, an understanding of the nature of such phenomena — including their evolutionary history, their recursive-hierarchic structure, and the mechanisms by which they are transmitted within cultural groups. To understand these issues it is fruitful to co...
Towards accurate quantum simulations of large systems with small computers
Yang, Yonggang
2017-01-01
Numerical simulations are important for many systems. In particular, various standard computer programs have been developed for solving the quantum Schrödinger equations. However, the accuracy of these calculations is limited by computer capabilities. In this work, an iterative method is introduced to enhance the accuracy of these numerical calculations, which is otherwise prohibitive by conventional methods. The method is easily implementable and general for many systems. PMID:28117366
Computational Simulation of Explosively Generated Pulsed Power Devices
2013-03-21
physics models for magnetohydrodynamics, and ALEGRA-HEDP, which builds on the ALEGRA- MHD version and adds physics model that allow simulation of high energy...development, there is a genuine need for more theory-based research and an accurate computer modeling capability. One of the programs that has done...developed by Sandia National Laboratories, to develop a computer model that can accurately represent an FEG and that can be verified against existing
Molecular simulation studies of reversed-phase liquid chromatography.
Lindsey, Rebecca K; Rafferty, Jake L; Eggimann, Becky L; Siepmann, J Ilja; Schure, Mark R
2013-04-26
Over the past 20 years, molecular simulation methods have been applied to the modeling of reversed-phase liquid chromatography (RPLC). The purpose of these simulations was to provide a molecular-level understanding of: (i) the structure and dynamics of the bonded phase and its interface with the mobile phase, (ii) the interactions of analytes with the bonded phase, and (iii) the retention mechanism for different analytes. However, the investigation of chromatographic systems poses significant challenges for simulations with respect to the accuracy of the molecular mechanics force fields and the efficiency of the sampling algorithms. This review discusses a number of aspects concerning molecular simulation studies of RPLC systems including the historical development of the subject, the background needed to understand the two prevalent techniques, molecular dynamics (MD) and Monte Carlo (MC) methods, and the wealth of insight provided by these simulations. Examples from the literature employing MD approaches and from the authors' laboratory using MC methods are discussed. The former can provide information on chain dynamics and transport properties, whereas the latter techniques are uniquely suited for the investigation of phase and sorption equilibria that underly RPLC retention, and both can be used to elucidate the bonded-chain conformations and solvent distributions. Copyright © 2013 Elsevier B.V. All rights reserved.
Adaptive, multi-domain techniques for two-phase flow computations
Uzgoren, Eray
Computations of immiscible two-phase flows deal with interfaces that may move and/or deform in response to the dynamics within the flow field. As interfaces move, one needs to compute the new shapes and the associated geometric information (such as curvatures, normals, and projected areas/volumes) as part of the solution. The present study employs the immersed boundary method (IBM), which uses marker points to track the interface location and continuous interface methods to model interfacial conditions. The large transport property jumps across the interface, and the considerations of the mechanism including convection, diffusion, pressure, body force and surface tension create multiple time/length scales. The resulting computational stiffness and moving boundaries make numerical simulations computationally expensive in three-dimensions, even when the computations are performed on adaptively refined 3D Cartesian grids that efficiently resolve the length scales. A domain decomposition method and a partitioning strategy for adaptively refined grids are developed to enable parallel computing capabilities. Specifically, the approach consists of multilevel additive Schwarz method for domain decomposition, and Hilbert space filling curve ordering for partitioning. The issues related to load balancing, communication and computation, convergence rate of the iterative solver in regard to grid size and the number of sub-domains and interface shape deformation, are studied. Moreover, interfacial representation using marker points is extended to model complex solid geometries for single and two-phase flows. Developed model is validated using a benchmark test case, flow over a cylinder. Furthermore, overall algorithm is employed to further investigate steady and unsteady behavior of the liquid plug problem. Finally, capability of handling two-phase flow simulations in complex solid geometries is demonstrated by studying the effect of bifurcation point on the liquid plug, which
Development of computer simulator for coal liquefaction reactor
Energy Technology Data Exchange (ETDEWEB)
Yawata, T.; Kobayashi, M.; Ohi, S.; Itho, H.; Hiraide, M. [Nippon Oil Co., Ltd., Tokyo (Japan)
1995-12-31
The computer simulator for a coal liquefaction reactor is a useful engineering tool to analyse the data of such reactors. The authors applied this technique to a reactor in the NEDOL process to predict the performance of the reactor, and to assist in the design of a reactor for demonstration plant. The development program of the simulator and its utilization plan are discussed. 4 figs., 2 tabs.
Computer Simulation of Influence of Sedimentation on Rapid Coagulation
Institute of Scientific and Technical Information of China (English)
孙祉伟; 陈致英
2003-01-01
A computer simulation was performed to explore the features and effects of sedimentation on rapid coagulation.To estimate the accumulated influence of gravity on coagulation for dispersions, a sedimentation influence ratio is defined. Some factors possibly related to the influence of sedimentation were considered in the simulation and analysed by comparing the size distribution of aggregates, the change in collision number, and coagulation rates at different gravity levels (0 g, 1 g and more with g being the gravitational constant).
Implicit Finite-Size Effects in Computer Simulations
Denton, A. R.; EGELSTAFF, P. A.
1997-01-01
The influence of periodic boundary conditions (implicit finite-size effects) on the anisotropy of pair correlations in computer simulations is studied for a dense classical fluid of pair-wise interacting krypton atoms near the triple point. Molecular dynamics simulation data for the pair distribution function of N-particle systems, as a function of radial distance, polar angle, and azimuthal angle are compared directly with corresponding theoretical predictions [L. R. Pratt and S. W. Haan, J....
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.
A CUDA based parallel multi-phase oil reservoir simulator
Zaza, Ayham; Awotunde, Abeeb A.; Fairag, Faisal A.; Al-Mouhamed, Mayez A.
2016-09-01
Forward Reservoir Simulation (FRS) is a challenging process that models fluid flow and mass transfer in porous media to draw conclusions about the behavior of certain flow variables and well responses. Besides the operational cost associated with matrix assembly, FRS repeatedly solves huge and computationally expensive sparse, ill-conditioned and unsymmetrical linear system. Moreover, as the computation for practical reservoir dimensions lasts for long times, speeding up the process by taking advantage of parallel platforms is indispensable. By considering the state of art advances in massively parallel computing and the accompanying parallel architecture, this work aims primarily at developing a CUDA-based parallel simulator for oil reservoir. In addition to the initial reported 33 times speed gain compared to the serial version, running experiments showed that BiCGSTAB is a stable and fast solver which could be incorporated in such simulations instead of the more expensive, storage demanding and usually utilized GMRES.
National Aeronautics and Space Administration — There are significant logistical barriers to entry-level high performance computing (HPC) modeling and simulation (M&S) users. Performing large-scale, massively...
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
Takahashi, Ryohei; Mamori, Hiroya; Yamamoto, Makoto
2016-02-01
A numerical method for simulating gas-liquid-solid three-phase flows based on the moving particle semi-implicit (MPS) approach was developed in this study. Computational instability often occurs in multiphase flow simulations if the deformations of the free surfaces between different phases are large, among other reasons. To avoid this instability, this paper proposes an improved coupling procedure between different phases in which the physical quantities of particles in different phases are calculated independently. We performed numerical tests on two illustrative problems: a dam-break problem and a solid-sphere impingement problem. The former problem is a gas-liquid two-phase problem, and the latter is a gas-liquid-solid three-phase problem. The computational results agree reasonably well with the experimental results. Thus, we confirmed that the proposed MPS method reproduces the interaction between different phases without inducing numerical instability.
Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation
Saad, Ahmed Mohamed
2016-05-01
In this study, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell-centered finite difference method with a non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational time by MC simulations from hours to seconds. In addition, the reweighting and reconstruction scheme, which was originally designed to work with the LJ potential model, is extended to work with a potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical ensemble and the Gibbs ensemble, respectively. Comparing the simulation results with the experimental data showed that the implemented model has an excellent fit outperforming the standard LJ model. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and Darcy scale in reservoir simulators. This leads to an accurate description of the thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.
Dynamic computer simulation of the Fort St. Vrain steam turbines
Energy Technology Data Exchange (ETDEWEB)
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.
An introduction to statistical computing a simulation-based approach
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
A computer simulation study of tilted smectic mesophases
Energy Technology Data Exchange (ETDEWEB)
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
Direct Phase Equilibrium Simulations of NIPAM Oligomers in Water.
Boţan, Vitalie; Ustach, Vincent; Faller, Roland; Leonhard, Kai
2016-04-07
NIPAM (N-isopropylacrylamide)-based polymers in water show many interesting properties in experiments, including a lower critical solution temperature (LCST) at 305 K and a conformational transition of single chains at the same temperature. The results of many simulation studies suggest that standard force fields are able to describe the conformational transition and the phase equilibrium well. We show by performing long molecular dynamics simulations of the direct liquid-liquid phase equilibrium of NIPAM trimers in water that there is no LCST in the expected temperature range for any of the force fields under study. The results show further that the relaxation times of single-chain simulations are considerably longer than anticipated. Conformational transitions of single polymers can therefore not necessarily be used as surrogates for a real phase transition.
Computational Fluid Dynamics Simulation of Fluidized Bed Polymerization Reactors
Energy Technology Data Exchange (ETDEWEB)
Fan, Rong [Iowa State Univ., Ames, IA (United States)
2006-01-01
Fluidized beds (FB) reactors are widely used in the polymerization industry due to their superior heat- and mass-transfer characteristics. Nevertheless, problems associated with local overheating of polymer particles and excessive agglomeration leading to FB reactors defluidization still persist and limit the range of operating temperatures that can be safely achieved in plant-scale reactors. Many people have been worked on the modeling of FB polymerization reactors, and quite a few models are available in the open literature, such as the well-mixed model developed by McAuley, Talbot, and Harris (1994), the constant bubble size model (Choi and Ray, 1985) and the heterogeneous three phase model (Fernandes and Lona, 2002). Most these research works focus on the kinetic aspects, but from industrial viewpoint, the behavior of FB reactors should be modeled by considering the particle and fluid dynamics in the reactor. Computational fluid dynamics (CFD) is a powerful tool for understanding the effect of fluid dynamics on chemical reactor performance. For single-phase flows, CFD models for turbulent reacting flows are now well understood and routinely applied to investigate complex flows with detailed chemistry. For multiphase flows, the state-of-the-art in CFD models is changing rapidly and it is now possible to predict reasonably well the flow characteristics of gas-solid FB reactors with mono-dispersed, non-cohesive solids. This thesis is organized into seven chapters. In Chapter 2, an overview of fluidized bed polymerization reactors is given, and a simplified two-site kinetic mechanism are discussed. Some basic theories used in our work are given in detail in Chapter 3. First, the governing equations and other constitutive equations for the multi-fluid model are summarized, and the kinetic theory for describing the solid stress tensor is discussed. The detailed derivation of DQMOM for the population balance equation is given as the second section. In this section
Technology computer aided design simulation for VLSI MOSFET
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
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...
Simulation study of phase retrieval for hard X-ray in-line phase contrast imaging
Institute of Scientific and Technical Information of China (English)
YU; Bin; PENG; Xiang; TIAN; Jindong; NIU; Hanben; DIAO; Luh
2005-01-01
Two algorithms for the phase retrieval of hard X-ray in-line phase contrast imaging are presented. One is referred to as Iterative Angular Spectrum Algorithm (IASA) and the other is a hybrid algorithm that combines IASA with TIE (transport of intensity equation). The calculations of the algorithms are based on free space propagation of the angular spectrum. The new approaches are demonstrated with numerical simulations. Comparisons with other phase retrieval algorithms are also performed. It is shown that the phase retrieval method combining the IASA and TIE is a promising technique for the application of hard X-ray phase contrast imaging.
Simulating confined swirling gas-solid two phase jet
Institute of Scientific and Technical Information of China (English)
金晗辉; 夏钧; 樊建人; 岑可法
2002-01-01
A k-ε-kp multi-fluid model was used to simulate confined swirling gas-solid two phase jet comprised of particle-laden flow from a center tube and a swirling air stream entering the test section from the coaxial annular. After considering the drag force between the two phases and gravity, a series of numerical simulations of the two-phase flow of 30μm, 45μm, 60μm diameter particles were performed on a x×r＝50×50 mesh grid respectively. The results showed that the k-ε-kp multi-fluid model can be applied to predict moderate swirling multi-phase flow. When the particle diameter is large, the collision of the particles with the wall will influence the prediction accuracy. The bigger the diameter of the particles, the stronger the collision with the wall, and the more obvious the difference between measured and calculated results.
Multi-threaded, discrete event simulation of distributed computing systems
Legrand, Iosif; MONARC Collaboration
2001-10-01
The LHC experiments have envisaged computing systems of unprecedented complexity, for which is necessary to provide a realistic description and modeling of data access patterns, and of many jobs running concurrently on large scale distributed systems and exchanging very large amounts of data. A process oriented approach for discrete event simulation is well suited to describe various activities running concurrently, as well the stochastic arrival patterns specific for such type of simulation. Threaded objects or "Active Objects" can provide a natural way to map the specific behaviour of distributed data processing into the simulation program. The simulation tool developed within MONARC is based on Java (TM) technology which provides adequate tools for developing a flexible and distributed process oriented simulation. Proper graphics tools, and ways to analyze data interactively, are essential in any simulation project. The design elements, status and features of the MONARC simulation tool are presented. The program allows realistic modeling of complex data access patterns by multiple concurrent users in large scale computing systems in a wide range of possible architectures, from centralized to highly distributed. Comparison between queuing theory and realistic client-server measurements is also presented.
Interval sampling methods and measurement error: a computer simulation.
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.
Instructional Advice, Time Advice and Learning Questions in Computer Simulations
Rey, Gunter Daniel
2010-01-01
Undergraduate students (N = 97) used an introductory text and a computer simulation to learn fundamental concepts about statistical analyses (e.g., analysis of variance, regression analysis and General Linear Model). Each learner was randomly assigned to one cell of a 2 (with or without instructional advice) x 2 (with or without time advice) x 2…
Time Advice and Learning Questions in Computer Simulations
Rey, Gunter Daniel
2011-01-01
Students (N = 101) used an introductory text and a computer simulation to learn fundamental concepts about statistical analyses (e.g., analysis of variance, regression analysis and General Linear Model). Each learner was randomly assigned to one cell of a 2 (with or without time advice) x 3 (with learning questions and corrective feedback, with…
Atomic Force Microscopy and Real Atomic Resolution. Simple Computer Simulations
Koutsos, V.; Manias, E.; Brinke, G. ten; Hadziioannou, G.
1994-01-01
Using a simple computer simulation for AFM imaging in the contact mode, pictures with true and false atomic resolution are demonstrated. The surface probed consists of two f.c.c. (111) planes and an atomic vacancy is introduced in the upper layer. Changing the size of the effective tip and its
Advanced Simulation and Computing Co-Design Strategy
Energy Technology Data Exchange (ETDEWEB)
Ang, James A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hoang, Thuc T. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kelly, Suzanne M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); McPherson, Allen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Neely, Rob [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2015-11-01
This ASC Co-design Strategy lays out the full continuum and components of the co-design process, based on what we have experienced thus far and what we wish to do more in the future to meet the program’s mission of providing high performance computing (HPC) and simulation capabilities for NNSA to carry out its stockpile stewardship responsibility.
Solving wood chip transport problems with computer simulation.
Dennis P. Bradley; Sharon A. Winsauer
1976-01-01
Efficient chip transport operations are difficult to achieve due to frequent and often unpredictable changes in distance to market, chipping rate, time spent at the mill, and equipment costs. This paper describes a computer simulation model that allows a logger to design an efficient transport system in response to these changing factors.
Teaching Objectives of a Simulation Game for Computer Security
2007-11-02
established market and the growing acceptance of computer games in education (Kirriemuir, 2002). The game will simulate a range of scenarios involving...43-58. Sterne, D.F., (1991). On the Buzzword “Security Policy”, Proceedings of the IEEE Symposium on Reseach in Secu- rity and Privacy, Oakland, CA
Improving a Computer Networks Course Using the Partov Simulation Engine
Momeni, B.; Kharrazi, M.
2012-01-01
Computer networks courses are hard to teach as there are many details in the protocols and techniques involved that are difficult to grasp. Employing programming assignments as part of the course helps students to obtain a better understanding and gain further insight into the theoretical lectures. In this paper, the Partov simulation engine and…
Computer simulation of Wheeler's delayed-choice experiment with photons
Zhao, S.; Yuan, S.; De Raedt, H.; Michielsen, K.
2008-01-01
We present a computer simulation model of Wheeler's delayed-choice experiment that is a one-to-one copy of an experiment reported recently (Jacques V. et al., Science, 315 (2007) 966). The model is solely based on experimental facts, satisfies Einstein's criterion of local causality and does not rel
Sensitivity analysis of airport noise using computer simulation
Directory of Open Access Journals (Sweden)
Flavio Maldonado Bentes
2011-09-01
Full Text Available This paper presents the method to analyze the sensitivity of airport noise using computer simulation with the aid of Integrated Noise Model 7.0. The technique serves to support the selection of alternatives to better control aircraft noise, since it helps identify which areas of the noise curves experienced greater variation from changes in aircraft movements at a particular airport.
The acoustical history of Hagia Sophia revived through computer simulations
DEFF Research Database (Denmark)
Rindel, Jens Holger; Weitze, C.A.; Christensen, Claus Lynge
2002-01-01
The present paper deals with acoustic computer simulations of Hagia Sophia, which is characterized not only by being one of the largest worship buildings in the world, but also by – in its 1500 year history – having served three purposes: as a church, as a mosque and today as a museum...
Improving a Computer Networks Course Using the Partov Simulation Engine
Momeni, B.; Kharrazi, M.
2012-01-01
Computer networks courses are hard to teach as there are many details in the protocols and techniques involved that are difficult to grasp. Employing programming assignments as part of the course helps students to obtain a better understanding and gain further insight into the theoretical lectures. In this paper, the Partov simulation engine and…
Computer Simulation and Laboratory Work in the Teaching of Mechanics.
Borghi, L.; And Others
1987-01-01
Describes a teaching strategy designed to help high school students learn mechanics by involving them in simple experimental work, observing didactic films, running computer simulations, and executing more complex laboratory experiments. Provides an example of the strategy as it is applied to the topic of projectile motion. (TW)
Computational Simulations of Magnetic Particle Capture in Arterial Flows
Haverkort, J.W.; Kenjeres, S.; Kleijn, C.R.
2009-01-01
The aim of Magnetic Drug Targeting (MDT) is to concentrate drugs, attached to magnetic particles, in a specific part of the human body by applying a magnetic field. Computational simulations are performed of blood flow and magnetic particle motion in a left coronary artery and a carotid artery, usin
Graphical Visualization on Computational Simulation Using Shared Memory
Lima, A. B.; Correa, Eberth
2014-03-01
The Shared Memory technique is a powerful tool for parallelizing computer codes. In particular it can be used to visualize the results "on the fly" without stop running the simulation. In this presentation we discuss and show how to use the technique conjugated with a visualization code using openGL.
Development of computer simulation models for pedestrian subsystem impact tests
Kant, R.; Konosu, A.; Ishikawa, H.
2000-01-01
The European Enhanced Vehicle-safety Committee (EEVC/WG10 and WG17) proposed three component subsystem tests for cars to assess pedestrian protection. The objective of this study is to develop computer simulation models of the EEVC pedestrian subsystem tests. These models are available to develop a
Social Choice in a Computer-Assisted Simulation
Thavikulwat, Precha
2009-01-01
Pursuing a line of inquiry suggested by Crookall, Martin, Saunders, and Coote, the author applied, within the framework of design science, an optimal-design approach to incorporate into a computer-assisted simulation two innovative social choice processes: the multiple period double auction and continuous voting. Expectations that the…
Computational Simulation of a Water-Cooled Heat Pump
Bozarth, Duane
2008-01-01
A Fortran-language computer program for simulating the operation of a water-cooled vapor-compression heat pump in any orientation with respect to gravity has been developed by modifying a prior general-purpose heat-pump design code used at Oak Ridge National Laboratory (ORNL).
Modeling and Computer Simulation of AN Insurance Policy:
Acharyya, Muktish; Acharyya, Ajanta Bhowal
We have developed a model for a life-insurance policy. In this model, the net gain is calculated by computer simulation for a particular type of lifetime distribution function. We observed that the net gain becomes maximum for a particular value of upper age for last premium.
Computational Fluid Dynamics and Building Energy Performance Simulation
DEFF Research Database (Denmark)
Nielsen, Peter Vilhelm; Tryggvason, T.
1998-01-01
An interconnection between a building energy performance simulation program and a Computational Fluid Dynamics program (CFD) for room air distribution will be introduced for improvement of the predictions of both the energy consumption and the indoor environment. The building energy performance...
Computer simulation of Wheeler's delayed-choice experiment with photons
Zhao, S.; Yuan, S.; De Raedt, H.; Michielsen, K.
We present a computer simulation model of Wheeler's delayed-choice experiment that is a one-to-one copy of an experiment reported recently (Jacques V. et al., Science, 315 (2007) 966). The model is solely based on experimental facts, satisfies Einstein's criterion of local causality and does not
The acoustical history of Hagia Sophia revived through computer simulations
DEFF Research Database (Denmark)
Rindel, Jens Holger; Weitze, C.A.; Christensen, Claus Lynge;
2002-01-01
The present paper deals with acoustic computer simulations of Hagia Sophia, which is characterized not only by being one of the largest worship buildings in the world, but also by – in its 1500 year history – having served three purposes: as a church, as a mosque and today as a museum...
Pedagogical Approaches to Teaching with Computer Simulations in Science Education
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
Biology Students Building Computer Simulations Using StarLogo TNG
Smith, V. Anne; Duncan, Ishbel
2011-01-01
Confidence is an important issue for biology students in handling computational concepts. This paper describes a practical in which honours-level bioscience students simulate complex animal behaviour using StarLogo TNG, a freely-available graphical programming environment. The practical consists of two sessions, the first of which guides students…
Identifying equivalent sound sources from aeroacoustic simulations using a numerical phased array
Pignier, Nicolas J.; O'Reilly, Ciarán J.; Boij, Susann
2017-04-01
An application of phased array methods to numerical data is presented, aimed at identifying equivalent flow sound sources from aeroacoustic simulations. Based on phased array data extracted from compressible flow simulations, sound source strengths are computed on a set of points in the source region using phased array techniques assuming monopole propagation. Two phased array techniques are used to compute the source strengths: an approach using a Moore-Penrose pseudo-inverse and a beamforming approach using dual linear programming (dual-LP) deconvolution. The first approach gives a model of correlated sources for the acoustic field generated from the flow expressed in a matrix of cross- and auto-power spectral values, whereas the second approach results in a model of uncorrelated sources expressed in a vector of auto-power spectral values. The accuracy of the equivalent source model is estimated by computing the acoustic spectrum at a far-field observer. The approach is tested first on an analytical case with known point sources. It is then applied to the example of the flow around a submerged air inlet. The far-field spectra obtained from the source models for two different flow conditions are in good agreement with the spectra obtained with a Ffowcs Williams-Hawkings integral, showing the accuracy of the source model from the observer's standpoint. Various configurations for the phased array and for the sources are used. The dual-LP beamforming approach shows better robustness to changes in the number of probes and sources than the pseudo-inverse approach. The good results obtained with this simulation case demonstrate the potential of the phased array approach as a modelling tool for aeroacoustic simulations.
Takinoue, Masahiro; Kiga, Daisuke; Shohda, Koh-Ichiroh; Suyama, Akira
2008-10-01
Autonomous DNA computers have been attracting much attention because of their ability to integrate into living cells. Autonomous DNA computers can process information through DNA molecules and their molecular reactions. We have already proposed an idea of an autonomous molecular computer with high computational ability, which is now named Reverse-transcription-and-TRanscription-based Autonomous Computing System (RTRACS). In this study, we first report an experimental demonstration of a basic computation element of RTRACS and a mathematical modeling method for RTRACS. We focus on an AND gate, which produces an output RNA molecule only when two input RNA molecules exist, because it is one of the most basic computation elements in RTRACS. Experimental results demonstrated that the basic computation element worked as designed. In addition, its behaviors were analyzed using a mathematical model describing the molecular reactions of the RTRACS computation elements. A comparison between experiments and simulations confirmed the validity of the mathematical modeling method. This study will accelerate construction of various kinds of computation elements and computational circuits of RTRACS, and thus advance the research on autonomous DNA computers.
Simulating the Immune Response on a Distributed Parallel Computer
Castiglione, F.; Bernaschi, M.; Succi, S.
The application of ideas and methods of statistical mechanics to problems of biological relevance is one of the most promising frontiers of theoretical and computational mathematical physics.1,2 Among others, the computer simulation of the immune system dynamics stands out as one of the prominent candidates for this type of investigations. In the recent years immunological research has been drawing increasing benefits from the resort to advanced mathematical modeling on modern computers.3,4 Among others, Cellular Automata (CA), i.e., fully discrete dynamical systems evolving according to boolean laws, appear to be extremely well suited to computer simulation of biological systems.5 A prominent example of immunological CA is represented by the Celada-Seiden automaton, that has proven capable of providing several new insights into the dynamics of the immune system response. To date, the Celada-Seiden automaton was not in a position to exploit the impressive advances of computer technology, and notably parallel processing, simply because no parallel version of this automaton had been developed yet. In this paper we fill this gap and describe a parallel version of the Celada-Seiden cellular automaton aimed at simulating the dynamic response of the immune system. Details on the parallel implementation as well as performance data on the IBM SP2 parallel platform are presented and commented on.
Symbolic Quantum Computation Simulation in SymPy
Cugini, Addison; Curry, Matt; Granger, Brian
2010-10-01
Quantum computing is an emerging field which aims to use quantum mechanics to solve difficult computational problems with greater efficiency than on a classical computer. There is a need to create software that i) helps newcomers to learn the field, ii) enables practitioners to design and simulate quantum circuits and iii) provides an open foundation for further research in the field. Towards these ends we have created a package, in the open-source symbolic computation library SymPy, that simulates the quantum circuit model of quantum computation using Dirac notation. This framework builds on the extant powerful symbolic capabilities of SymPy to preform its simulations in a fully symbolic manner. We use object oriented design to abstract circuits as ordered collections of quantum gate and qbit objects. The gate objects can either be applied directly to the qbit objects or be represented as matrices in different bases. The package is also capable of performing the quantum Fourier transform and Shor's algorithm. A notion of measurement is made possible through the use of a non-commutative gate object. In this talk, we describe the software and show examples of quantum circuits on single and multi qbit states that involve common algorithms, gates and measurements.
SPINET: A Parallel Computing Approach to Spine Simulations
Directory of Open Access Journals (Sweden)
Peter G. Kropf
1996-01-01
Full Text Available Research in scientitic programming enables us to realize more and more complex applications, and on the other hand, application-driven demands on computing methods and power are continuously growing. Therefore, interdisciplinary approaches become more widely used. The interdisciplinary SPINET project presented in this article applies modern scientific computing tools to biomechanical simulations: parallel computing and symbolic and modern functional programming. The target application is the human spine. Simulations of the spine help us to investigate and better understand the mechanisms of back pain and spinal injury. Two approaches have been used: the first uses the finite element method for high-performance simulations of static biomechanical models, and the second generates a simulation developmenttool for experimenting with different dynamic models. A finite element program for static analysis has been parallelized for the MUSIC machine. To solve the sparse system of linear equations, a conjugate gradient solver (iterative method and a frontal solver (direct method have been implemented. The preprocessor required for the frontal solver is written in the modern functional programming language SML, the solver itself in C, thus exploiting the characteristic advantages of both functional and imperative programming. The speedup analysis of both solvers show very satisfactory results for this irregular problem. A mixed symbolic-numeric environment for rigid body system simulations is presented. It automatically generates C code from a problem specification expressed by the Lagrange formalism using Maple.
Bibliography for Verification and Validation in Computational Simulations
Energy Technology Data Exchange (ETDEWEB)
Oberkampf, W.L.
1998-10-01
A bibliography has been compiled dealing with the verification and validation of computational simulations. The references listed in this bibliography are concentrated in the field of computational fluid dynamics (CFD). However, references from the following fields are also included: operations research, heat transfer, solid dynamics, software quality assurance, software accreditation, military systems, and nuclear reactor safety. This bibliography, containing 221 references, is not meant to be comprehensive. It was compiled during the last ten years in response to the author's interest and research in the methodology for verification and validation. The emphasis in the bibliography is in the following areas: philosophy of science underpinnings, development of terminology and methodology, high accuracy solutions for CFD verification, experimental datasets for CFD validation, and the statistical quantification of model validation. This bibliography should provide a starting point for individual researchers in many fields of computational simulation in science and engineering.
The DYNAMO Simulation Language--An Alternate Approach to Computer Science Education.
Bronson, Richard
1986-01-01
Suggests the use of computer simulation of continuous systems as a problem solving approach to computer languages. Outlines the procedures that the system dynamics approach employs in computer simulations. Explains the advantages of the special purpose language, DYNAMO. (ML)
Simulation of emission tomography using grid middleware for distributed computing.
Thomason, M G; Longton, R F; Gregor, J; Smith, G T; Hutson, R K
2004-09-01
SimSET is Monte Carlo simulation software for emission tomography. This paper describes a simple but effective scheme for parallel execution of SimSET using NetSolve, a client-server system for distributed computation. NetSolve (version 1.4.1) is "grid middleware" which enables a user (the client) to run specific computations remotely and simultaneously on a grid of networked computers (the servers). Since the servers do not have to be identical machines, computation may take place in a heterogeneous environment. To take advantage of diversity in machines and their workloads, a client-side scheduler was implemented for the Monte Carlo simulation. The scheduler partitions the total decay events by taking into account the inherent compute-speeds and recent average workloads, i.e., the scheduler assigns more decay events to processors expected to give faster service and fewer decay events to those expected to give slower service. When compute-speeds and sustained workloads are taken into account, the speed-up is essentially linear in the number of equivalent "maximum-service" processors. One modification in the SimSET code (version 2.6.2.3) was made to ensure that the total number of decay events specified by the user is maintained in the distributed simulation. No other modifications in the standard SimSET code were made. Each processor runs complete SimSET code for its assignment of decay events, independently of others running simultaneously. Empirical results are reported for simulation of a clinical-quality lung perfusion study.
Computational studies of competing phases in model Hamiltonians
Jiang, Mi
Model Hamiltonians play an important role in our understanding of both quantum and classical systems, such as strongly correlated unconventional superconductivity, quantum magnetism, non-fermi liquid heavy fermion materials and classical magnetic phase transitions. The central problem is how models with many degrees of freedom choose between competing ground states, e.g. magnetic, superconducting, metallic, insulating as the degree of thermal and quantum fluctuations is varied. This dissertation focuses on the numerical investigation of several important model Hamiltonians. Specifically, we used the determinant Quantum Monte Carlo (DQMC) to study three Hubbard-like models: the Fermi-Hubbard model with two regions of different interaction strength, the Fermi-Hubbard model with a spin-dependent band structure, and the related periodic Anderson model (PAM). The first model used was to explore inter-penetration of metallic and Mott insulator physics across a Metal-Mott Insulator interface by computing the magnetic properties and spectral functions. As a minimal model of a half metallic magnet, the second model was used to explore the impact of on-site Hubbard interaction U, finite temperature, and an external (Zeeman) magnetic field on a bilayer tight-binding model with spin-dependent hybridization. We use PAM to study the Knight shift anomaly in heavy fermion materials found in Nuclear magnetic resonance (NMR) experiments and confirm several predictions of the two-fluid theory accounting for the anomaly. Another application of the Hubbard model described in this dissertation is the investigation on the effects of spin-dependent disorder on s-wave superconductors based on the attractive Hubbard model. Here we used the Bogoliubov-de Gennes (BdG) self-consistent approach instead of quantum simulations. The spin-dependent random potential was shown to induce distinct transitions at which the energy gap and average order parameter vanish, generating an intermediate gapless
Directory of Open Access Journals (Sweden)
Nikolić Z.S.
2008-01-01
Full Text Available In this paper we will investigate gravity induced skeletal settling during liquid phase sintering. In this approach skeletal settling will be combined with extrication of some solidphase domains. The main goal will be the need to relate dissolution, diffusion and precipitation phenomena to essential geometric and topological changes of the tungstennickel porous microstructure influenced by differential skeletal settling due to large density difference between tungsten domains and the matrix. This study will be based on domain topology (no shape restriction and control-volume methodology. The microstructural evolution will be simulated by computation of displacement of the center of mass (combined gravity induced settling and random motion and mass transport due to dissolution and precipitation at the interfaces between solid-phase and liquid matrix.
SPS phase control system performance via analytical simulation
Lindsey, W. C.; Kantak, A. V.; Chie, C. M.; Booth, R. W. D.
1979-01-01
A solar power satellite transmission system which incorporates automatic beam forming, steering, and phase control is discussed. The phase control concept centers around the notation of an active retrodirective phased array as a means of pointing the beam to the appropriate spot on Earth. The transmitting antenna (spacetenna) directs the high power beam so that it focuses on the ground-based receiving antenna (rectenna). A combination of analysis and computerized simulation was conducted to determine the far field performance of the reference distribution system, and the beam forming and microwave power generating systems.
Number-Phase Wigner Representation for Efficient Stochastic Simulations
Hush, M R; Hope, J J
2009-01-01
Phase-space representations based on coherent states (P, Q, Wigner) have been successful in the creation of stochastic differential equations (SDEs) for the efficient stochastic simulation of high dimensional quantum systems. However many problems using these techniques remain intractable over long integrations times. We present a number-phase Wigner representation that can be unraveled into SDEs. We demonstrate convergence to the correct solution for an anharmonic oscillator with small dampening for significantly longer than other phase space representations. This process requires an effective sampling of a non-classical probability distribution. We describe and demonstrate a method of achieving this sampling using stochastic weights.
Molecular dynamics simulations of barrier crossings in the condensed phase
den Otter, Wouter K.
1998-01-01
The isomerisation rates of a calix[4]arene in vacuo and in two solvents have been computed by means of molecular dynamics simulations (MD). In MD the equations of classical mechanics are used to calculate the motion of the reacting molecule and the surrounding solvent molecules. Thus, the intricate
Simulating quantum systems on classical computers with matrix product states
Energy Technology Data Exchange (ETDEWEB)
Kleine, Adrian
2010-11-08
In this thesis, the numerical simulation of strongly-interacting many-body quantum-mechanical systems using matrix product states (MPS) is considered. Matrix-Product-States are a novel representation of arbitrary quantum many-body states. Using quantum information theory, it is possible to show that Matrix-Product-States provide a polynomial-sized representation of one-dimensional quantum systems, thus allowing an efficient simulation of one-dimensional quantum system on classical computers. Matrix-Product-States form the conceptual framework of the density-matrix renormalization group (DMRG). After a general introduction in the first chapter of this thesis, the second chapter deals with Matrix-Product-States, focusing on the development of fast and stable algorithms. To obtain algorithms to efficiently calculate ground states, the density-matrix renormalization group is reformulated using the Matrix-Product-States framework. Further, time-dependent problems are considered. Two different algorithms are presented, one based on a Trotter decomposition of the time-evolution operator, the other one on Krylov subspaces. Finally, the evaluation of dynamical spectral functions is discussed, and a correction vector-based method is presented. In the following chapters, the methods presented in the second chapter, are applied to a number of different physical problems. The third chapter deals with the existence of chiral phases in isotropic one-dimensional quantum spin systems. A preceding analytical study based on a mean-field approach indicated the possible existence of those phases in an isotropic Heisenberg model with a frustrating zig-zag interaction and a magnetic field. In this thesis, the existence of the chiral phases is shown numerically by using Matrix-Product-States-based algorithms. In the fourth chapter, we propose an experiment using ultracold atomic gases in optical lattices, which allows a well controlled observation of the spin-charge separation (of
Computer simulation of cellular patterning within the Drosophila pupal eye.
Directory of Open Access Journals (Sweden)
David E Larson
Full Text Available We present a computer simulation and associated experimental validation of assembly of glial-like support cells into the interweaving hexagonal lattice that spans the Drosophila pupal eye. This process of cell movements organizes the ommatidial array into a functional pattern. Unlike earlier simulations that focused on the arrangements of cells within individual ommatidia, here we examine the local movements that lead to large-scale organization of the emerging eye field. Simulations based on our experimental observations of cell adhesion, cell death, and cell movement successfully patterned a tracing of an emerging wild-type pupal eye. Surprisingly, altering cell adhesion had only a mild effect on patterning, contradicting our previous hypothesis that the patterning was primarily the result of preferential adhesion between IRM-class surface proteins. Instead, our simulations highlighted the importance of programmed cell death (PCD as well as a previously unappreciated variable: the expansion of cells' apical surface areas, which promoted rearrangement of neighboring cells. We tested this prediction experimentally by preventing expansion in the apical area of individual cells: patterning was disrupted in a manner predicted by our simulations. Our work demonstrates the value of combining computer simulation with in vivo experiments to uncover novel mechanisms that are perpetuated throughout the eye field. It also demonstrates the utility of the Glazier-Graner-Hogeweg model (GGH for modeling the links between local cellular interactions and emergent properties of developing epithelia as well as predicting unanticipated results in vivo.
Adaptive scapula bone remodeling computational simulation: Relevance to regenerative medicine
Energy Technology Data Exchange (ETDEWEB)
Sharma, Gulshan B., E-mail: gbsharma@ucalgary.ca [Emory University, Department of Radiology and Imaging Sciences, Spine and Orthopaedic Center, Atlanta, Georgia 30329 (United States); University of Pittsburgh, Swanson School of Engineering, Department of Bioengineering, Pittsburgh, Pennsylvania 15213 (United States); University of Calgary, Schulich School of Engineering, Department of Mechanical and Manufacturing Engineering, Calgary, Alberta T2N 1N4 (Canada); Robertson, Douglas D., E-mail: douglas.d.robertson@emory.edu [Emory University, Department of Radiology and Imaging Sciences, Spine and Orthopaedic Center, Atlanta, Georgia 30329 (United States); University of Pittsburgh, Swanson School of Engineering, Department of Bioengineering, Pittsburgh, Pennsylvania 15213 (United States)
2013-07-01
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
NATO Advanced Study Institute on Advances in the Computer Simulations of Liquid Crystals
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.
Computational physics simulation of classical and quantum systems
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...
Energy Technology Data Exchange (ETDEWEB)
Dallaire-Demers, Pierre-Luc
2016-10-07
Quantum computers are the ideal platform for quantum simulations. Given enough coherent operations and qubits, such machines can be leveraged to simulate strongly correlated materials, where intricate quantum effects give rise to counter-intuitive macroscopic phenomena such as high-temperature superconductivity. Many phenomena of strongly correlated materials are encapsulated in the Fermi-Hubbard model. In general, no closed-form solution is known for lattices of more than one spatial dimension, but they can be numerically approximated using cluster methods. To model long-range effects such as order parameters, a powerful method to compute the cluster's Green's function consists in finding its self-energy through a variational principle. As is shown in this thesis, this allows the possibility of studying various phase transitions at finite temperature in the Fermi-Hubbard model. However, a classical cluster solver quickly hits an exponential wall in the memory (or computation time) required to store the computation variables. We show theoretically that the cluster solver can be mapped to a subroutine on a quantum computer whose quantum memory usage scales linearly with the number of orbitals in the simulated cluster and the number of measurements scales quadratically. We also provide a gate decomposition of the cluster Hamiltonian and a simple planar architecture for a quantum simulator that can also be used to simulate more general fermionic systems. We briefly analyze the Trotter-Suzuki errors and estimate the scaling properties of the algorithm for more complex applications. A quantum computer with a few tens of qubits could therefore simulate the thermodynamic properties of complex fermionic lattices inaccessible to classical supercomputers.
Numerical simulation of two-phase flow in offshore environments
Wemmenhove, Rik
2008-01-01
Numerical Simulation of Two-Phase Flow in Offshore Environments Rik Wemmenhove Weather conditions on full sea are often violent, leading to breaking waves and lots of spray and air bubbles. As high and steep waves may lead to severe damage on ships and offshore structures, there is a great need for
Parallel J-W Monte Carlo Simulations of Thermal Phase Changes in Finite-size Systems
Radev, R
2002-01-01
The thermodynamic properties of 59 TeF6 clusters that undergo temperature-driven phase transitions have been calculated with a canonical J-walking Monte Carlo technique. A parallel code for simulations has been developed and optimized on SUN3500 and CRAY-T3E computers. The Lindemann criterion shows that the clusters transform from liquid to solid and then from one solid structure to another in the temperature region 60-130 K.
Nishiura, Daisuke; Furuichi, Mikito; Sakaguchi, Hide
2015-09-01
The computational performance of a smoothed particle hydrodynamics (SPH) simulation is investigated for three types of current shared-memory parallel computer devices: many integrated core (MIC) processors, graphics processing units (GPUs), and multi-core CPUs. We are especially interested in efficient shared-memory allocation methods for each chipset, because the efficient data access patterns differ between compute unified device architecture (CUDA) programming for GPUs and OpenMP programming for MIC processors and multi-core CPUs. We first introduce several parallel implementation techniques for the SPH code, and then examine these on our target computer architectures to determine the most effective algorithms for each processor unit. In addition, we evaluate the effective computing performance and power efficiency of the SPH simulation on each architecture, as these are critical metrics for overall performance in a multi-device environment. In our benchmark test, the GPU is found to produce the best arithmetic performance as a standalone device unit, and gives the most efficient power consumption. The multi-core CPU obtains the most effective computing performance. The computational speed of the MIC processor on Xeon Phi approached that of two Xeon CPUs. This indicates that using MICs is an attractive choice for existing SPH codes on multi-core CPUs parallelized by OpenMP, as it gains computational acceleration without the need for significant changes to the source code.
Directory of Open Access Journals (Sweden)
Mahdi Nabil
2016-01-01
Full Text Available The volume-of-fluid (VOF approach is a mature technique for simulating two-phase flows. However, VOF simulation of phase-change heat transfer is still in its infancy. Multiple closure formulations have been proposed in the literature, each suited to different applications. While these have enabled significant research advances, few implementations are publicly available, actively maintained, or inter-operable. Here, a VOF solver is presented (interThermalPhaseChangeFoam, which incorporates an extensible framework for phase-change heat transfer modeling, enabling simulation of diverse phenomena in a single environment. The solver employs object oriented OpenFOAM library features, including Run-Time-Type-Identification to enable rapid implementation and run-time selection of phase change and surface tension force models. The solver is packaged with multiple phase change and surface tension closure models, adapted and refined from earlier studies. This code has previously been applied to study wavy film condensation, Taylor flow evaporation, nucleate boiling, and dropwise condensation. Tutorial cases are provided for simulation of horizontal film condensation, smooth and wavy falling film condensation, nucleate boiling, and bubble condensation. Validation and grid sensitivity studies, interfacial transport models, effects of spurious currents from surface tension models, effects of artificial heat transfer due to numerical factors, and parallel scaling performance are described in detail in the Supplemental Material (see Appendix A. By incorporating the framework and demonstration cases into a single environment, users can rapidly apply the solver to study phase-change processes of interest.
Cosmic reionization on computers. I. Design and calibration of simulations
Energy Technology Data Exchange (ETDEWEB)
Gnedin, Nickolay Y., E-mail: gnedin@fnal.gov [Particle Astrophysics Center, Fermi National Accelerator Laboratory, Batavia, IL 60510 (United States)
2014-09-20
Cosmic Reionization On Computers is a long-term program of numerical simulations of cosmic reionization. Its goal is to model fully self-consistently (albeit not necessarily from the first principles) all relevant physics, from radiative transfer to gas dynamics and star formation, in simulation volumes of up to 100 comoving Mpc, and with spatial resolution approaching 100 pc in physical units. In this method paper, we describe our numerical method, the design of simulations, and the calibration of numerical parameters. Using several sets (ensembles) of simulations in 20 h {sup –1} Mpc and 40 h {sup –1} Mpc boxes with spatial resolution reaching 125 pc at z = 6, we are able to match the observed galaxy UV luminosity functions at all redshifts between 6 and 10, as well as obtain reasonable agreement with the observational measurements of the Gunn-Peterson optical depth at z < 6.
Computational Fluid Dynamics and Building Energy Performance Simulation
DEFF Research Database (Denmark)
Nielsen, Peter V.; Tryggvason, Tryggvi
An interconnection between a building energy performance simulation program and a Computational Fluid Dynamics program (CFD) for room air distribution will be introduced for improvement of the predictions of both the energy consumption and the indoor environment. The building energy performance...... simulation program requires a detailed description of the energy flow in the air movement which can be obtained by a CFD program. The paper describes an energy consumption calculation in a large building, where the building energy simulation program is modified by CFD predictions of the flow between three...... program and a building energy performance simulation program will improve both the energy consumption data and the prediction of thermal comfort and air quality in a selected area of the building....
Ravenscar Computational Model compliant AADL Simulation on LEON2
Directory of Open Access Journals (Sweden)
Roberto Varona-Gómez
2013-02-01
Full Text Available AADL has been proposed for designing and analyzing SW and HW architectures for real-time mission-critical embedded systems. Although the Behavioral Annex improves its simulation semantics, AADL is a language for analyzing architectures and not for simulating them. AADS-T is an AADL simulation tool that supports the performance analysis of the AADL specification throughout the refinement process from the initial system architecture until the complete, detailed application and execution platform are developed. In this way, AADS-T enables the verification of the initial timing constraints during the complete design process. In this paper we focus on the compatibility of AADS-T with the Ravenscar Computational Model (RCM as part of the TASTE toolset. Its flexibility enables AADS-T to support different processors. In this work we have focused on performing the simulation on a LEON2 processor.
Modeling and simulation for phase coarsening: A comparison with experiment
Wang, K. G.; Glicksman, M. E.; Rajan, K.
2004-06-01
The phase coarsening of precipitates is modeled in the framework of Debye-Hückel theory. The interactions observed among a population of precipitates dispersed throughout a matrix can be described by diffusion screening. The relationship between the maximum particle radius and the volume fraction of the phases is established, and the rate of coarsening is related to the volume fraction and the self-similar particle size distribution. We simulated the dynamics of late-stage phase separation using multiparticle diffusion methods. Experimental measurements on the rates of coarsening of δ' ( Al3 Li) precipitates in binary Al-Li alloys are compared with our results using modeling and simulation. The theoretically predicted particle size distributions and the maximum radius expected for particles in the microstructure agree well with recent experimental results.
Institute of Scientific and Technical Information of China (English)
ZHAO Chong-bin; Thomas POULET; Klaus REGENAUER-LIEB
2015-01-01
In order to simulate the instability phenomenon of a nonaqueous phase liquid (NAPL) dissolution front in a computational model, the intrinsic characteristic length is commonly used to determine the length scale at which the instability of the NAPL dissolution front can be initiated. This will require a huge number of finite elements if a whole NAPL dissolution system is simulated in the computational model. Even though modern supercomputers might be used to tackle this kind of NAPL dissolution problem, it can become prohibitive for commonly-used personal computers to do so. The main purpose of this work is to investigate whether or not the whole NAPL dissolution system of an annular domain can be replaced by a trapezoidal domain, so as to greatly reduce the requirements for computer efforts. The related simulation results have demonstrated that when the NAPL dissolution system under consideration is in a subcritical state, if the dissolution pattern around the entrance of an annulus domain is of interest, then a trapezoidal domain cannot be used to replace an annular domain in the computational simulation of the NAPL dissolution system. However, if the dissolution pattern away from the vicinity of the entrance of an annulus domain is of interest, then a trapezoidal domain can be used to replace an annular domain in the computational simulation of the NAPL dissolution system. When the NAPL dissolution system under consideration is in a supercritical state, a trapezoidal domain cannot be used to replace an annular domain in the computational simulation of the NAPL dissolution system.
Computer Simulation of Ordering and Atom Clustering in Aging Binary Al-Li Alloy
Institute of Scientific and Technical Information of China (English)
LI Xiao-ling; CHEN Zheng; WANG Yong-xin; HU Ming-juan
2004-01-01
Ordering and atom clustering in aging binary Al-Li alloy has been investigated by computer simulation through calculating the long range order (lro.) parameter and composition deviation order parameter from single-site occupation probabilities of Li atom. The results show that when the alloy lies in metastable region in the phase diagram ordering and atom clustering occur simultaneously. As the composition of the alloy increases ordering occurs earlier than atom clustering gradually. When the alloy lies in instable region atom clustering takes place after the congruent ordering completes. It has also been found that the incubation period of the phase transformation is shortened as the composition increases.
Computer Simulation of Ordering and Atom Clustering in Aging Binary AI-Li Alloy
Institute of Scientific and Technical Information of China (English)
LIXiao-ling; CHENZheng; WANGYong-xin; HUMing-juan
2004-01-01
Ordering and atom clustering in aging binary Al-Li alloy has been investigated by computer simulation through calculating the long range order (lro.) parameter and composition deviation order parameter from single-site occupation probabilities of Li atom. The results show that when the alloy lies in metastable region in the phase diagram ordering and atom clustering occur simultaneously. As the composition of the alloy increases ordering occurs earlier than atom clustering gradually. When the alloy lies in instable region atom clustering takes place after the congruent ordering completes. It has also been found that the incubation period of the phase transformation is shortened as the composition increases.
Remote control system for high-perfomance computer simulation of crystal growth by the PFC method
Pavlyuk, Evgeny; Starodumov, Ilya; Osipov, Sergei
2017-04-01
Modeling of crystallization process by the phase field crystal method (PFC) - one of the important directions of modern computational materials science. In this paper, the practical side of the computer simulation of the crystallization process by the PFC method is investigated. To solve problems using this method, it is necessary to use high-performance computing clusters, data storage systems and other often expensive complex computer systems. Access to such resources is often limited, unstable and accompanied by various administrative problems. In addition, the variety of software and settings of different computing clusters sometimes does not allow researchers to use unified program code. There is a need to adapt the program code for each configuration of the computer complex. The practical experience of the authors has shown that the creation of a special control system for computing with the possibility of remote use can greatly simplify the implementation of simulations and increase the performance of scientific research. In current paper we show the principal idea of such a system and justify its efficiency.
Computer Simulations of Polytetrafluoroethylene in the Solid State
Holt, D. B.; Farmer, B. L.; Eby, R. K.; Macturk, K. S.
1996-03-01
Force field parameters (Set I) for fluoropolymers were previously derived from MOPAC AM1 semiempirical data on model molecules. A second set (Set II) was derived from the AM1 results augmented by ab initio calculations. Both sets yield reasonable helical and phase II packing structures for polytetrafluoroethylene (PTFE) chains. However, Set I and Set II differ in the strength of van der Waals interactions, with Set II having deeper potential wells (order of magnitude). To differentiate which parameter set provides a better description of PTFE behavior, molecular dynamics simulations have been performed with Biosym Discover on clusters of PTFE chains which begin in a phase II packing environment. Added to the model are artificial constraints which allow the simulation of thermal expansion without having to define periodic boundary conditions for each specific temperature of interest. The preliminary dynamics simulations indicate that the intra- and intermolecular interactions provided by Set I are too weak. The degree of helical disorder and chain motion are high even at temperatures well below the phase II-phase IV transition temperature (19 C). Set II appears to yield a better description of PTFE in the solid state.
Benjamin, Norman M.; Gill, Tepper; Charles, Mary
1994-01-01
The network control center (NCC) provides scheduling, monitoring, and control of services to the NASA space network. The space network provides tracking and data acquisition services to many low-earth orbiting spacecraft. This report describes the second phase in the development of simulation models for the FCC. Phase one concentrated on the computer systems and interconnecting network.Phase two focuses on the implementation of the network message dialogs and the resources controlled by the NCC. Performance measures were developed along with selected indicators of the NCC's operational effectiveness.The NCC performance indicators were defined in terms of the following: (1) transfer rate, (2) network delay, (3) channel establishment time, (4) line turn around time, (5) availability, (6) reliability, (7) accuracy, (8) maintainability, and (9) security. An NCC internal and external message manual is appended to this report.
Development of magnetron sputtering simulator with GPU parallel computing
Sohn, Ilyoup; Kim, Jihun; Bae, Junkyeong; Lee, Jinpil
2014-12-01
Sputtering devices are widely used in the semiconductor and display panel manufacturing process. Currently, a number of surface treatment applications using magnetron sputtering techniques are being used to improve the efficiency of the sputtering process, through the installation of magnets outside the vacuum chamber. Within the internal space of the low pressure chamber, plasma generated from the combination of a rarefied gas and an electric field is influenced interactively. Since the quality of the sputtering and deposition rate on the substrate is strongly dependent on the multi-physical phenomena of the plasma regime, numerical simulations using PIC-MCC (Particle In Cell, Monte Carlo Collision) should be employed to develop an efficient sputtering device. In this paper, the development of a magnetron sputtering simulator based on the PIC-MCC method and the associated numerical techniques are discussed. To solve the electric field equations in the 2-D Cartesian domain, a Poisson equation solver based on the FDM (Finite Differencing Method) is developed and coupled with the Monte Carlo Collision method to simulate the motion of gas particles influenced by an electric field. The magnetic field created from the permanent magnet installed outside the vacuum chamber is also numerically calculated using Biot-Savart's Law. All numerical methods employed in the present PIC code are validated by comparison with analytical and well-known commercial engineering software results, with all of the results showing good agreement. Finally, the developed PIC-MCC code is parallelized to be suitable for general purpose computing on graphics processing unit (GPGPU) acceleration, so as to reduce the large computation time which is generally required for particle simulations. The efficiency and accuracy of the GPGPU parallelized magnetron sputtering simulator are examined by comparison with the calculated results and computation times from the original serial code. It is found that
Numerical Simulation of Wave Propagation and Phase Transition of Tin under Shock-Wave Loading
Institute of Scientific and Technical Information of China (English)
SONG Hai-Feng; LIU Hai-Feng; ZHANG Guang-Cai; ZHAO Yan-Song
2009-01-01
We undertake a numerical simulation of shock experiments on tin reported in the literature,by using a multiphase equation of state (MEOS) and a multiphase Steinberg Guinan (MSG) constitutive model for tin in the β,γ and liquid phases.In the MSG model,the Bauschinger effect is considered to better describe the unloading behavior.The phase diagram and Hugoniot of tin are calculated by MEOS,and they agree well with the experimental data.Combined with the MEOS and MSG models,hydrodynamic computer simulations are successful in reproducing the measured velocity profile of the shock wave experiment.Moreover,by analyzing the mass fraction contour as well as stress and temperature profiles of each phase for tin,we further discuss the complex behavior of tin under shock-wave loading.
Computational simulations and experimental validation of a furnace brazing process
Energy Technology Data Exchange (ETDEWEB)
Hosking, F.M.; Gianoulakis, S.E.; Malizia, L.A.
1998-12-31
Modeling of a furnace brazing process is described. The computational tools predict the thermal response of loaded hardware in a hydrogen brazing furnace to programmed furnace profiles. Experiments were conducted to validate the model and resolve computational uncertainties. Critical boundary conditions that affect materials and processing response to the furnace environment were determined. {open_quotes}Global{close_quotes} and local issues (i.e., at the furnace/hardware and joint levels, respectively) are discussed. The ability to accurately simulate and control furnace conditions is examined.
Massively Parallel Phase-Field Simulations for Ternary Eutectic Directional Solidification
Bauer, Martin; Steinmetz, Philipp; Jainta, Marcus; Berghoff, Marco; Schornbaum, Florian; Godenschwager, Christian; Köstler, Harald; Nestler, Britta; Rüde, Ulrich
2015-01-01
Microstructures forming during ternary eutectic directional solidification processes have significant influence on the macroscopic mechanical properties of metal alloys. For a realistic simulation, we use the well established thermodynamically consistent phase-field method and improve it with a new grand potential formulation to couple the concentration evolution. This extension is very compute intensive due to a temperature dependent diffusive concentration. We significantly extend previous simulations that have used simpler phase-field models or were performed on smaller domain sizes. The new method has been implemented within the massively parallel HPC framework waLBerla that is designed to exploit current supercomputers efficiently. We apply various optimization techniques, including buffering techniques, explicit SIMD kernel vectorization, and communication hiding. Simulations utilizing up to 262,144 cores have been run on three different supercomputing architectures and weak scalability results are show...
A distributed computing tool for generating neural simulation databases.
Calin-Jageman, Robert J; Katz, Paul S
2006-12-01
After developing a model neuron or network, it is important to systematically explore its behavior across a wide range of parameter values or experimental conditions, or both. However, compiling a very large set of simulation runs is challenging because it typically requires both access to and expertise with high-performance computing facilities. To lower the barrier for large-scale model analysis, we have developed NeuronPM, a client/server application that creates a "screen-saver" cluster for running simulations in NEURON (Hines & Carnevale, 1997). NeuronPM provides a user-friendly way to use existing computing resources to catalog the performance of a neural simulation across a wide range of parameter values and experimental conditions. The NeuronPM client is a Windows-based screen saver, and the NeuronPM server can be hosted on any Apache/PHP/MySQL server. During idle time, the client retrieves model files and work assignments from the server, invokes NEURON to run the simulation, and returns results to the server. Administrative panels make it simple to upload model files, define the parameters and conditions to vary, and then monitor client status and work progress. NeuronPM is open-source freeware and is available for download at http://neuronpm.homeip.net . It is a useful entry-level tool for systematically analyzing complex neuron and network simulations.
Computer Simulations of Soft Matter: Linking the Scales
Directory of Open Access Journals (Sweden)
Raffaello Potestio
2014-07-01
Full Text Available In the last few decades, computer simulations have become a fundamental tool in the field of soft matter science, allowing researchers to investigate the properties of a large variety of systems. Nonetheless, even the most powerful computational resources presently available are, in general, sufficient to simulate complex biomolecules only for a few nanoseconds. This limitation is often circumvented by using coarse-grained models, in which only a subset of the system’s degrees of freedom is retained; for an effective and insightful use of these simplified models; however, an appropriate parametrization of the interactions is of fundamental importance. Additionally, in many cases the removal of fine-grained details in a specific, small region of the system would destroy relevant features; such cases can be treated using dual-resolution simulation methods, where a subregion of the system is described with high resolution, and a coarse-grained representation is employed in the rest of the simulation domain. In this review we discuss the basic notions of coarse-graining theory, presenting the most common methodologies employed to build low-resolution descriptions of a system and putting particular emphasis on their similarities and differences. The AdResS and H-AdResS adaptive resolution simulation schemes are reported as examples of dual-resolution approaches, especially focusing in particular on their theoretical background.
Phase Behaviors in Bi-phase Simulation of Powder Segregation in Metal Injection Molding
Institute of Scientific and Technical Information of China (English)
Liu Baosheng; Fan Xiaoxin; Cheng Zhiqiang
2006-01-01
Powder segregation induced by mold filling is an important phenomenon that affects the final quality of metal injection molding (MIM). The prediction of segregation in MIM requires a bi-phase flow model to describe distinctly the flows of metallic powder and polymer binder. Viscous behaviors for the flows of each phase should hence be determined. The coefficient of interaction between the flows of two phases should also be evaluated. However, only viscosity of the mixed feedstock is measurable by capillary tests. Wall sticking is supposed in the traditional model for capillary tests, while the wall slip is important to be taken into account in MIM injection. Objective of the present paper is to introduce the slip effect in bi-phase simulation, and search the suitable way to determine the viscous behaviors for each phase with the consideration of wall slip in capillary tests. Analytical and numerical methods were proposed to realize such a specific purpose. The proposed method is based on the mass conservation between the capillary flows in mono-phase model for the mixed feedstock and in bi-phase model for the flows of two phases. Examples of the bi-phase simulation in MIM were realized with the software developed by research team. The results show evident segregation, which is valuable for improving the mould designs.
1990-09-01
0 Technical Report 911 D~i. FiLE COPY Computer Simulation Modeling : A Method for Predicting the Utilities of Alternative Computer-Aided Threat...63007A 793 1202 HI 11. TITLE (Include Security Classification) Computer Simulation Modeling : A Method for Predicting the Utilities of Alternative...SECURITY CLASSIFICATION OF THIS PAGE("wn Data Entered) ii Technical Report 911 Computer Simulation Modeling : A Method for Predicting the Utilities of
Methodology for characterizing modeling and discretization uncertainties in computational simulation
Energy Technology Data Exchange (ETDEWEB)
ALVIN,KENNETH F.; OBERKAMPF,WILLIAM L.; RUTHERFORD,BRIAN M.; DIEGERT,KATHLEEN V.
2000-03-01
This research effort focuses on methodology for quantifying the effects of model uncertainty and discretization error on computational modeling and simulation. The work is directed towards developing methodologies which treat model form assumptions within an overall framework for uncertainty quantification, for the purpose of developing estimates of total prediction uncertainty. The present effort consists of work in three areas: framework development for sources of uncertainty and error in the modeling and simulation process which impact model structure; model uncertainty assessment and propagation through Bayesian inference methods; and discretization error estimation within the context of non-deterministic analysis.
COMPUTATIONAL SIMULATION OF FIRE DEVELOPMENT INSIDE A TRADE CENTRE
Directory of Open Access Journals (Sweden)
Constantin LUPU
2015-07-01
Full Text Available Real scale fire experiments involve considerable costs compared to computational mathematical modelling. This paperwork is the result of such a virtual simulation of a fire occurred in a hypothetical wholesale warehouse comprising a large number of trade stands. The analysis starts from the ignition source located inside a trade stand towards the fire expansion over three groups of compartments, by highlighting the heat transfer, both in small spaces, as well as over large distances. In order to confirm the accuracy of the simulation, the obtained values are compared to the ones from the specialized literature.
The very local Hubble flow: computer simulations of dynamical history
Chernin, A D; Valtonen, M J; Dolgachev, V P; Domozhilova, L M; Makarov, D I
2003-01-01
The phenomenon of the very local ($\\le3$ Mpc) Hubble flow is studied on the basis of the data of recent precision observations. A set of computer simulations is performed to trace the trajectories of the flow galaxies back in time to the epoch of the formation of the Local Group. It is found that the `initial conditions' of the flow are drastically different from the linear velocity-distance relation. The simulations enable also to recognize the major trends of the flow evolution and identify the dynamical role of universal antigravity produced by cosmic vacuum.
Computational electronics semiclassical and quantum device modeling and simulation
Vasileska, Dragica; Klimeck, Gerhard
2010-01-01
Starting with the simplest semiclassical approaches and ending with the description of complex fully quantum-mechanical methods for quantum transport analysis of state-of-the-art devices, Computational Electronics: Semiclassical and Quantum Device Modeling and Simulation provides a comprehensive overview of the essential techniques and methods for effectively analyzing transport in semiconductor devices. With the transistor reaching its limits and new device designs and paradigms of operation being explored, this timely resource delivers the simulation methods needed to properly model state-of
A computer simulation approach to measurement of human control strategy
Green, J.; Davenport, E. L.; Engler, H. F.; Sears, W. E., III
1982-01-01
Human control strategy is measured through use of a psychologically-based computer simulation which reflects a broader theory of control behavior. The simulation is called the human operator performance emulator, or HOPE. HOPE was designed to emulate control learning in a one-dimensional preview tracking task and to measure control strategy in that setting. When given a numerical representation of a track and information about current position in relation to that track, HOPE generates positions for a stick controlling the cursor to be moved along the track. In other words, HOPE generates control stick behavior corresponding to that which might be used by a person learning preview tracking.
Modeling and simulation the computer science of illusion
Raczynski, Stanislaw
2006-01-01
Simulation is the art of using tools - physical or conceptual models, or computer hardware and software, to attempt to create the illusion of reality. The discipline has in recent years expanded to include the modelling of systems that rely on human factors and therefore possess a large proportion of uncertainty, such as social, economic or commercial systems. These new applications make the discipline of modelling and simulation a field of dynamic growth and new research. Stanislaw Raczynski outlines the considerable and promising research that is being conducted to counter the problems of
Phase-field simulations of nuclei and early stage solidification microstructures
Nestler, B.; Selzer, M.; Danilov, D.
2009-11-01
To investigate the local properties of heterogeneous nuclei on substrates, a phase-field model is extended to incorporate volume constraints and a third order line tension in the gradient free energy density formulation. The new model is applied to sessile drop simulations of Cu nuclei on Ni substrates to precisely analyse 3D equilibrium shapes and diffusion processes across the phase boundaries. In particular, the formalism with higher order potentials is used to investigate the length-scale dependent effect of the line tension on Young's force balance at triple lines in 3D. The employment of parallel and adaptive simulation techniques is essential for three-dimensional numerical computations. Early stage solidification microstructures of cubic Ni crystals are simulated by scale-bridging molecular dynamics (MD) and phase-field (PF) simulations. The domain of the PF computations is initialized by transferring MD data of the atomic positions and of the shape of the nuclei. The combined approach can be used to study the responses of microstructures upon nucleation.