Simulation Methods I
Simulation Methods IMaria FytaInstitute for Computational PhysicsUniversität StuttgartOct. 17 2013
The TeamOlaf LenzSoftwareESPResSoMaria Fytabiomolecules andmaterialsElena Minimasegregation process of polymers Bibek AdhikariCarbon materials2/11
Course contentsBasics (quantum mechanical methods, statistical mechanics, elasticitytheory)Quantum mechanics & methodsStatMech (ensembles, observables)Elasticity theoryCommon features in SimulationsClassical SimulationsMolecular DynamicsMonte CarloLangevin, Brownian DynamicsBuilding potentialsSimulating liquidsOverview of advanced simulation 11
Course where & whenThursdays, 11:30-13:00, ICP Seminar roomTutorialsNew worksheets every other week handed out every 2nd ThursdayDiscussion meetings and tutorials; Friday 08:00-10:00 – ICP CIP-PoolWorksheets due every 2nd Tuesday.First discussion meeting (first worksheet):First tutorial:First worksheet due date:ExamPrerequisite: 50% of the total points in the tutorialsOral examination at the end of the two-semester course (Sim. Meth.I II)http://www.icp.uni-stuttgart.deM.Fyta4/11
Recommended LiteratureD. Frenkel and B. Smit, Understanding Molecular Simulation, Academic Press,San Diego, 2002.M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids, Oxford SciencePublications, Clarendon Press, Oxford, 1987.D. C. Rapaport, The Art of Molecular Dynamics Simulation, Cambridge UniversityPress, 2004.D. P. Landau and K. Binder, A guide to Monte Carlo Simulations in StatisticalPhysics, Cambridge, 2005.M. E. J. Newman and G. T. Barkema, Monte Carlo Methods in Statistical Physics.Oxford University Press, 1999.J.M. Thijssen, Computational Physics, Cambridge (2007)M.E. Tuckermann, Statistical Mechanics: Theory and Molecular Simulation,Oxford Graduate Texts (2010).A. Leach, Molecular Modelling: Principles and Applications, Pearson EducationLtd. (2001).M.O. Steinhauser, Computational Multiscale Modeling of Fluids and Solids,Springer, (2008).http://www.icp.uni-stuttgart.deM.Fyta5/11
KeywordsWhat is Computational Physics?What are Simulation Methods?Why do we need Computer Simulations (in Physics)?http://www.icp.uni-stuttgart.deM.Fyta6/11
Computational PhysicsBridge theory and experimentsVerify or guide experimentsInvolves different spatial and temporal scalesExtraction of a wider range of properties, mechanical, thermodynamic,optical, electronic, etc.Accuracy vs. 11
http://www.icp.uni-stuttgart.deM.Fyta8/11
.deM.Fyta9/11
Levels of Computation(Main examples)Quantum-mechanical (Schrödinger’s eq.)Classical (Netwon’s eq. of motion)Kinetics (mesoscopic) (Boltzmann distribution)Lattice (mesoscopic) (distributions on a lattice)finite elements methods (differential 11
http://www.icp.uni-stuttgart.deM.Fyta11/11
Classical Simulations Molecular Dynamics Monte Carlo Langevin, Brownian Dynamics . Computational Physics, Cambridge (2007) M.E. Tuckermann, Statistical Mechanics: Theory and Molecular Simulation, . What is Computational Physics? What are Simulation Methods? Why do we need Computer Simulations (in Physics)? .
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1 Simulation Modeling 1 2 Generating Randomness in Simulation 17 3 Spreadsheet Simulation 63 4 Introduction to Simulation in Arena 97 5 Basic Process Modeling 163 6 Modeling Randomness in Simulation 233 7 Analyzing Simulation Output 299 8 Modeling Queuing and Inventory Systems 393 9 Entity Movement and Material-Handling Constructs 489
I Introduction to Discrete-Event System Simulation 19 1 Introduction to Simulation 21 1.1 When Simulation Is the Appropriate Tool 22 1.2 When Simulation Is Not Appropriate 22 1.3 Advantages and Disadvantages of Simulation 23 1.4 Areas of Application 25 1.5 Some Recent Applications of Simulation
Engineering Analysis with SolidWorks Simulation 2012 33 Once Simulation has been added, it shows in the main SolidWorks menu and in CommandManager. Figure 2-3: Simulation tab is a part of the SolidWorks CommandManager. Selecting Simulation tab in the CommandManager displays Simulation menu items (icons).
Solutions Manual Discrete-Event System Simulation Fourth Edition Jerry Banks John S. Carson II Barry L. Nelson David M. Nicol January 4, 2005. Contents 1 Introduction to Simulation 1 2 Simulation Examples 5 3 General Principles 19 4 Simulation Software 20 5 Statistical Models in Simulation 21 6 Queueing Models 36 7 Random-Number Generation 44 8 .
Simulation is a process of emulating real design behavior in a software environment. Simulation helps verify the functionality of a design by injecting stimulus and observing the design outputs. This chapter provides an overview of the simulation process, and the simulation options in the Vivado Design Suite. The process of simulation includes:
I Introduction to Discrete-Event System Simulation Chapter 1 Introduction to Simulation 1.1 When Simulation 1s the Appropnate Tool 1.2 When Simulation 1s Not Appropriate 1.3 Advantages and Disadvantages of Simulation 1.4 Areas of Application 1.5 Systems and System Environment 1.6 Co
4.5 Simulation result for BD generator output system for case one. 78 4.6 Simulation result for BD generator output system for case two. 79 4.7 Simulation result for MT output for case one and two 80 4.8 Simulation results of Surrette battery for two cases. 82 4.9 Simulation data of converter components for two cases. 83
