Devastatingly simple, yet hugely effective, the concept of this timely text is to provide a comprehensive overview of computational physics methods and techniques used for materials modeling on different length and time scales. Each chapter first provides an overview of the physical basic principles which are the basis for the numerical and mathematical modeling on the respective length scale. The book includes the micro scale, the meso-scale and the macro scale.

The purpose of this book is to introduce researchers and graduate students to a broad range of applications of computational simulations, with a particular emphasis on those involving computational fluid dynamics (CFD) simulations. The book is divided into three parts: Part I covers some basic research topics and development in numerical algorithms for CFD simulations, including Reynolds stress transport modeling, central difference schemes for convection-diffusion equations, and flow simulations involving simple geometries such as a flat plate or a vertical channel. Part II covers a variety of important applications in which CFD simulations play a crucial role, including combustion process and automobile engine design, fluid heat exchange, airborne contaminant dispersion over buildings and atmospheric flow around a re-entry capsule, gas-solid two phase flow in long pipes, free surface flow around a ship hull, and hydrodynamic analysis of electrochemical cells. Part III covers applications of non-CFD based computational simulations, including atmospheric optical communications, climate system simulations, porous media flow, combustion, solidification, and sound field simulations for optimal acoustic effects.

Computational Fluid Dynamics (CFD) is an important design tool in engineering and also a substantial research tool in various physical sciences as well as in biology. The objective of this book is to provide university students with a solid foundation for understanding the numerical methods employed in today's CFD and to familiarise them with modern CFD codes by hands-on experience. It is also intended for engineers and scientists starting to work in the field of CFD or for those who apply CFD codes. Due to the detailed index, the text can serve as a reference handbook too. Each chapter includes an extensive bibliography, which provides an excellent basis for further studies.

Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.

This book is the first to introduce a mesoscale polymer simulation system called OCTA. With its name derived from "Open Computational Tool for Advanced material technology," OCTA is a unique software product, available without charge, that was developed in a project funded by Japanese government. OCTA contains a series of simulation programs focused on mesoscale simulation of the soft matter COGNAC, SUSHI, PASTA, NAPLES, MUFFIN, and KAPSEL. When mesoscale polymer simulation is performed, one may encounter many difficulties that this book will help to overcome. The book not only introduces the theoretical background and functions of each simulation engine, it also provides many examples of the practical applications of the OCTA system. Those examples include predicting mechanical properties of plastic and rubber, morphology formation of polymer blends and composites, the micelle structure of surfactants, and optical properties of polymer films. This volume is strongly recommended as a valuable resource for both academic and industrial researchers who work in polymer simulation.

Methodological Guidelines for Modeling and Developing MAS-Based Simulations The intersection of agents, modeling, simulation, and application domains has been the subject of active research for over two decades. Although agents and simulation have been used effectively in a variety of application domains, much of the supporting research remains scattered in the literature, too often leaving scientists to develop multi-agent system (MAS) models and simulations from scratch. Multi-Agent Systems: Simulation and Applications provides an overdue review of the wide ranging facets of MAS simulation, including methodological and application-oriented guidelines. This comprehensive resource reviews two decades of research in the intersection of MAS, simulation, and different application domains. It provides scientists and developers with disciplined engineering approaches to modeling and developing MAS-based simulations. After providing an overview of the field’s history and its basic principles, as well as cataloging the various simulation engines for MAS, the book devotes three sections to current and emerging approaches and applications. Simulation for MAS — explains simulation support for agent decision making, the use of simulation for the design of self-organizing systems, the role of software architecture in simulating MAS, and the use of simulation for studying learning and stigmergic interaction. MAS for Simulation — discusses an agent-based framework for symbiotic simulation, the use of country databases and expert systems for agent-based modeling of social systems, crowd-behavior modeling, agent-based modeling and simulation of adult stem cells, and agents for traffic simulation. Tools — presents a number of representative platforms and tools for MAS and simulation, including Jason, James II, SeSAm, and RoboCup Rescue. Complete with over 200 figures and formulas, this reference book provides the necessary overview of experiences with MAS simulation and the tools needed to exploit simulation in MAS for future research in a vast array of applications including home security, computational systems biology, and traffic management.