Molecular Hydrodynamics

Molecular Hydrodynamics
Author: Jean Pierre Boon
Publisher: Courier Corporation
Total Pages: 452
Release: 1991-01-01
Genre: Science
ISBN: 9780486669496

A graduate level introduction to the theory and applications of time correlation functions and the molecular theory of fluid dynamics. "Quite well organized . . . the literature coverage is impressive." — Physics Today. 110 illustrations.

Molecular Hydrodynamics

Molecular Hydrodynamics
Author: Jean-Pierre Boon
Publisher: McGraw-Hill Companies
Total Pages: 442
Release: 1980
Genre: Science
ISBN:

A graduate level introduction to the theory and applications of time correlation functions and the molecular theory of fluid dynamics. 110 illus.

Nonequilibrium Molecular Dynamics

Nonequilibrium Molecular Dynamics
Author: Billy D. Todd
Publisher: Cambridge University Press
Total Pages: 371
Release: 2017-03-10
Genre: Technology & Engineering
ISBN: 1316982475

Written by two specialists with over twenty-five years of experience in the field, this valuable text presents a wide range of topics within the growing field of nonequilibrium molecular dynamics (NEMD). It introduces theories which are fundamental to the field - namely, nonequilibrium statistical mechanics and nonequilibrium thermodynamics - and provides state-of-the-art algorithms and advice for designing reliable NEMD code, as well as examining applications for both atomic and molecular fluids. It discusses homogenous and inhomogenous flows and pays considerable attention to highly confined fluids, such as nanofluidics. In addition to statistical mechanics and thermodynamics, the book covers the themes of temperature and thermodynamic fluxes and their computation, the theory and algorithms for homogenous shear and elongational flows, response theory and its applications, heat and mass transport algorithms, applications in molecular rheology, highly confined fluids (nanofluidics), the phenomenon of slip and how to compute it from basic microscopic principles, and generalized hydrodynamics.

The Art of Molecular Dynamics Simulation

The Art of Molecular Dynamics Simulation
Author: D. C. Rapaport
Publisher: Cambridge University Press
Total Pages: 568
Release: 2004-04-01
Genre: Science
ISBN: 1139451766

The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. Since there is no alternative approach capable of handling this extremely broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book, first published in 2004, is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. It is organized as a series of case studies that take the reader through each of the steps from formulating the problem, developing the necessary software, and then using the programs to make actual measurements. The second edition of the book includes a substantial amount of new material as well as completely rewritten software.

Monte Carlo and Molecular Dynamics Simulations in Polymer Science

Monte Carlo and Molecular Dynamics Simulations in Polymer Science
Author: Kurt Binder
Publisher: Oxford University Press
Total Pages: 602
Release: 1995-08-03
Genre: Science
ISBN: 0195357469

Written by leading experts from around the world, Monte Carlo and Molecular Dynamics Simulations in Polymer Science comprehensively reviews the latest simulation techniques for macromolecular materials. Focusing in particular on numerous new techniques, the book offers authoritative introductions to solutions of neutral polymers and polyelectrolytes; dynamics of polymer melts, rubbers and gels, and glassy materials; thermodynamics of polymer mixing and mesophase formation, and polymers confined at interfaces and grafted to walls. Throughout, contributors offer practical advice on how to overcome the unique challenges posed by the large size and slow relaxation of polymer coils. Students and researchers in polymer chemistry, polymer physics, chemical engineering, and materials and computational science will all benefit from the cogent, step-by-step introductions contained in this important new book.

Molecular Dynamics Simulation

Molecular Dynamics Simulation
Author: Giovanni Ciccotti
Publisher: MDPI
Total Pages: 627
Release: 2018-10-08
Genre: Science
ISBN: 3906980650

Printed Edition of the Special Issue Published in Entropy

Smoothed Particle Hydrodynamics

Smoothed Particle Hydrodynamics
Author: Carlos Alberto Dutra Fraga Filho
Publisher: Springer
Total Pages: 167
Release: 2018-11-30
Genre: Science
ISBN: 3030007731

This book is based on results obtained over a decade of study and research. It questions the use of dynamic molecular models in the continuum scale providing alternative solutions to open problems in the literature. It provides a physical-mathematical understanding of the differential equations that govern fluid flow and energy transport, serving as a reference to the application of Smoothed Particle Hydrodynamics in continuum fluid mechanics and transport phenomena. The physical-mathematical modelling of the problems in the continuum scale and the employment of the SPH method for solving the equations are presented. Examples of applications in continuum fluid mechanics with numerical results and discussions are also provided. This literature defends the concepts of continuum mechanics and the application of boundary treatment techniques that do not violate the laws of physics.

Nonequilibrium Gas Dynamics and Molecular Simulation

Nonequilibrium Gas Dynamics and Molecular Simulation
Author: Iain D. Boyd
Publisher: Cambridge University Press
Total Pages: 383
Release: 2017-03-23
Genre: Science
ISBN: 1107073448

7.1 Introduction -- 7.2 Rotational Energy Exchange Models -- 7.2.1 Constant Collision Number -- 7.2.2 The Parker Model -- 7.2.3 Variable Probability Exchange Model of Boyd -- 7.2.4 Nonequilibrium Direction Dependent Model -- 7.2.5 Model Results -- 7.3 Vibrational Energy Exchange Models -- 7.3.1 Constant Collision Number -- 7.3.2 The Millikan-White Model -- 7.3.3 Quantized Treatment for Vibration -- 7.3.4 Model Results -- 7.4 Dissociation Chemical Reactions -- 7.4.1 Total Collision Energy Model -- 7.4.2 Redistribution of Energy Following a Dissociation Reaction -- 7.4.3 Vibrationally Favored Dissociation Model -- 7.5 General Chemical Reactions -- 7.5.1 Reaction Rates and Equilibrium Constant -- 7.5.2 Backward Reaction Rates in DSMC -- 7.5.3 Three-Body Recombination Reactions -- 7.5.4 Post-Reaction Energy Redistribution and General Implementation -- 7.5.5 DSMC Solutions for Reacting Flows -- 7.6 Summary -- Appendix A: Generating Particle Properties -- Appendix B: Collisional Quantities -- Appendix C: Determining Post-Collision Velocities -- Appendix D: Macroscopic Properties -- Appendix E: Common Integrals -- References -- Index

Methods in Molecular Biophysics

Methods in Molecular Biophysics
Author: Nathan R. Zaccai
Publisher: Cambridge University Press
Total Pages: 710
Release: 2017-05-18
Genre: Science
ISBN: 1108508804

Current techniques for studying biological macromolecules and their interactions are based on the application of physical methods, ranging from classical thermodynamics to more recently developed techniques for the detection and manipulation of single molecules. Reflecting the advances made in biophysics research over the past decade, and now including a new section on medical imaging, this new edition describes the physical methods used in modern biology. All key techniques are covered, including mass spectrometry, hydrodynamics, microscopy and imaging, diffraction and spectroscopy, electron microscopy, molecular dynamics simulations and nuclear magnetic resonance. Each method is explained in detail using examples of real-world applications. Short asides are provided throughout to ensure that explanations are accessible to life scientists, physicists and those with medical backgrounds. The book remains an unparalleled and comprehensive resource for graduate students of biophysics and medical physics in science and medical schools, as well as for research scientists looking for an introduction to techniques from across this interdisciplinary field.

Smoothed Particle Hydrodynamics

Smoothed Particle Hydrodynamics
Author: Gui-Rong Liu
Publisher: World Scientific
Total Pages: 473
Release: 2003
Genre: Technology & Engineering
ISBN: 9812384561

This is the first-ever book on smoothed particle hydrodynamics (SPH) and its variations, covering the theoretical background, numerical techniques, code implementation issues, and many novel and interesting applications. It contains many appealing and practical examples, including free surface flows, high explosive detonation and explosion, underwater explosion and water mitigation of explosive shocks, high velocity impact and penetration, and multiple scale simulations coupled with the molecular dynamics method. An SPH source code is provided and coupling of SPH and molecular dynamics is discussed for multiscale simulation, making this a friendly book for readers and SPH users.