Molecular Simulation Of Phase Equilibria For Complex Fluids Final Report
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Molecular Simulation of Fluids
Author | : Richard J. Sadus |
Publisher | : Elsevier |
Total Pages | : 644 |
Release | : 2002-05-17 |
Genre | : Computers |
ISBN | : 9780444510822 |
The aim of this book is to examine some of the important aspects of recent progress in the use of molecular simulation for investigating fluids. It encompasses both Monte Carlo and molecular dynamic techniques providing details of theory, algorithms and implementation.
Molecular Simulation Studies on Thermophysical Properties
Author | : Gabriele Raabe |
Publisher | : Springer |
Total Pages | : 324 |
Release | : 2017-02-17 |
Genre | : Science |
ISBN | : 9811035458 |
This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions to Monte Carlo and molecular dynamics simulation techniques. It also offers an overview of force-field models for molecular simulations and their parameterization, with a discussion of specific aspects. The book then summarizes the available know-how for analyzing molecular simulation outputs to derive information on thermophysical and structural properties. Both the force-field modeling and the analysis of simulation outputs are illustrated by various examples. Simulation studies on recently introduced HFO compounds as working fluids for different technical applications demonstrate the value of molecular simulations in providing predictions for poorly understood compounds and gaining a molecular-level understanding of their properties. This book will prove a valuable resource to researchers and students alike.
Government Reports Annual Index
Author | : |
Publisher | : |
Total Pages | : 1190 |
Release | : 1994 |
Genre | : Research |
ISBN | : |
Sections 1-2. Keyword Index.--Section 3. Personal author index.--Section 4. Corporate author index.-- Section 5. Contract/grant number index, NTIS order/report number index 1-E.--Section 6. NTIS order/report number index F-Z.
Annual Reviews of Computational Physics VII
Author | : Dietrich Stauffer |
Publisher | : World Scientific |
Total Pages | : 354 |
Release | : 2000 |
Genre | : Science |
ISBN | : 9789810240806 |
The seventh volume of this invaluable series focuses an applications ? from Ising models to the formation of small clusters and phase ordering in fluids, to the structure of concrete, to the growth of cities built from it, to the traffic jams and the biology of life in the cities, and to the marketing of products to consumers. Thus the interdisciplinary research potential of computational physics is particularly well documented.
National Institutes of Health Annual Report of International Activities
Author | : John E. Fogarty International Center for Advanced Study in the Health Sciences |
Publisher | : |
Total Pages | : 228 |
Release | : 1995 |
Genre | : Medicine |
ISBN | : |
Multiscale Modeling
Author | : Pedro Derosa |
Publisher | : CRC Press |
Total Pages | : 310 |
Release | : 2010-12-09 |
Genre | : Science |
ISBN | : 1439810400 |
While the relevant features and properties of nanosystems necessarily depend on nanoscopic details, their performance resides in the macroscopic world. To rationally develop and accurately predict performance of these systems we must tackle problems where multiple length and time scales are coupled. Rather than forcing a single modeling approach to
Advances in Materials and Pavement Performance Prediction II
Author | : K. Anupam |
Publisher | : CRC Press |
Total Pages | : 501 |
Release | : 2020-12-08 |
Genre | : Juvenile Nonfiction |
ISBN | : 1000343480 |
Inspired from the legacy of the previous four 3DFEM conferences held in Delft and Athens as well as the successful 2018 AM3P conference held in Doha, the 2020 AM3P conference continues the pavement mechanics theme including pavement models, experimental methods to estimate model parameters, and their implementation in predicting pavement performance. The AM3P conference is organized by the Standing International Advisory Committee (SIAC), at the time of this publication chaired by Professors Tom Scarpas, Eyad Masad, and Amit Bhasin. Advances in Materials and Pavement Performance Prediction II includes over 111 papers presented at the 2020 AM3P Conference. The technical topics covered include: - rigid pavements - pavement geotechnics - statistical and data tools in pavement engineering - pavement structures - asphalt mixtures - asphalt binders The book will be invaluable to academics and engineers involved or interested in pavement engineering, pavement models, experimental methods to estimate model parameters, and their implementation in predicting pavement performance.
Molecular Dynamics
Author | : Lichang Wang |
Publisher | : BoD – Books on Demand |
Total Pages | : 448 |
Release | : 2012-04-11 |
Genre | : Computers |
ISBN | : 9535104446 |
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This second book begins with an introduction of molecular dynamics simulations to macromolecules and then illustrates the computer experiments using molecular dynamics simulations in the studies of synthetic and biological macromolecules, plasmas, and nanomachines. Coverage of this book includes: Complex formation and dynamics of polymers Dynamics of lipid bilayers, peptides, DNA, RNA, and proteins Complex liquids and plasmas Dynamics of molecules on surfaces Nanofluidics and nanomachines