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Author: Giovanni Ciccotti
Publisher: North Holland
ISBN:
Category : Mathematics
Languages : en
Pages : 504
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Book Description
Author: Giovanni Ciccotti
Publisher: North Holland
ISBN:
Category : Mathematics
Languages : en
Pages : 504
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Book Description
Author: M. P. Allen
Publisher: Oxford University Press
ISBN: 9780198556459
Category : Computers
Languages : en
Pages : 412
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Book Description
Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods.
Author: Michael P. Allen
Publisher: Oxford University Press
ISBN: 0192524704
Category : Science
Languages : en
Pages : 641
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Book Description
This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text.
Author: David Tabor
Publisher: Cambridge University Press
ISBN: 9780521406673
Category : Science
Languages : en
Pages : 448
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Book Description
This is now the third edition of a well established and highly successful undergraduate text. The content of the second edition has been reworked and added to where necessary, and completely new material has also been included. There are new sections on amorphous solids and liquid crystals, and completely new chapters on colloids and polymers. Using unsophisticated mathematics and simple models, Professor Tabor leads the reader skilfully and systematically from the basic physics of interatomic and intermolecular forces, temperature, heat and thermodynamics, to a coherent understanding of the bulk properties of gases, liquids and solids. The introductory material on intermolecular forces and on heat and thermodynamics is followed by several chapters dealing with the properties of ideal and real gases, both at an elementary and at a more sophisticated level. The mechanical, thermal and electrical properties of solids are considered next, before an examination of the liquid state. The author continues with chapters on colloids and polymers, and ends with a discussion of the dielectric and magnetic properties of matter in terms of simple atomic models. The abiding theme is that all these macroscopic material properties can be understood as resulting from the competition between thermal energy and intermolecular or interatomic forces. This is a lucid textbook which will continue to provide students of physics and chemistry with a comprehensive and integrated view of the properties of matter in all its many fascinating forms.
Author: Daan Frenkel
Publisher: Elsevier
ISBN: 0080519989
Category : Science
Languages : en
Pages : 661
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Book Description
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.
Author: Angel Mulero
Publisher: Springer
ISBN: 3540787674
Category : Science
Languages : en
Pages : 568
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Book Description
Hard spheres and related objects (hard disks and mixtures of hard systems) are paradigmatic systems: indeed, they have served as a basis for the theoretical and numerical development of a number of fields, such as general liquids and fluids, amorphous solids, liquid crystals, colloids and granular matter, to name but a few. The present volume introduces and reviews some important basics and progress in the study of such systems. Their structure, thermodynamic properties, equations of state, as well as kinetic and transport properties are considered from different and complementary points of view. This book addresses graduate students, lecturers as well as researchers in statistical mechanics, physics of liquids, physical chemistry and chemical engineering.
Author: R.W Hockney
Publisher: CRC Press
ISBN: 9781439822050
Category : Science
Languages : en
Pages : 566
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Book Description
Computer simulation of systems has become an important tool in scientific research and engineering design, including the simulation of systems through the motion of their constituent particles. Important examples of this are the motion of stars in galaxies, ions in hot gas plasmas, electrons in semiconductor devices, and atoms in solids and liquids. The behavior of the system is studied by programming into the computer a model of the system and then performing experiments with this model. New scientific insight is obtained by observing such computer experiments, often for controlled conditions that are not accessible in the laboratory. Computer Simulation using Particles deals with the simulation of systems by following the motion of their constituent particles. This book provides an introduction to simulation using particles based on the NGP, CIC, and P3M algorithms and the programming principles that assist with the preparations of large simulation programs based on the OLYMPUS methodology. It also includes case study examples in the fields of astrophysics, plasmas, semiconductors, and ionic solids as well as more detailed mathematical treatment of the models, such as their errors, dispersion, and optimization. This resource will help you understand how engineering design can be assisted by the ability to predict performance using the computer model before embarking on costly and time-consuming manufacture.
Author: David J. Srolovitz
Publisher: Springer Science & Business Media
ISBN: 1468457039
Category : Technology & Engineering
Languages : en
Pages : 454
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Book Description
This book contains proceedings of an international symposium on Atomistic th Simulation of Materials: Beyond Pair Potentials which was held in Chicago from the 25 th to 30 of September 1988, in conjunction with the ASM World Materials Congress. This symposium was financially supported by the Energy Conversion and Utilization Technology Program of the U. S Department of Energy and by the Air Force Office of Scientific Research. A total of fifty four talks were presented of which twenty one were invited. Atomistic simulations are now common in materials research. Such simulations are currently used to determine the structural and thermodynamic properties of crystalline solids, glasses and liquids. They are of particular importance in studies of crystal defects, interfaces and surfaces since their structures and behavior playa dominant role in most materials properties. The utility of atomistic simulations lies in their ability to provide information on those length scales where continuum theory breaks down and instead complex many body problems have to be solved to understand atomic level structures and processes.
Author: Dr. Seuss
Publisher: RH Childrens Books
ISBN: 0385379323
Category : Juvenile Fiction
Languages : en
Pages : 29
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Book Description
Join Bartholomew Cubbins in Dr. Seuss’s Caldecott Honor–winning picture book about a king’s magical mishap! Bored with rain, sunshine, fog, and snow, King Derwin of Didd summons his royal magicians to create something new and exciting to fall from the sky. What he gets is a storm of sticky green goo called Oobleck—which soon wreaks havock all over his kingdom! But with the assistance of the wise page boy Bartholomew, the king (along with young readers) learns that the simplest words can sometimes solve the stickiest problems.
Author: M. C. Roco
Publisher: Butterworth-Heinemann
ISBN:
Category : Science
Languages : en
Pages : 1032
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Book Description
This book is a collection of 28 contributions on basic phenomena and advanced methods of investigation for particulate two-phase flow. Written by leading scientists in the field, this book covers new measurement methods, experimental results on particulate two-phase flow microstructure at low and large Reynolds numbers, micromechanical, probabilistic, and numerical simulations, as well as production of ultrafine particles via aerosols and colloids for materials with controlled microstructure. Each chapter is focused on the qualitative progress made in the field in the last several years and has an extensive review section and original results. This unique volume assembles information previously found only in journals and specialized publications. It is an invaluable reference for researchers and engineers from academia and industry.
