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Author: Carlo Massobrio
Publisher: Springer
ISBN: 3319156756
Category : Technology & Engineering
Languages : en
Pages : 540
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Book Description
This book is a unique reference work in the area of atomic-scale simulation of glasses. For the first time, a highly selected panel of about 20 researchers provides, in a single book, their views, methodologies and applications on the use of molecular dynamics as a tool to describe glassy materials. The book covers a wide range of systems covering "traditional" network glasses, such as chalcogenides and oxides, as well as glasses for applications in the area of phase change materials. The novelty of this work is the interplay between molecular dynamics methods (both at the classical and first-principles level) and the structure of materials for which, quite often, direct experimental structural information is rather scarce or absent. The book features specific examples of how quite subtle features of the structure of glasses can be unraveled by relying on the predictive power of molecular dynamics, used in connection with a realistic description of forces.
Author: Carlo Massobrio
Publisher: Springer
ISBN: 3319156756
Category : Technology & Engineering
Languages : en
Pages : 540
Get Book Here
Book Description
This book is a unique reference work in the area of atomic-scale simulation of glasses. For the first time, a highly selected panel of about 20 researchers provides, in a single book, their views, methodologies and applications on the use of molecular dynamics as a tool to describe glassy materials. The book covers a wide range of systems covering "traditional" network glasses, such as chalcogenides and oxides, as well as glasses for applications in the area of phase change materials. The novelty of this work is the interplay between molecular dynamics methods (both at the classical and first-principles level) and the structure of materials for which, quite often, direct experimental structural information is rather scarce or absent. The book features specific examples of how quite subtle features of the structure of glasses can be unraveled by relying on the predictive power of molecular dynamics, used in connection with a realistic description of forces.
Author: Carlo Massobrio
Publisher:
ISBN: 9783319156767
Category :
Languages : en
Pages :
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Book Description
This book is a unique reference work in the area of atomic-scale simulation of glasses. For the first time, a highly selected panel of about 20 researchers provides, in a single book, their views, methodologies and applications on the use of molecular dynamics as a tool to describe glassy materials. The book covers a wide range of systems covering "traditional" network glasses, such as chalcogenides and oxides, as well as glasses for applications in the area of phase change materials. The novelty of this work is the interplay between molecular dynamics methods (both at the classical and first-principles level) and the structure of materials for which, quite often, direct experimental structural information is rather scarce or absent. The book features specific examples of how quite subtle features of the structure of glasses can be unraveled by relying on the predictive power of molecular dynamics, used in connection with a realistic description of forces.
Author: Lichang Wang
Publisher: BoD – Books on Demand
ISBN: 9535104438
Category : Mathematics
Languages : en
Pages : 440
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Book Description
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 first book begins with a general description of underlying theories of molecular dynamics simulations and provides extensive coverage of molecular dynamics simulations in nanotechnology and energy. Coverage of this book includes: Recent advances of molecular dynamics theory Formation and evolution of nanoparticles of up to 106 atoms Diffusion and dissociation of gas and liquid molecules on silicon, metal, or metal organic frameworks Conductivity of ionic species in solid oxides Ion solvation in liquid mixtures Nuclear structures
Author: D. C. Rapaport
Publisher: Cambridge University Press
ISBN: 1139451766
Category : Science
Languages : en
Pages : 568
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Book Description
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.
Author: Dominik Marx
Publisher: Cambridge University Press
ISBN:
Category :
Languages : en
Pages : 578
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Book Description
Focusing on a breakthrough combination methodology, this handbook and ready reference is the first book to collect and present all facets of the important Car-Parrinello approach. Clearly divided into three sections, the text covers basic and advanced techniques, before finishing with applications. A must-have for all computational researchers and producers of pharmaceuticals and other complex molecules.
Author: J. M. Haile
Publisher: Wiley-Interscience
ISBN: 9780471819660
Category : Technology & Engineering
Languages : en
Pages : 489
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Book Description
"Provides a lot of reading pleasure and many new insights." -Journal of Molecular Structure "This is the most entertaining, stimulating and useful book which can be thoroughly recommended to anyone with an interest in computer simulation." -Contemporary Physics "A very useful introduction . . . more interesting to read than the often dry equation-based texts." -Journal of the American Chemical Society Written especially for the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to devise a model for specific molecules and then how to simulate their movements using a computer. This book provides a collection of methods that until now have been scattered through the literature of the last 25 years. It reviews elements of sampling theory and discusses how modern notions of chaos and nonlinear dynamics explain the workings of molecular dynamics. Stresses easy-to-use molecules * Provides sample calculations and figures * Includes four complete FORTRAN codes
Author: Kurt Binder
Publisher: World Scientific Publishing Company
ISBN: 9813106611
Category : Science
Languages : en
Pages : 453
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Book Description
The physics of glassy materials and disordered solids presents students with an area of study much more challenging than the physics of crystalline solids. Written by two recognized experts in the field, this highly readable book tackles the subject with the student firmly in mind, beginning with a pedagogical introduction to important concepts such as percolation, fractals, spin glasses, and glasses. Making use of these concepts, the authors show that such systems share many common aspects that can be described within the framework of statistical mechanics. The book is also an essential standard text for researchers on amorphous materials, equally accessible for theorists and experimentalists.
Author: W. Andrzej Sokalski
Publisher: Springer
ISBN: 9789048173532
Category : Science
Languages : en
Pages : 0
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Book Description
Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book constitutes one of the first attempts to overview ongoing research efforts. It provides basic information, as well as the details of theory and examples of its application, to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials.
Author: S. K. Tripathi
Publisher: Alpha Science Int'l Ltd.
ISBN: 9788173194634
Category : Science
Languages : en
Pages : 292
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Book Description
Proceedings of the National Conference on "Recent Developments on Disordered Materials", held in Dept. of Physics, Panjab University, Chandigarh, on 15-16 March, 2001; contributed papers.
Author: Roger Pynn
Publisher: Springer Science & Business Media
ISBN: 1468474766
Category : Science
Languages : en
Pages : 497
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Book Description
This volume comprised the proceedings of a NATO Advanced Study Institute held in Geilo, Norway between 29 March and 9 April 1987. Al though the principal support for the meeting was provided by the NATO Cornrni ttee for Scientific Affairs, a number of additional sponsors also contributed. Additional funds were received from: Institutt for Energiteknikk (Norway) The Norwegian Research Council for Science and Humanities NORDITA (Denmark) VISTA (Norway) The organizing cornrni ttee would like to take this opportunity to thank all sponsors for their help in promoting an exciting and rewarding meeting. This Study Institute was the ninth of a series of meetings held in Geilo on subjects related to phase transitions and was a natural successor to the 1985 meeting on Scaling Phenomena in Disordered Systems. Many of the subjects discussed at the latter meeting were revisited in 1987, with time dependence as an added feature. Often the common theme was the concept of fractals first introduced into statistical physics some six years ago. However, by no means all disordered systems can be forced into a fractal framework, and many of the lectures reinforced this lesson.
