Bridging the Time Scales

Bridging the Time Scales

Author: Peter Nielaba

Publisher: Springer Science & Business Media

Published: 2007-10-13

Total Pages: 498

ISBN-13: 3540458379

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The behaviour of many complex materials extends over time- and lengthscales well beyond those that can normally be described using standard molecular dynamics or Monte Carlo simulation techniques. As progress is coming more through refined simulation methods than from increased computer power, this volume is intended as both an introduction and a review of all relevant modern methods that will shape molecular simulation in the forthcoming decade. Written as a set of tutorial reviews, the book will be of use to specialists and nonspecialists alike.


Energy Landscapes

Energy Landscapes

Author: David Wales

Publisher: Cambridge University Press

Published: 2003

Total Pages: 696

ISBN-13: 9780521814157

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A self-contained account of energy landscape theory aimed at graduate students and researchers.


Mechanical Spectroscopy II

Mechanical Spectroscopy II

Author: Leszek B. Magalas

Publisher: Trans Tech Publications Ltd

Published: 2003-02-13

Total Pages: 365

ISBN-13: 3035707162

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2nd International School on Mechanical Spectroscopy, Kraków-Krynica, 3-8 December 2000


Frontiers of Multifunctional Nanosystems

Frontiers of Multifunctional Nanosystems

Author: Eugenia V. Buzaneva

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 497

ISBN-13: 9401003416

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Proceedings of the NATO Advanced Research Workshop on Frontiers in Molecular-Scale Science and Technology of Fullerence, Nanotube, Nanosilicon, Biopolymer (DNA, Protein) Multifunctional Nanosystems, Kyiv, Ukraine, 9-12 September 2001


Reviews in Computational Chemistry, Volume 25

Reviews in Computational Chemistry, Volume 25

Author: Kenny B. Lipkowitz

Publisher: John Wiley & Sons

Published: 2007-11-02

Total Pages: 450

ISBN-13: 0470189061

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VOLUME 25 Reviews in Computational Chemistry Kenny B. Lipkowitz and Thomas R. Cundari This Volume, Like Those Prior To It, Features Pedagogically Driven Reviews By Experts In Various Fields Of Computational Chemistry. Volume 25 Contains: Eight Chapters Covering The Glass Transition In Polymer Melts, Atomistic Modeling Of Friction, The Computation Of Free Volume, Structural Order And Entropy Of Liquids And Glasses, The Reactivity Of Materials At Extreme Conditions, Magnetic Properties Of Transition Metal Clusters, Multiconfigurational Quantum Methods For The Treatment Of Heavy Metals, Recursive Solutions To Large Eigenvalue Problems, And The Development And Uses Of Artificial Intelligence In Chemistry. From Reviews of the Series "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY


Neutron Spin Echo in Polymer Systems

Neutron Spin Echo in Polymer Systems

Author: Dieter Richter

Publisher: Springer Science & Business Media

Published: 2005-04-11

Total Pages: 268

ISBN-13: 9783540228622

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1 Introduction.- 2 Neutron Scattering and Neutron Spin Echo.- 3 Large Scale Dynamics of Homopolymers.-


Molten Salts

Molten Salts

Author: Marcelle Gaune-Escard

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 408

ISBN-13: 9401004587

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Several state-of-the-art applications of molten salts are presented, such as metal-molten salt systems, room temperature glass formation, and room temperature melts. Several recent examples of applications highlight the importance of molten salts in various industries (batteries, pyrochemical reprocessing of nuclear fuel, synthesis and catalysis). The basic concepts of the structure, dynamics, electrochemistry, interfacial and thermodynamic properties are detailed and relevant experimental methods described. Such fundamental concepts are essential for an in-depth understanding of the physicochemical properties of molten salts in general, including metal-molten salts, glass forming and low temperature melts. Experimental methods for investigating structural, dynamical, electrochemical thermodynamical and interfacial properties are detailed, as also are techniques for data collection and analysis. Scientists, engineers and technologists will find the volume a valuable reference source covering a wide spectrum of fundamental concepts and modern technologies.


Computer Simulations of Surfaces and Interfaces

Computer Simulations of Surfaces and Interfaces

Author: Burkhard Dünweg

Publisher: Springer Science & Business Media

Published: 2013-03-07

Total Pages: 422

ISBN-13: 9401001731

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Studies of surfaces and interactions between dissimilar materials or phases are vital for modern technological applications. Computer simulation methods are indispensable in such studies and this book contains a substantial body of knowledge about simulation methods as well as the theoretical background for performing computer experiments and analyzing the data. The book is self-contained, covering a range of topics from classical statistical mechanics to a variety of simulation techniques, including molecular dynamics, Langevin dynamics and Monte Carlo methods. A number of physical systems are considered, including fluids, magnets, polymers, granular media, and driven diffusive systems. The computer simulation methods considered include both standard and accelerated versions. The simulation methods are clearly related to the fundamental principles of thermodynamics and statistical mechanics.