Molecular Dynamics of Nanostructures and Nanoionics, Habasaki, Junko
Автор: A. Dieter Schl?ter Название: Functional Molecular Nanostructures ISBN: 3642060153 ISBN-13(EAN): 9783642060151 Издательство: Springer Рейтинг: Цена: 59955.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: With contributions by numerous experts
Автор: Boyd Название: Nonequilibrium Gas Dynamics and Molecular Simulation ISBN: 1107073448 ISBN-13(EAN): 9781107073449 Издательство: Cambridge Academ Рейтинг: Цена: 23918.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This current, comprehensive book provides an updated treatment of molecular gas dynamics topics for aerospace engineers, and is aimed at graduate students, engineers, and scientists. It features an explanation of the direct simulation Monte Carlo (DSMC) method, a numerical technique based on molecular simulation, through equations, algorithms, and physical models.
Автор: David A. Micha; Irene Burghardt Название: Quantum Dynamics of Complex Molecular Systems ISBN: 364243617X ISBN-13(EAN): 9783642436178 Издательство: Springer Рейтинг: Цена: 22201.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis.
Автор: Alexander Heinecke; Wolfgang Eckhardt; Martin Hors Название: Supercomputing for Molecular Dynamics Simulations ISBN: 331917147X ISBN-13(EAN): 9783319171470 Издательство: Springer Рейтинг: Цена: 6986.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms.
Автор: Leonid I. Manevitch; Agnessa Kovaleva; Valeri Smir Название: Nonstationary Resonant Dynamics of Oscillatory Chains and Nanostructures ISBN: 9811046654 ISBN-13(EAN): 9789811046650 Издательство: Springer Рейтинг: Цена: 20962.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book suggests a new common approach to the study of resonance energy transport based on the recently developed concept of Limiting Phase Trajectories (LPTs), presenting applications of the approach to significant nonlinear problems from different fields of physics and mechanics.
Описание: This book provides a comprehensive overview of the latest developments in the field of spin dynamics and magnetic damping. It discusses the various ways to tune damping, specifically, dynamic and static control in a ferromagnetic layer/heavy metal layer. In addition, it addresses all optical detection techniques for the investigation of modulation of damping, for example, the time-resolved magneto-optical Kerr effect technique.
Автор: Leonid I. Manevitch; Agnessa Kovaleva; Valeri Smir Название: Nonstationary Resonant Dynamics of Oscillatory Chains and Nanostructures ISBN: 9811351953 ISBN-13(EAN): 9789811351952 Издательство: Springer Рейтинг: Цена: 20962.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book suggests a new common approach to the study of resonance energy transport based on the recently developed concept of Limiting Phase Trajectories (LPTs), presenting applications of the approach to significant nonlinear problems from different fields of physics and mechanics. In order to highlight the novelty and perspectives of the developed approach, it places the LPT concept in the context of dynamical phenomena related to the energy transfer problems and applies the theory to numerous problems of practical importance. This approach leads to the conclusion that strongly nonstationary resonance processes in nonlinear oscillator arrays and nanostructures are characterized either by maximum possible energy exchange between the clusters of oscillators (coherence domains) or by maximum energy transfer from an external source of energy to the chain. The trajectories corresponding to these processes are referred to as LPTs. The development and the use of the LPTs concept are motivated by the fact that non-stationary processes in a broad variety of finite-dimensional physical models are beyond the well-known paradigm of nonlinear normal modes (NNMs), which is fully justified either for stationary processes or for nonstationary non-resonance processes described exactly or approximately by the combinations of the non-resonant normal modes. Thus, the role of LPTs in understanding and analyzing of intense resonance energy transfer is similar to the role of NNMs for the stationary processes. The book is a valuable resource for engineers needing to deal effectively with the problems arising in the fields of mechanical and physical applications, when the natural physical model is quite complicated. At the same time, the mathematical analysis means that it is of interest to researchers working on the theory and numerical investigation of nonlinear oscillations.
Описание: This book provides a comprehensive overview of the latest developments in the field of spin dynamics and magnetic damping. In addition, it addresses all optical detection techniques for the investigation of modulation of damping, for example, the time-resolved magneto-optical Kerr effect technique.
Автор: Jang, Seogjoo Название: Dynamics Of Molecular Excitons ISBN: 0081023359 ISBN-13(EAN): 9780081023358 Издательство: Elsevier Science Рейтинг: Цена: 26107.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
Dynamics of Molecular Excitons provides a comprehensive, but concise description of major theories on the dynamics of molecular excitons, intended to serve as a self-contained resource on the topic. Designed to help those new to this area gain proficiency in this field, experts will also find the book useful in developing a deeper understanding of the subject.
The starting point of the book is the standard microscopic definition of molecular Hamiltonians presented in commonly accepted modern quantum mechanical notations. Major assumptions and approximations involved in constructing Frenkel-type exciton Hamiltonians, which are well established, but are often hidden under arcane notations and approximations of old publications, are presented in detail. This will help quantum chemists understand the major assumptions involved in the definition of commonly used exciton models.
Rate theories of exciton dynamics, such as F rster and Dexter theories and their modern generalizations, are presented in a unified and detailed manner. In addition, important aspects that are often neglected, such as local field effect and the role of fluctuating environments, are discussed. Various quantum dynamics methods allowing coherent dynamics of excitons are presented in a systematic manner in the context of quantum master equations or path integral formalisms. The author also provides a detailed theoretical explanation for the major spectroscopic techniques probing exciton dynamics, including modern two-dimensional electronic spectroscopy, with a critical assessment of the implications of these spectroscopic measurements. Finally, the book includes a brief overview of major applications including an explanation of organic photovoltaic materials and natural light harvesting complexes.
Автор: Pal, Snehanshu , Ray, Bankim Chandra Название: Molecular Dynamics Simulation of Nanostructured Materials ISBN: 0367029820 ISBN-13(EAN): 9780367029821 Издательство: Taylor&Francis Рейтинг: Цена: 22202.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book aims to detect, critically correlate and properly assess the state of the art in the mechanical behaviour study for nanostructured materials material in the perspective of atomic scale simulation of deformation process. It provides representative examples of mechanical behaviour studies carried out using molecular dynamics simulations.
Автор: Henriksen Niels Название: Theories of Molecular Reaction Dynamics ISBN: 0198805012 ISBN-13(EAN): 9780198805014 Издательство: Oxford Academ Рейтинг: Цена: 11246.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book describes how chemical reactions take place at the atomic level and how one can calculate the rate of such reactions. The book features a systematic and comprehensive presentation of the subject with a wide range of examples and end-of-chapter problems.
Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs presents the three major software packages used for molecular dyanmics simulation of nanocomposites. Materials Studio, Lammps and Gromacs are all used for performing nanocomposites simulations and analysis. The purpose of this book is to provide the readers with an in-depth view of molecular dynamics modeling of nanocomposites using Materials Studio, Lammps and Gromacs. The book explains in detail how to use each of these packages most effectively, using real-world examples to show when each should be used. The latter two of these are open-source codes, which can be used for modelling at no cost.
As well as offering an introduction to molecular dynamics simulation, and explaining how it is applied to nanocomposites, the book includes several case studies, to show how each of the software packages are used to predict various properties of nanocomposites, including metal-matrix, polymer-matrix and ceramic-matrix based nanocomposites. The properties explored include mechanical, thermal, optical and electrical properties. The concept of perl scripting is discussed in detail. The questions this book answers for readers include:
Which module to use?
How do I perform optimization?
Which ensemble to use?
How do I calculate mechanical, thermal, optical and electrical properties?
How do I perform scripting in Materials Studio, Lammps and Gromacs?
This is the first book that explores methodologies for using Materials Studio, Lammps and Gromacs in the same place. It will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation.
Detailed explanation of basic commands and modules of Materials Studio, Lammps and Gromacs
Shows how Materials Studio, Lammps and Gromacs predict mechanical, thermal, electrical and optical properties of nanocomposites
Uses case studies to show which software should be used to solve a variety of nanoscale modelling problems
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