Описание: This book looks at the synthesis of polyaniline by different methods, under different conditions, for various applications, and presents studies of its properties by a wide range of the modern physic-chemical methods. The book provides a comprehensive analysis of experimental results from the point of view of the correlations in the triad synthesis conditions–structurephysico–chemical properties. It combines the results of experimental investigations and original methodology of the description of physical–chemical and electrochemical phenomena at interface surfaces, showing an influence of such phenomena on the applied aspects of the polyaniline and nanocomposites on its basis applications.
Автор: Dongwon Shin; James Saal Название: Computational Materials System Design ISBN: 3319682784 ISBN-13(EAN): 9783319682785 Издательство: Springer Рейтинг: Цена: 16769.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field.
Автор: J.T. Golab; H.L. Sellers Название: Theoretical and Computational Approaches to Interface Phenomena ISBN: 1489913211 ISBN-13(EAN): 9781489913210 Издательство: Springer Рейтинг: Цена: 13974.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Our conference titled "Theoretical and Computational Approaches to Interface Phenomena" held at South Dakota State University, August 2-4, 1993 brought together over thirty scientists from industry and academia and three countries in the western hemisphere to discuss the modeling of interfacial phenomena.
Автор: Shubhabrata Datta Название: Materials Design Using Computational Intelligence Techniques ISBN: 1482238322 ISBN-13(EAN): 9781482238327 Издательство: Taylor&Francis Рейтинг: Цена: 25265.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book illustrates the alternative but effective methods of designing materials, where models are developed through capturing the inherent correlations among the variables on the basis of available imprecise knowledge in the form of rules or database.
Автор: Lee Название: Computational Materials Science, An ISBN: 1498749739 ISBN-13(EAN): 9781498749732 Издательство: Taylor&Francis Рейтинг: Цена: 17609.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.
Автор: Ponnadurai Ramasami Название: Computational Sciences ISBN: 3110465361 ISBN-13(EAN): 9783110465365 Издательство: Walter de Gruyter Цена: 22305.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
Eleven carefully selected, peer-reviewed contributions from the Virtual Conference on Computational Science (VCCS-2016) are featured in this edited book of proceedings. VCCS-2016, an annual meeting, was held online from 1st to 31st August 2016. The theme of the conference was "Computational Thinking for the Advancement of Society" and it matched the paradigm shift in the way we think. VCCS-2016 was attended by 100 participants from 20 countries. The chapters reflect a wide range of fundamental and applied research applying computational methods.
Описание: This book is the first to provide a comprehensive review of recent progress and challenges in the risk assessment of nanomaterials by empirical and computational techniques.
Описание: Comprises papers based on some of the talks presented at the IUTAM Symposium of the same name, held in Cape Town, January 14-18, 2008. This book discusses various issues in modeling, the behavior of various classes of inelastic media, and associated algorithms for carrying out computational simulations.
Автор: Datta Sambhu N Название: Theoretical and Computational Aspects of Magnetic Organic Mo ISBN: 1908977213 ISBN-13(EAN): 9781908977212 Издательство: World Scientific Publishing Рейтинг: Цена: 16474.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials.This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, and an overview of recently developed methods and their successes and shortfalls. Several fields of application, including very strong organic molecular magnets and photo-magnetic switches, are surveyed. Finally, discussions on metal-based materials and simultaneously semiconducting and ferromagnetic extended systems and solids point the way toward future advances.The reader will find a comprehensive discourse on current understanding of magnetic molecules, a thorough survey of computational methods of characterizing known and imagined molecules, simple rules for design of larger magnetic systems, and a guide to opportunities for progress toward organic magnets.
Описание: Contains a collection of papers presented at a conference on nonlinear hyperbolic problems held in Taormina, Italy from 3-8 April, 1992. The papers deal with different mathematical techniques of relevant interest to current research in nonlinear wave propagation.
Описание: Parting with the classical continuum concepts of stress and strain in the computational simulation of solids, this book proposes a peridynamic model that applies the model directly to particle lattices. The model is directly solvable on a computer.
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