Interatomic Potential and Structural Stability

Name: Interatomic Potential and Structural Stability
Brand: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
SKU: 9783642849701
Price: 105.11 EUR
Availability: InStock

Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19-23, 1992

Автор: Hisazumi Akai, Kiyoyuki Terakura

Език:

Корици: С меки корици

Издател: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG

Наличност: Външен склад

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Structural stability is of fundamental importance in§materials science. Up-to-date information on th...

Информация за книгата

Автор

Hisazumi Akai, Kiyoyuki Terakura

Език

Английски език

Корици

Книга - С меки корици

Издадена

2012

страници

223

EAN

9783642849701

ISBN

9783642849701

Enbook ID

06622466

Издател

Springer-Verlag Berlin and Heidelberg GmbH & Co. KG

Теглоt

371

Размери

155 x 235 x 14

Пълно описание

Structural stability is of fundamental importance in§materials science. Up-to-date information on the theoretical§aspects of phase stability of materials is contained in this§volume. Most of the first-principles calculations are based§on the local-density approximation (LDA). In contrast, this§volume contains very recent results of "going beyond LDA",§such as the density gradient expansion and the quantum§Monte-Carlomethod.Following the recently introduced theoretical methods for§the calculation of interatomic potentials, forces acting on§atoms and total energies such as the Car-Parrinello, the§effective-medium and the bond-ordermethod, attempts have§been made to develop even more sophisticated methods such as§the order-N method in electronic-structure calculations. The§present status of these methods and their application to§real systems are described.§In addition, in order to study the phase stability atfinite§temperatures, the microscopic calculations have to be§combined with statistical treatment of the systems to§describe, e.g. order-disorder transitions on the Si(001)§surface or alloy phase diagrams. This book contains examples§for this type of calculations.

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Interatomic Potential and Structural Stability

Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19-23, 1992

Информация за книгата

Пълно описание

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