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Carte Interatomic Potential and Structural Stability Hisazumi Akai

Interatomic Potential and Structural Stability

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

Autor: Hisazumi Akai, Kiyoyuki Terakura
Limbă: engleză
Legare: Carte broșată
Editura: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Disponibilitate: În depozitul extern
Expediem în 5-8 zile
551.23 lei
Structural stability is of fundamental importance in§materials science. Up-to-date information on th...

Informații despre carte

Autor
Hisazumi Akai, Kiyoyuki Terakura
Limbă
engleză
Legare
Carte - Carte broșată
Publicat
2012
Pagini
223
EAN
9783642849701
ISBN
9783642849701
Enbook ID
06622466
Editura
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Greutate
371
Dimensiuni
155 x 235 x 14

Descriere completă

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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