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Author:

Zhang, Jian-Min (Zhang, Jian-Min.) | Wen, Yan-Ni (Wen, Yan-Ni.) | Xu, Ke-Wei (Xu, Ke-Wei.)

Indexed by:

SCIE Scopus

Abstract:

The formation energy of the mono-vacancy and both the formation energy and binding energy of the di-and tri-vacancy in BCC alkali metals and transition metals have been calculated by using the modified analytical embedded-atom method (MAEAM). The formation energy of each type of configuration of the vacancies in the alkali metals is much lower than that in the transition metals. From minimum of the formation energy or maximum of the binding energy, the favorable configuration of the di-vacancy and tri-vacancy respectively is the first-nearest-neighbor (FN) or second-nearest-neighbor (SN) di-vacancy and the [112] tri-vacancy constructed by two first-and one second-nearest-neighbor vacancies. It is indicated that there is a concentration tendency for vacancies in BCC metals. (c) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.

Keyword:

BCC metals modified analytical embedded-atom method (MAEAM) vacancy

Author Community:

  • [ 1 ] Shaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710062, Shaanxi, Peoples R China
  • [ 2 ] Xian Jiaotong Univ, State Key Lab Mech Behav Mat, Xian 710049, Shaanxi, Peoples R China

Reprint Author's Address:

  • Shaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710062, Shaanxi, Peoples R China.

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Source :

CENTRAL EUROPEAN JOURNAL OF PHYSICS

ISSN: 1895-1082

Year: 2006

Issue: 4

Volume: 4

Page: 481-493

0 . 8 1 1

JCR@2006

0 . 7 6 5

JCR@2016

JCR Journal Grade:4

Cited Count:

WoS CC Cited Count: 11

SCOPUS Cited Count: 15

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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