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2006 | 4 | 4 | 481-493
Tytuł artykułu

Atomic simulation of the vacancies in BCC metals with MAEAM

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
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.
Wydawca

Czasopismo
Rocznik
Tom
4
Numer
4
Strony
481-493
Opis fizyczny
Daty
wydano
2006-12-01
online
2006-12-01
Twórcy
  • College of Physics and Information Technology, Shaanxi Normal University, Xian, 710062, Shaanxi, PR China, jianm_zhang@yahoo.com
autor
  • College of Physics and Information Technology, Shaanxi Normal University, Xian, 710062, Shaanxi, PR China
autor
  • State Key Laboratory for Mechanical Behavior of Materials, Xian Jiaotong University, Xian, 710049, Shaanxi, PR China
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-006-0028-8
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