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Surface energy calculation of the bcc metals by using the MAEAM

✍ Scribed by Yan-Ni Wen; Jian-Min Zhang

Book ID
116374903
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
130 KB
Volume
42
Category
Article
ISSN
0927-0256

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Atomic simulation of the vacancies in BC
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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