The Construction and Application of Interatomic Potential in FeAl Alloy by the Finnis-Sinclair Many-Body Potential Model

Autor:	Yue Hua Wang, Zhong Hai Zhai, Yan Xia Liu, Zhi Yong Wang, Xun Wang, Ya Na Shan
Rok vydání:	2012
Předmět:	Materials science Thermodynamic equilibrium Metallurgy Alloy Binding energy General Engineering engineering Thermodynamics FEAL Interatomic potential engineering.material Many body
Zdroj:	Advanced Materials Research. :1596-1601
ISSN:	1662-8985
Popis:	The Finnis-Sinclair many-body potential model was utilized to construct the interatomic potential function in B2 type FeAl alloy at equilibrium state. According to the model, the binding energy, the elastic constants C11, C12 and C44 were calculated, and the results agree well with the experimental results. The formation energy of different defects, such as monovacancy and anti-site, in the B2 FeAl alloy were also studied.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::823cb1ffc342859b6038191247f3e90d https://doi.org/10.4028/www.scientific.net/amr.557-559.1596 Zobrazit plný text záznamu