作者
Byeong-Joo Lee, Won-Seok Ko, Hyun-Kyu Kim, Eun-Ha Kim
发表日期
2010/12/1
来源
Calphad
卷号
34
期号
4
页码范围
510-522
出版商
Pergamon
简介
Atomistic simulations such as molecular dynamics and Monte Carlo are widely used for understanding the material’s behavior at a more fundamental level, e.g., at the atomic level. However, there still exist limitations in the variety of materials systems, specimen size and simulation time. This article briefly outlines the formalism and performance of the second nearest-neighbor modified embedded-atom method, an interatomic potential formalism applicable to a wide range of materials systems. Recent progresses made to overcome the inherent size and time limitations of atomistic simulations are also introduced along with the challenges still remaining in extending their applicability. Finally, the authors release all the potential parameter sets for elements and alloy systems, and relevant homemade atomistic simulation codes based on the interatomic potential formalism with a user guide.
引用总数
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