Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1559232 | Calphad | 2010 | 13 Pages |
Abstract
Atomistic simulations such as molecular dynamics and Monte Carlo are widely used for understanding the material behavior at a more fundamental level, e.g., at the atomic level. However, there still exist limitations in the variety of material 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.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Byeong-Joo Lee, Won-Seok Ko, Hyun-Kyu Kim, Eun-Ha Kim,