期刊
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
卷 34, 期 4, 页码 510-522出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.calphad.2010.10.007
关键词
Atomistic simulation; Modified embedded-atom method; Interatomic potential; Multi scale simulation; Hybrid simulation
类别
资金
- Ministry of Knowledge Economy Korea
- Pohang Steel Company (POSCO)
- Korea Evaluation Institute of Industrial Technology (KEIT) [K0001343] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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 (C) 2010 Elsevier Ltd All rights reserved
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据