A modified embedded-atom method interatomic potential for indium
SCIE
SCOPUS
- Title
- A modified embedded-atom method interatomic potential for indium
- Authors
- Do, EC; Shin, YH; Lee, BJ
- Date Issued
- 2008-03
- Publisher
- PERGAMON-ELSEVIER SCIENCE LTD
- Abstract
- A semi-empirical interatomic potential for indium has been developed based on the MEAM (modified embedded-atom method) formalism. The potential describes various fundamental physical properties (cohesive energy, lattice parameters, elastic constants, structural energy differences, surface energy and relaxation, vacancy formation and diffusion energy, etc.) of indium in good agreement with relevant experimental data and/or first-principles calculations. The potential also describes bulk properties of non-equilibrium structures (fee and bcc) of indium in good agreement with first-principles calculations. Because the potential formalism is exactly the same as other previously developed MEAM potentials for a wide range of elements, it can be easily extended to multi-component systems such as In-N, In-As, Ga-In and Ga-In-N. (C) 2007 Elsevier Ltd. All rights reserved.
- Keywords
- semi-empirical interatomic potential; modified embedded-atom method; atomistic simulation; indium; MOLECULAR-DYNAMICS SIMULATION; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; FE-C SYSTEM; ELASTIC PROPERTIES; METALS; SILICON; IMPURITIES; TRANSITION; GERMANIUM
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/108093
- DOI
- 10.1016/j.calphad.2007.08.004
- ISSN
- 0364-5916
- Article Type
- Article
- Citation
- CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, vol. 32, no. 1, page. 82 - 88, 2008-03
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