Second-nearest-neighbor modified embedded-atom method interatomic potential for V-M (M = Cu, Mo, Ti) binary systems
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SCOPUS
- Title
- Second-nearest-neighbor modified embedded-atom method interatomic potential for V-M (M = Cu, Mo, Ti) binary systems
- Authors
- Wang, J.; Lee, B.-J.
- Date Issued
- 2021-02-15
- Publisher
- ELSEVIER
- Abstract
- Interatomic potentials for V-M (M = Cu, Mo, Ti) binary systems have been developed within the framework of the second-nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials reproduce a wide range of fundamental material properties such as thermodynamic and structural properties of compound and solution phases in reasonable agreement with experimental data or CALPHAD and first-principles calculations. The reasonable reproduction of material properties implies that the potentials can be combined with those of V-H and M-H systems for a permeability study of hydrogen in vanadium alloys or can be extended for further development of V-containing ternary system potentials.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/105164
- DOI
- 10.1016/j.commatsci.2020.110177
- ISSN
- 0927-0256
- Article Type
- Article
- Citation
- COMPUTATIONAL MATERIALS SCIENCE, vol. 188, 2021-02-15
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- There are no files associated with this item.
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