Atomistic modeling of the Ti-Al binary system
- Atomistic modeling of the Ti-Al binary system
- 정우상; 김영광; 김홍규; 이병주
- Modified embedded-atom method; Atomistic simulation; Ni-based superalloys; Ti-based alloys; Ti?Al binary system
- Issue Date
- Computational materials science
- VOL 119-8
- An interatomic potential for the Ti– Al binary system has been developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. This potential describes fundamental materials properties (structural, thermodynamic, elastic, defect, deformation and thermal properties) of Ti– Al alloys in good agreements with experimental or first-principles data. The transferability and applicability of the present potential to atomic-scale investigations for Ni-based superalloys or Ti– Al based alloys are demonstrated.
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