Atomistic modeling of the Ti-Al binary system

Title
Atomistic modeling of the Ti-Al binary system
Authors
정우상김영광김홍규이병주
Keywords
Modified embedded-atom method; Atomistic simulation; Ni-based superalloys; Ti-based alloys; Ti?Al binary system
Issue Date
2016-06
Publisher
Computational materials science
Citation
VOL 119-8
Abstract
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.
URI
http://pubs.kist.re.kr/handle/123456789/64735
ISSN
0927-0256
Appears in Collections:
KIST Publication > Article
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