Atomistic Modeling for Interfacial Properties of Ni-Al-V Ternary System

Title
Atomistic Modeling for Interfacial Properties of Ni-Al-V Ternary System
Authors
Wei-ping DongByeong-Joo LeeChen Zheng
Keywords
alloys; solutionization; segregation; computer simulation; interfacial properties
Issue Date
2014-05
Publisher
Metals and Materials International
Citation
VOL 20, NO 3, 423-429
Abstract
Interatomic potentials for Ni-Al-V ternary systems have been developed based on the second-nearest-neighbor modified embedded-atom method potential formalism. The potentials can describe various fundamental physical properties of the relevant materials in good agreement with experimental information. The potential is utilized for an atomistic computation of interfacial properties of Ni-Al-V alloys. It is found that vanadium atoms segregate on the γ-fcc/L12 interface and this segregation affects the interfacial properties. The applicability of the atomistic approach to an elaborate alloy design of advanced Ni-based superalloys through the investigation of the effect of alloying elements on interfacial properties is discussed.
URI
http://pubs.kist.re.kr/handle/201004/48577
ISSN
15989623
Appears in Collections:
KIST Publication > Article
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