Work

Point Defects and Re in L12 Ni3Al: Atomic Studies

Year: 2005

Type: article

Abstract: The point defect properties of L12 Ni3Al are determined by MD with a simple modified analytic EAM model with the basic physical properties of pure constituents Ni and Al. On the basis of the calculated lattice constants, the formation energies of vacancy and antisite are calculated and the defect types are also discussed. The energies of alloying element Re replacing Ni site and Al site in Ni3Al are estimated. The occupational site of Re is found in Al site. The present calculations are in agreement with the experimental value and the theoretical results obtained from other authors.

Source: Materials science forum

DOI: 10.4028/www.scientific.net/msf.475-479.3091

Authors: Xiao Lin Shu, Yu Hu Wang, Hui Qiu Deng, Ying Zhang, Sheng Hua Deng, Chong Yu Wang, Bang Wei Zhang

Institutions: Beihang University, Sinopec (China), Sinopec Beijing Research Institute of Chemical Industry Co., Ltd. (China), Hunan University

Language: English

Topic: Intermetallics and Advanced Alloy Properties

Subfield: Mechanical Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: hybrid

Funder: National Science Foundation

OpenAlex ID: W2084498888

FWCI:

Cites: 9

Cited by: 1

Related to: 10