Site preference of transition metal elements in Ni3Al

Chao Jiang; Brian Gleeson

doi:10.1016/j.scriptamat.2006.05.016

Site preference of transition metal elements in Ni₃Al

Chao Jiang, Brian Gleeson

Nuclear Science & Technology

Research output: Contribution to journal › Article › peer-review

147 Scopus citations

Abstract

Using the Wagner-Schottky model in combination with first-principles supercell calculations, we performed a detailed study of the site occupancy behavior of 3d (Ti-Cu), 4d (Zr-Ag) and 5d (Hf-Au) transition metal elements in L1₂ Ni₃Al as a function of both alloy composition and temperature.

Original language	English
Pages (from-to)	433-436
Number of pages	4
Journal	Scripta Materialia
Volume	55
Issue number	5
DOIs	https://doi.org/10.1016/j.scriptamat.2006.05.016
State	Published - Sep 2006

Keywords

First-principle electron theory
Nickel aluminides
Point defects
Site preference
Transition metals

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10.1016/j.scriptamat.2006.05.016

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title = "Site preference of transition metal elements in Ni3Al",

abstract = "Using the Wagner-Schottky model in combination with first-principles supercell calculations, we performed a detailed study of the site occupancy behavior of 3d (Ti-Cu), 4d (Zr-Ag) and 5d (Hf-Au) transition metal elements in L12 Ni3Al as a function of both alloy composition and temperature.",

keywords = "First-principle electron theory, Nickel aluminides, Point defects, Site preference, Transition metals",

author = "Chao Jiang and Brian Gleeson",

note = "Funding Information: This work was supported by the Office of Naval Research, contract number N00014-02-1-0733.",

year = "2006",

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AU - Jiang, Chao

AU - Gleeson, Brian

N1 - Funding Information: This work was supported by the Office of Naval Research, contract number N00014-02-1-0733.

PY - 2006/9

Y1 - 2006/9

N2 - Using the Wagner-Schottky model in combination with first-principles supercell calculations, we performed a detailed study of the site occupancy behavior of 3d (Ti-Cu), 4d (Zr-Ag) and 5d (Hf-Au) transition metal elements in L12 Ni3Al as a function of both alloy composition and temperature.

AB - Using the Wagner-Schottky model in combination with first-principles supercell calculations, we performed a detailed study of the site occupancy behavior of 3d (Ti-Cu), 4d (Zr-Ag) and 5d (Hf-Au) transition metal elements in L12 Ni3Al as a function of both alloy composition and temperature.

KW - First-principle electron theory

KW - Nickel aluminides

KW - Point defects

KW - Site preference

KW - Transition metals

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DO - 10.1016/j.scriptamat.2006.05.016

M3 - Article

AN - SCOPUS:33746939871

SN - 1359-6462

VL - 55

SP - 433

EP - 436

JO - Scripta Materialia

JF - Scripta Materialia

IS - 5

ER -

Site preference of transition metal elements in Ni₃Al

Abstract

Keywords

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