An ab initio investigation of the effect of alloying elements on the elastic properties and magnetic behavior of Ni3Al

Aakash Kumar; Aleksandr V. Chernatynskiy; Minki Hong; Simon R. Phillpot; Susan Sinnott

doi:10.1016/j.commatsci.2015.01.007

An ab initio investigation of the effect of alloying elements on the elastic properties and magnetic behavior of Ni₃Al

Aakash Kumar
, Aleksandr V. Chernatynskiy
, Minki Hong
, Simon R. Phillpot
, Susan Sinnott

Physics

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

Original language	English
Pages (from-to)	39-46
Number of pages	8
Journal	Computational Materials Science
Volume	101
DOIs	https://doi.org/10.1016/j.commatsci.2015.01.007
State	Published - Apr 15 2015

ASJC Scopus Subject Areas

General Computer Science
General Chemistry
General Materials Science
Mechanics of Materials
General Physics and Astronomy
Computational Mathematics

Keywords

Bulk modulus
Defect formation energy
Density functional theory
Dopants
Elastic constants
Ni-based superalloys
NiAl

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10.1016/j.commatsci.2015.01.007

Cite this

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title = "An ab initio investigation of the effect of alloying elements on the elastic properties and magnetic behavior of Ni3Al",

keywords = "Bulk modulus, Defect formation energy, Density functional theory, Dopants, Elastic constants, Ni-based superalloys, NiAl",

author = "Aakash Kumar and Chernatynskiy, \{Aleksandr V.\} and Minki Hong and Phillpot, \{Simon R.\} and Susan Sinnott",

year = "2015",

month = apr,

day = "15",

doi = "10.1016/j.commatsci.2015.01.007",

language = "English",

volume = "101",

pages = "39--46",

journal = "Computational Materials Science",

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T1 - An ab initio investigation of the effect of alloying elements on the elastic properties and magnetic behavior of Ni3Al

AU - Kumar, Aakash

AU - Chernatynskiy, Aleksandr V.

AU - Hong, Minki

AU - Phillpot, Simon R.

AU - Sinnott, Susan

PY - 2015/4/15

Y1 - 2015/4/15

KW - Bulk modulus

KW - Defect formation energy

KW - Density functional theory

KW - Dopants

KW - Elastic constants

KW - Ni-based superalloys

KW - NiAl

UR - https://www.scopus.com/pages/publications/84922251962

UR - https://www.scopus.com/pages/publications/84922251962#tab=citedBy

U2 - 10.1016/j.commatsci.2015.01.007

DO - 10.1016/j.commatsci.2015.01.007

M3 - Article

SN - 0927-0256

VL - 101

SP - 39

EP - 46

JO - Computational Materials Science

JF - Computational Materials Science

ER -

An ab initio investigation of the effect of alloying elements on the elastic properties and magnetic behavior of Ni₃Al

ASJC Scopus Subject Areas

Keywords

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