First principles investigation on the stability and elastic properties of Ni2Cr1-xMx (M = Nb, Mo, Ta, and W) superlattices

R. Hu; G. M. Cheng; J. Q. Zhang; J. S. Li; T. B. Zhang; H. Z. Fu

doi:10.1016/j.intermet.2012.09.017

First principles investigation on the stability and elastic properties of Ni₂Cr_1-xM_x (M = Nb, Mo, Ta, and W) superlattices

R. Hu, G. M. Cheng, J. Q. Zhang, J. S. Li, T. B. Zhang, H. Z. Fu

School of Materials Sience and Engineering

Northwestern Polytechnical University Xian

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

21 Scopus citations

Abstract

Ni₂Cr-type superlattices widely exist in Ni-Cr based and Ni-Mo based alloys. This work focus on the alloying behavior of M (M = Nb, Mo, Ta, and W) in Ni₂Cr_1-xM_x superlattices and their electronic structures by first principles calculations based on the density functional theory. The energetic stability and elastic properties are studied by calculating the formation energy, cohesive energy, and independent elastic constants. The results reveal that all the studied alloying elements could not only improve the thermal stability of Ni₂Cr superlattice but also modify its elastic anisotropy within the studied alloying range (that is, x ≤ 0.15).

Original language	English
Pages (from-to)	60-66
Number of pages	7
Journal	Intermetallics
Volume	33
DOIs	https://doi.org/10.1016/j.intermet.2012.09.017
State	Published - Feb 2013

Keywords

A. Intermetallics, miscellaneous
B. Alloy design
B. Elastic properties
B. Thermal stability
E. Ab-initio calculations

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10.1016/j.intermet.2012.09.017

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title = "First principles investigation on the stability and elastic properties of Ni2Cr1-xMx (M = Nb, Mo, Ta, and W) superlattices",

abstract = "Ni2Cr-type superlattices widely exist in Ni-Cr based and Ni-Mo based alloys. This work focus on the alloying behavior of M (M = Nb, Mo, Ta, and W) in Ni2Cr1-xMx superlattices and their electronic structures by first principles calculations based on the density functional theory. The energetic stability and elastic properties are studied by calculating the formation energy, cohesive energy, and independent elastic constants. The results reveal that all the studied alloying elements could not only improve the thermal stability of Ni2Cr superlattice but also modify its elastic anisotropy within the studied alloying range (that is, x ≤ 0.15).",

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author = "R. Hu and Cheng, {G. M.} and Zhang, {J. Q.} and Li, {J. S.} and Zhang, {T. B.} and Fu, {H. Z.}",

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month = feb,

doi = "10.1016/j.intermet.2012.09.017",

language = "英语",

volume = "33",

pages = "60--66",

journal = "Intermetallics",

issn = "0966-9795",

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TY - JOUR

T1 - First principles investigation on the stability and elastic properties of Ni2Cr1-xMx (M = Nb, Mo, Ta, and W) superlattices

AU - Hu, R.

AU - Cheng, G. M.

AU - Zhang, J. Q.

AU - Li, J. S.

AU - Zhang, T. B.

AU - Fu, H. Z.

PY - 2013/2

Y1 - 2013/2

N2 - Ni2Cr-type superlattices widely exist in Ni-Cr based and Ni-Mo based alloys. This work focus on the alloying behavior of M (M = Nb, Mo, Ta, and W) in Ni2Cr1-xMx superlattices and their electronic structures by first principles calculations based on the density functional theory. The energetic stability and elastic properties are studied by calculating the formation energy, cohesive energy, and independent elastic constants. The results reveal that all the studied alloying elements could not only improve the thermal stability of Ni2Cr superlattice but also modify its elastic anisotropy within the studied alloying range (that is, x ≤ 0.15).

AB - Ni2Cr-type superlattices widely exist in Ni-Cr based and Ni-Mo based alloys. This work focus on the alloying behavior of M (M = Nb, Mo, Ta, and W) in Ni2Cr1-xMx superlattices and their electronic structures by first principles calculations based on the density functional theory. The energetic stability and elastic properties are studied by calculating the formation energy, cohesive energy, and independent elastic constants. The results reveal that all the studied alloying elements could not only improve the thermal stability of Ni2Cr superlattice but also modify its elastic anisotropy within the studied alloying range (that is, x ≤ 0.15).

KW - A. Intermetallics, miscellaneous

KW - B. Alloy design

KW - B. Elastic properties

KW - B. Thermal stability

KW - E. Ab-initio calculations

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DO - 10.1016/j.intermet.2012.09.017

M3 - 文章

AN - SCOPUS:84870297998

SN - 0966-9795

VL - 33

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EP - 66

JO - Intermetallics

JF - Intermetallics

ER -

First principles investigation on the stability and elastic properties of Ni₂Cr_1-xM_x (M = Nb, Mo, Ta, and W) superlattices

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Keywords

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