Mechanical properties and spinodal decomposition of TixAl1-x-yZryN coatings

Aijun Wang; Mingzhi He; Rui Zhang; Yong Du; Deliang Chen; Bingbing Fan; Shun Li Shang; Zi Kui Liu

doi:10.1016/j.physleta.2015.06.047

Mechanical properties and spinodal decomposition of Ti_xAl_1-x-yZr_yN coatings

Aijun Wang
, Mingzhi He
, Rui Zhang
, Yong Du
, Deliang Chen
, Bingbing Fan
, Shun Li Shang
, Zi Kui Liu

Materials Science and Engineering

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

3 Scopus citations

Abstract

Abstract A 64-atom special quasirandom structure (SQS) has been employed to model the A_0.5B_0.25C_0.25D, i.e., the Ti_xAl_{1 - x - y}Zr_yN with x=0.5 and y=0.25, coating alloys in rock salt structure. Elastic constants are calculated by an efficient stress-strain method. The presence of Zr in Ti_xAl_{1 - x - y}Zr_yN weakens the directional (covalent) nature of the nearest bonds and decreases the hardness of coatings. Additionally, the increase of Zr content changes Zener's elastic anisotropy ratio (A) from (A>1) to (A<1), resulting in the alteration of spinodal decomposition from <100> to <111> direction.

Original language	English (US)
Article number	23297
Pages (from-to)	2037-2040
Number of pages	4
Journal	Physics Letters, Section A: General, Atomic and Solid State Physics
Volume	379
Issue number	36
DOIs	https://doi.org/10.1016/j.physleta.2015.06.047
State	Published - Jul 14 2015

All Science Journal Classification (ASJC) codes

General Physics and Astronomy

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10.1016/j.physleta.2015.06.047

Cite this

@article{797e8049652648cf9bd7e87f34c5f348,

title = "Mechanical properties and spinodal decomposition of TixAl1-x-yZryN coatings",

abstract = "Abstract A 64-atom special quasirandom structure (SQS) has been employed to model the A0.5B0.25C0.25D, i.e., the TixAl1 - x - yZryN with x=0.5 and y=0.25, coating alloys in rock salt structure. Elastic constants are calculated by an efficient stress-strain method. The presence of Zr in TixAl1 - x - yZryN weakens the directional (covalent) nature of the nearest bonds and decreases the hardness of coatings. Additionally, the increase of Zr content changes Zener's elastic anisotropy ratio (A) from (A>1) to (A<1), resulting in the alteration of spinodal decomposition from <100> to <111> direction.",

author = "Aijun Wang and Mingzhi He and Rui Zhang and Yong Du and Deliang Chen and Bingbing Fan and Shang, \{Shun Li\} and Liu, \{Zi Kui\}",

note = "Publisher Copyright: {\textcopyright} 2015 Elsevier B.V.",

year = "2015",

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day = "14",

doi = "10.1016/j.physleta.2015.06.047",

language = "English (US)",

volume = "379",

pages = "2037--2040",

journal = "Physics Letters, Section A: General, Atomic and Solid State Physics",

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publisher = "Elsevier B.V.",

number = "36",

}

TY - JOUR

T1 - Mechanical properties and spinodal decomposition of TixAl1-x-yZryN coatings

AU - Wang, Aijun

AU - He, Mingzhi

AU - Zhang, Rui

AU - Du, Yong

AU - Chen, Deliang

AU - Fan, Bingbing

AU - Shang, Shun Li

AU - Liu, Zi Kui

PY - 2015/7/14

Y1 - 2015/7/14

N2 - Abstract A 64-atom special quasirandom structure (SQS) has been employed to model the A0.5B0.25C0.25D, i.e., the TixAl1 - x - yZryN with x=0.5 and y=0.25, coating alloys in rock salt structure. Elastic constants are calculated by an efficient stress-strain method. The presence of Zr in TixAl1 - x - yZryN weakens the directional (covalent) nature of the nearest bonds and decreases the hardness of coatings. Additionally, the increase of Zr content changes Zener's elastic anisotropy ratio (A) from (A>1) to (A<1), resulting in the alteration of spinodal decomposition from <100> to <111> direction.

AB - Abstract A 64-atom special quasirandom structure (SQS) has been employed to model the A0.5B0.25C0.25D, i.e., the TixAl1 - x - yZryN with x=0.5 and y=0.25, coating alloys in rock salt structure. Elastic constants are calculated by an efficient stress-strain method. The presence of Zr in TixAl1 - x - yZryN weakens the directional (covalent) nature of the nearest bonds and decreases the hardness of coatings. Additionally, the increase of Zr content changes Zener's elastic anisotropy ratio (A) from (A>1) to (A<1), resulting in the alteration of spinodal decomposition from <100> to <111> direction.

UR - https://www.scopus.com/pages/publications/84937642839

UR - https://www.scopus.com/pages/publications/84937642839#tab=citedBy

U2 - 10.1016/j.physleta.2015.06.047

DO - 10.1016/j.physleta.2015.06.047

M3 - Article

AN - SCOPUS:84937642839

SN - 0375-9601

VL - 379

SP - 2037

EP - 2040

JO - Physics Letters, Section A: General, Atomic and Solid State Physics

JF - Physics Letters, Section A: General, Atomic and Solid State Physics

IS - 36

M1 - 23297

ER -

Mechanical properties and spinodal decomposition of Ti_xAl_1-x-yZr_yN coatings

Abstract

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