Trends in the elastic response of binary early transition metal nitrides

被引：146

作者：

Holec, David ^{[1
]}

Friak, Martin ^{[2
]}

Neugebauer, Joerg ^{[2
]}

Mayrhofer, Paul H. ^{[1
]}

机构：

[1] Univ Leoben, Dept Phys Met & Mat Testing, AT-8700 Leoben, Austria

[2] Max Planck Inst Eisenforsch GmbH, DE-40237 Dusseldorf, Germany

来源：

PHYSICAL REVIEW B | 2012年 / 85卷 / 06期

基金：

奥地利科学基金会;

关键词：

TI-AL-N; MECHANICAL-PROPERTIES; SINGLE-CRYSTAL; AB-INITIO; PHASE-STABILITY; THIN-FILMS; 1ST-PRINCIPLES CALCULATIONS; MOLECULAR-DYNAMICS; THERMAL-PROPERTIES; HARD COATINGS;

D O I：

10.1103/PhysRevB.85.064101

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Motivated by an increasing demand for coherent data that can be used for selecting materials with properties tailored for specific application requirements, we studied elastic response of nine binary early transition metal nitrides (ScN, TiN, VN, YN, ZrN, NbN, LaN, HfN, and TaN) and AlN. In particular, single-crystal elastic constants, Young's modulus in different crystallographic directions, polycrystalline values of shear and Young's moduli, and the elastic anisotropy factor were calculated. Additionally, we provide estimates of the third order elastic constants for the ten binary nitrides.

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页数：9

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