Correlation between hardness and elastic moduli of the covalent crystals

被引：171

作者：

Jiang, Xue ^{[1
,2
,3
]}

Zhao, Jijun ^{[1
]}

Jiang, Xin ^{[1
,2
,3
,4
]}

机构：

[1] Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Electron Beams, Dalian 116024, Peoples R China

[2] Dalian Univ Technol, Coll Adv Sci & Technol, Dalian 116024, Peoples R China

[3] Dalian Univ Technol, Sch Mat Sci & Engn, Dalian 116024, Peoples R China

[4] Univ Siegen, Inst Mat Engn, D-57076 Siegen, Germany

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2011年 / 50卷 / 07期

关键词：

Hardness; Shear modulus; Young's modulus; Novel superhard compounds; SUPERHARD MATERIALS; MECHANICAL-PROPERTIES; NITRIDE; BORON; NANOINDENTATION; ALMGB14; SEARCH; FILMS; ZNO;

D O I：

10.1016/j.commatsci.2011.01.043

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

From a statistical manner, we collected and correlated experimental bulk (B), shear (G), Young's modulus (E), and ductility (G/B) with Vickers hardness (H(v)) for a number of covalent materials and fitted quantitative and simple H(v)-G and H(v)-E relationships. Using these experimental formulas and our first-principles calculations, we further predicted the microhardness of some novel potential hard/superhard covalent compounds (BC(2)N, AlMgB(14), TiO(2), ReC, and PtN(2)). It was found that none of them are superhard materials (H(v) >= 40 GPa) except BC(2)N. The present empirical formula builds up a bridge between Vickers hardness and first-principles calculations that is useful to evaluate and design promising hard/superhard materials. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：2287 / 2290

页数：4

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