Atomistic simulation of the mechanical properties of β-SiC based on the first-principles

被引：9

作者：

Zhang, Renhui ^{[1
]}

Leng, Senlin ^{[1
]}

Yang, Yingchang ^{[1
]}

Shi, Wei ^{[1
]}

Lu, Zhibin ^{[2
]}

机构：

[1] Tongren Univ, Sch Mat & Chem Engn, Res Ctr Mat & Chem Engn, Tongren 554300, Peoples R China

[2] Lanzhou Inst Chem Phys, Lanzhou 730000, Peoples R China

来源：

PHYSICA B-CONDENSED MATTER | 2017年 / 512卷

基金：

中国国家自然科学基金;

关键词：

Stress and strain; First-principles; beta-SiC; Mechanical properties; Deformation; Energy; TRIBOLOGICAL PROPERTIES; ELECTRONIC-PROPERTIES; RUTILE TIO2; COMPOSITES; STRENGTH; ELASTICITY; STABILITY; CERAMICS; FRICTION; BEHAVIOR;

D O I：

10.1016/j.physb.2017.02.014

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

On the basis of the pseudopotential plane-wave method and the local-density-functional theory, this work studied the energetics and stress-strain relationship of beta-SiC, where uniform uniaxial compression and tension were considered along (001), (110) and (111) planes. The calculated results were in consistence with the experimental data. The present work should be conducive to understanding the mechanical property of beta-SiC.

引用

页码：1 / 5

页数：5

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