Ab initio tensile experiment on a model of an intergranular glassy film in β-Si3N4 with prismatic surfaces

被引：22
|
作者：
Ching, W. Y. [1 ]
Rulis, Paul [1 ]
Ouyang, Lizhi [2 ]
Misra, A. [3 ]
机构：
[1] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA
[2] Tennessee State Univ, Dept Math & Phys, Nashville, TN 37221 USA
[3] Univ Kansas, Dept Civil Environm & Architectural Engn, Lawrence, KS 66045 USA
来源：
APPLIED PHYSICS LETTERS | 2009年 / 94卷 / 05期
关键词：
ab initio calculations; band structure; brittle fracture; ceramics; films; silicon compounds; stress-strain relations; vitreous state; SILICON-NITRIDE CERAMICS; METALS;
D O I：
10.1063/1.3079800
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We report the results of a large-scale ab initio simulation of an intergranular glassy film (IGF) model in beta-Si3N4. It is shown that the stress-strain behavior under uniaxial load in the model with prismatic surfaces and few defective bonds is very different from an earlier IGF model with basal planes. The results are explained by the fundamental electronic structure of the model.
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页数：3
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