Nanotwins soften boron-rich boron carbide (B13C2)

被引：34

作者：

An, Qi ^{[1
,2
,3
]}

Goddard, William A., III ^{[1
]}

机构：

[1] CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA

[2] Univ Nevada, Dept Chem & Mat Engn, Reno, NV 89557 USA

[3] Univ Nevada, Nevada Inst Sustainabil, Reno, NV 89557 USA

来源：

APPLIED PHYSICS LETTERS | 2017年 / 110卷 / 11期

基金：

美国国家科学基金会;

关键词：

TOTAL-ENERGY CALCULATIONS; AMORPHOUS SHEAR BANDS; WAVE BASIS-SET; MECHANICAL-PROPERTIES; SUBOXIDE; METALS;

D O I：

10.1063/1.4978644

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Extensive studies of metals and alloys have observed that nanotwins lead to strengthening, but the role of nanotwins in ceramics is not well established. We compare here the shear strength and the deformation mechanism of nanotwinned boron-rich boron carbide (B13C2) with the perfect crystal under both pure shear and biaxial shear deformations. We find that the intrinsic shear strength of crystalline B13C2 is higher than that of crystalline boron carbide (B4C). But nanotwins in B13C2 lower the strength, making it softer than crystalline B4C. This reduction in strength of nanotwinned B13C2 arises from the interaction of the twin boundary with the C-B-C chains that connect the B-12 icosahedra. Published by AIP Publishing.

引用

页数：4

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