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剪切二氧化硅玻璃中的空洞变形与破裂

Void deformation and breakup in shearing silica glass.

作者信息

Chen Yi-Chun, Nomura Ken-ichi, Kalia Rajiv K, Nakano Aiichiro, Vashishta Priya

机构信息

Department of Physics and Astronomy, Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, California 90089-0242, USA.

出版信息

Phys Rev Lett. 2009 Jul 17;103(3):035501. doi: 10.1103/PhysRevLett.103.035501. Epub 2009 Jul 16.

Abstract

We study shear deformation and breakup of voids in silica glass using molecular dynamics simulations. With an increase in the shear strain, two kinds of defects--threefold-coordinated silicon and nonbridging oxygen atoms--appear as spherical voids deform elastically into ellipsoidal shapes. For shear strains epsilon>15%, nanocracks appear on void surfaces and voids deform plastically into a threadlike structure. Nanocracks are nucleated by the migration of threefold-coordinated Si and nonbridging O on -Si-O-Si-O- rings. For epsilon>40%, the threadlike structures break up into several fragments.

摘要

我们使用分子动力学模拟研究了石英玻璃中空洞的剪切变形和破裂。随着剪切应变的增加,当球形空洞弹性变形为椭圆形时,会出现两种缺陷——三配位硅和非桥连氧原子。当剪切应变ε>15%时,空洞表面会出现纳米裂纹,空洞会塑性变形为丝状结构。纳米裂纹是由三配位硅和非桥连氧在-Si-O-Si-O-环上的迁移而形成的。当ε>40%时,丝状结构会分裂成几个碎片。

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