Local structural excitations in model glass systems under applied load

被引：29

作者：

Swayamjyoti, S. ^{[1
]}

Loeffler, J. F. ^{[2
]}

Derlet, P. M. ^{[1
]}

机构：

[1] Paul Scherrer Inst, Condensed Matter Theory Grp, CH-5232 Villigen, Switzerland

[2] ETH, Dept Mat, Lab Met Phys & Technol, CH-8093 Zurich, Switzerland

来源：

PHYSICAL REVIEW B | 2016年 / 93卷 / 14期

基金：

瑞士国家科学基金会;

关键词：

FINDING SADDLE-POINTS; MINIMUM ENERGY PATHS; ELASTIC BAND METHOD; METALLIC GLASSES; DISSOCIATIVE ADSORPTION; DEFORMATION; DYNAMICS; RELAXATION; BEHAVIOR; FIELD;

D O I：

10.1103/PhysRevB.93.144202

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The potential-energy landscape of a model binary Lennard-Jones structural glass is investigated as a function of applied external strain, in terms of how local structural excitations (LSEs) respond to the load. Using the activation relaxation technique and nudged elastic band methods, the evolving structure and barrier energy of such LSEs are studied in detail. For the case of a tensile/compressive strain, the LSE barrier energies generally decrease/increase, whereas under pure shear, it may either increase or decrease resulting in a broadening of the barrier energy distribution. It is found that how a particular LSE responds to an applied strain is strongly controlled by the LSE's far-field internal stress signature prior to loading.

引用

页数：8

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