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通过对非晶态固体中剪切带的模拟来评估无序温度和自由体积理论。

Evaluation of the disorder temperature and free-volume formalisms via simulations of shear banding in amorphous solids.

作者信息

Shi Yunfeng, Katz Michael B, Li Hui, Falk Michael L

机构信息

Materials Science and Engineering, University of Michigan, Ann Arbor, Michigan 48109-2136, USA.

出版信息

Phys Rev Lett. 2007 May 4;98(18):185505. doi: 10.1103/PhysRevLett.98.185505.

DOI:10.1103/PhysRevLett.98.185505
PMID:17501586
Abstract

Molecular dynamics simulations of shear band development over 1000% strain in simple shear are used to test whether the local plastic strain rate is proportional to exp(-1/chi), where chi is a dimensionless quantity related to the disorder temperature or free volume that characterizes the structural state of the glass. Scaling is observed under the assumption that chi is linearly related to the local potential energy per atom. We calculate the potential energy per atom corresponding to absolute zero disorder temperature and the energy needed to create a shear transformation zone.

摘要

利用简单剪切中超过1000%应变的剪切带发展的分子动力学模拟,来检验局部塑性应变率是否与exp(-1/χ)成正比,其中χ是一个与无序温度或自由体积相关的无量纲量,它表征了玻璃的结构状态。在χ与每个原子的局部势能呈线性相关的假设下,观察到了标度关系。我们计算了对应于绝对零无序温度的每个原子的势能以及创建一个剪切转变区所需的能量。

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