Molecular dynamics (MD) simulations were applied to construct a plasticity model, which enables one to simulate deformations of soda-lime silica glass (SLSG) by using continuum methods. To model the plasticity, stress induced by uniaxial and a variety of biaxial deformations was measured by MD simulations. We found that the surfaces of yield and maximum stresses, which are evaluated from the equivalent stress-strain curves, are reasonably represented by the Mohr-Coulomb ellipsoid. Comparing a finite element model using the constructed plasticity model to a large scale atomistic model on a nanoindentation simulation of SLSG reveals that the empirical method is accurate enough to evaluate the SLSG mechanical responses. Furthermore, the effect of ion-exchange on the SLSG plasticity was examined by using MD simulations. As a result, it was demonstrated that the effects of the initial compressive stress on the yield and maximum stresses are anisotropic contrary to our expectations.

中文翻译：

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通过分子动力学模拟研究钠钙硅玻璃的可塑性

应用分子动力学（MD）模拟来构建可塑性模型，该模型使人们能够使用连续介质方法来模拟钠钙硅玻璃（SLSG）的变形。为了模拟可塑性，通过MD模拟测量了由单轴变形和各种双轴变形引起的应力。我们发现，根据等效应力-应变曲线评估的屈服和最大应力表面可以合理地用莫尔-库仑椭球表示。在SLSG的纳米压痕模拟中，将使用构造的可塑性模型的有限元模型与大规模原子模型进行比较表明，经验方法足够准确，可以评估SLSG的机械响应。此外，通过使用MD模拟检查了离子交换对SLSG可塑性的影响。因此，