Coordinate transformation methodology for simulating quasistatic elastoplastic solids
Coordinate transformation methodology for simulating quasistatic elastoplastic solids
复制标题
模拟准静态弹塑性固体的坐标变换方法
DOI：
10.1103/physreve.101.053304
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发表时间：
2020
影响因子：
2.4
通讯作者：
Rycroft, Chris H.
中科院分区：
文献类型：
--
作者：
Boffi, Nicholas M.;Rycroft, Chris H.
分子动力学模拟经常采用周期性边界条件，其中周期性图像的位置被操纵，以便对材料样品施加变形。例如，李-爱德华兹条件使用移动周期性图像来应用简单的剪切。在这里，我们检查的问题，准确比较这种类型的模拟连续固体力学。我们采用了一个准弹塑性力学模型，并开发了一种投影方法来实现准静态平衡。我们引入了一个仿真框架，该框架在参考域上使用固定的笛卡尔计算网格，并通过时间相关的坐标变换向物理域施加变形。作为我们的方法的一个测试案例，我们考虑了剪切带的演变在大块金属玻璃非晶塑性的剪切转变区理论。我们研究了在简单剪切和纯剪切条件下剪切带的生长作为块体金属玻璃初始制备的函数。
Molecular dynamics simulations frequently employ periodic boundary conditions where the positions of the periodic images are manipulated in order to apply deformation to the material sample. For example, Lees-Edwards conditions use moving periodic images to apply simple shear. Here, we examine the problem of precisely comparing this type of simulation to continuum solid mechanics. We employ a hypoelastoplastic mechanical model, and develop a projection method to enforce quasistatic equilibrium. We introduce a simulation framework that uses a fixed Cartesian computational grid on a reference domain, and which imposes deformation via a time-dependent coordinate transformation to the physical domain. As a test case for our method, we consider the evolution of shear bands in a bulk metallic glass using the shear transformation zone theory of amorphous plasticity. We examine the growth of shear bands in simple shear and pure shear conditions as a function of the initial preparation of the bulk metallic glass.