论文标题
一种在分子静态模拟中施用piola-kirchhoff应激的方法
A Method to Apply Piola-Kirchhoff Stress in Molecular Statics Simulation
论文作者
论文摘要
提出了一种基于力的优化方法，以在分子静脉静脉模拟中应用第一和第二种piola-kirchhoff应力。此方法对于有限变形问题很重要，在这种有限变形问题中，可以使用Piola-Kirchhoff应力更准确地描述原子行为。使用硅作为模型材料对该方法的性能进行测试和验证。
A force-based optimization method is proposed to apply the first and second kind of Piola-Kirchhoff stresses in molecular statics simulation. This method is important for finite deformation problems in which the atomistic behavior can be more accurately described using Piola-Kirchhoff stresses. The performance of the method is tested and validated using Silicon as a model material.
