标题： 位错与晶界相互作用的相场位错动力学研究 显示英文标题

标题： Phase field dislocation dynamics study of grain boundary-dislocation interactions

摘要： 一种新的相场位错动力学公式被提出，该公式耦合了微观力学求解器和时间依赖的Ginzburg-Landau方程。 晶界（GB）-位错相互作用通过将晶界描述为夹杂物来研究。 晶界特性从分子静力学模拟中计算得出，并在计算中考虑了额外的总能量贡献，该贡献考虑了晶界能。 研究了螺位错与低角度和高角度$\langle$110$\rangle$对称倾斜晶界的最低能量和亚稳态之间的相互作用。 我们展示了我们的相场位错动力学公式预测与晶界-位错相互作用的分子动力学模拟之间有良好的一致性。 显示英文摘要

摘要： A new phase field dislocation dynamics formulation is presented, which couples micromechanical solvers and the time-dependent Ginzburg-Landau equation. Grain boundary (GB)-dislocation interactions are studied by describing GBs as inclusions. Grain boundary properties are computed from Molecular Statics simulations and an additional contribution to the total energy that takes into account the GB energy is considered in the calculations. Interaction of a screw dislocation with minimum energy and metastable states of low and high angle $\langle$110$\rangle$ symmetric tilt grain boundaries are studied. We show good agreement between predictions from our phase field dislocation dynamics formulation and molecular dynamics simulations of grain boundary-dislocation interactions.