Abstract A phase-field model for describing dynamic interactions between deformation twins and grain boundaries in a hexagonal close packed (HCP) metal is established. It is applied to simulating the coupled evolution mechanisms of grains and twins in magnesium (Mg) by probing the transmission of { 10 1 ¯ 2 } deformation twins across grain boundaries. We analyze the effect of the strain relaxation near a grain boundary, which is related to the geometric compatibility arising from the misorientation angle between adjoining grains. Phase-field simulations demonstrate that twin transmission across a grain boundary into a neighboring grain leads to grain boundary migration towards the neighboring grain with a reduced grain boundary width. The preferred nucleation site of new twin variant in the neighboring grain is related to the elastic interaction energy distribution. These predicted transmission behaviors agree well with existing experimental observations and molecular dynamics simulations. By analyzing set of systematic phase-field simulation results, we establish a rotation-angle-related twin variant selection rule for analyzing the transmission of { 10 1 ¯ 2 } deformation twins across grain boundaries in Mg and its alloys.

中文翻译：

---

六方晶系变形双晶界相互作用的相场模型

摘要 建立了描述六方密堆积(HCP)金属变形孪晶与晶界动态相互作用的相场模型。它通过探测 {10 1 ¯ 2 } 变形孪晶跨晶界的传输，用于模拟镁 (Mg) 中晶粒和孪晶的耦合演化机制。我们分析了晶界附近应变松弛的影响，这与相邻晶粒之间的错误取向角引起的几何相容性有关。相场模拟表明，孪晶穿过晶界进入相邻晶粒导致晶界向相邻晶粒迁移，并具有减小的晶界宽度。相邻晶粒中新孪晶变体的优选成核位点与弹性相互作用能分布有关。这些预测的传输行为与现有的实验观察和分子动力学模拟非常吻合。通过对一组系统相场模拟结果的分析，我们建立了与旋转角相关的孪晶变体选择规则，用于分析镁及其合金中{10 1 ¯ 2 }变形孪晶跨晶界的传输。