By employing atomistic simulation, we investigated the deformation mechanism of the Zr-ZrH₂ bi-crystal pillar containing coherent the Zr-ZrH₂ interface under uniaxial compressive loading. The plastic deformation of the bi-crystalline sample first commences in the Zr part with tension twinning, followed by dislocation nucleation on the basal planes of the twinned area. Then plasticity transfers to ZrH₂ with the assistance of lateral dislocation pile-up at the Zr side of the coherent Zr-ZrH₂ interface, which promotes dislocation nucleation on <100>{001} slip system in ZrH₂ side. The proposed deformation mechanism sheds light on the deformation behavior of inter-granular and trans-granular hydrides in the Zr matrix.

通过采用原子模拟中，我们调查了Zr的ZRH的变形机构₂包含相干的Zr的ZRH双晶支柱₂在单轴压缩载荷接口。双晶样品的塑性变形首先在Zr部分开始于张力孪晶，然后在孪晶区域的基面上产生位错形核。然后可塑性转移到ZRH ₂与横向错位堆积中的所述相干的Zr-ZRH的锆侧的援助₂接口，其促进位错成核上<100> {001}滑移系统中ZRH ₂侧。所提出的变形机理揭示了Zr基体中颗粒间和跨颗粒氢化物的变形行为。