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用分子动力学模拟在1000K温度下单晶钨在单轴应变的情形下断裂和氢对钨断裂的影响。结果表明:{100}面的辟裂比{110}面要容易。{100}面的辟裂与裂纹尖端的取向有关,模拟结果与低温下的实验结果符合得比较好。{110}面<111>方向的断裂不是辟裂方式。切应变的模拟结果也与实验相符。氢的加入对裂纹尖端影响比较大,能显著降低应力。
Molecular dynamics simulation of single-crystal tungsten at 1000K ruptures under uniaxial strain and the effect of hydrogen on tungsten rupture. The results show that the {100} plane is easier to break than the {110} plane. The breakage of the {100} plane is related to the crack tip orientation. The simulation results are in good agreement with the experimental results at low temperatures. The fracture in the {110} plane <111> direction is not a fracture mode. The simulation results of shear strain are also consistent with the experiment. The addition of hydrogen has a greater impact on the crack tip and can significantly reduce the stress.