论文部分内容阅读
由三维Mobius反演变换所得的金属Nd原子和H原子间的相互作用势和组合规则的方法得到的Nd H原子间的相互作用势 ,利用正则系统分子动力学算法研究了在一定加载应力强度因子K =0 .6MPam下 ,氢在Nd晶体中的行为。模拟结果表明 ,氢在Nd晶体裂尖富集成许多氢原子团或氢气团。这可用来部分地解释NdFeB稀土永磁体吸氢后的氢爆行为。
The interaction potential between Nd atoms and H atoms obtained by the three-dimensional Mobius inversion and the interaction potential between Nd atoms obtained by the combined rule method were studied by using the regular system molecular dynamics algorithm. Under the condition of a certain loading stress intensity factor The behavior of hydrogen in Nd crystals at K = 0.6 MPam. The simulation results show that hydrogen is enriched into many hydrogen radicals or hydrogen radicals at the crack tip of Nd crystal. This can be used to partially explain the hydrogen explosion behavior of NdFeB rare earth permanent magnets after their hydrogen absorption.