【摘要】 本文用计算机制作的模拟Ni₆₄B₃₆非晶态合金的结构模型作为初始位形,分别在自由边界、固定边界、周期边界和准动态平衡边界条件下,用不同于以往的松弛方法进行了能量极小化计算。通过分析和对比松弛前后各模型的各种结构参数的变化,讨论了各类边界条件对松弛模型结构的影响。更多还原

【Abstract】 The model that we have made to simulate the structure of Ni64B36 is taken as the primary configuration. This configuration is then subjected to relaxation under the free boundary, the confined boundary, the periodic boundary and the quasi-dynamical equilibrium boundary through the Morse potential. The energy minimisation method used here is different from that usually taken by other authors in some respects. By comparing and analysing the change of some structure parameters in relaxation, the influence of each kind of boundary on the structure of the model is discussed.更多还原