利用分子动力学模拟的方法，本文完成了Pd55Ni45合金熔体在高压条件下、快冷过程中，局部结构演化和非晶形成能力的模拟研究。在压力作用下，形成非晶的临界冷却速率明显下降。随着压力的增大，得到的二元Pd55Ni45非晶合金体系的微观结构以理想二十面体为主，而非大多数非晶合金中的缺陷二十面体，这是高压对非晶形成过程影响的一个主要原因。
Investigation of the local structure evolution and the glass formation in the Pd55Ni45 alloy melt rapidly cooled under high pressures is performed using molecular-dynamics simulations. The critical cooling rates for glass formation are reduced apparently with the pressure. With the increase of pressures, a more compacted local structure with more ideal icosahedra than defected icosahedra is obtained, which may possibly be one of the main factors for the contribution of the high pressure to the glass formation.
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