利用分子动力学模拟方法,模拟了高压对PdssNi45合金非晶形成能力及快冷过程中局部结构的影响.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,在相同的冷却速率下,体系中形成的团簇更多的是理想二十面体结构,不是缺陷二十面体结构.
The glass formation and the local structure of the rapidly cooled Pd55Ni45 alloy melt under high pressures are simulated by using molecular-dynamics method. The results show that pressure makes the critical cooling rates for glass formation reduce obviously. With the increase of pressure, the microstructure of the Pd55Ni45 melt consisted mainly of a more compacted local structure with perfect icosahedra, which may be the main evidence for the contribution of the high pressure to the glass formation.