Ga-Sn合金液态结构研究

Study on liquid structure of Ga-Sn alloys

采用分子动力学计算方法对包括共晶成分Ga_（91.6）Sn_（8.4）在内的GaxSn100-x合金以及三元共晶合金Ga_（76）In_（14）Sn_（10）的液态结构进行了分析。结果表明,液态GaxSn100-x合金中异类原子之间呈现排斥行为,共晶合金的液体结构没有呈现出特异性;三元共晶合金Ga_（76）In_（14）Sn_（10）的液体结构与二元共晶合金Ga_（91.6）Sn_（8.4）的相似,In的引入使结构更加趋于无序化,分析认为这是导致熔点进一步降低的原因。同时计算了几种液态合金的扩散系数。

Molecular dynamics simulations were performed to investigate the liquid structure of GaxSn100-xalloys including the binary eutectic Ga_（91.6）Sn_（8.4） composition and the ternary eutectic alloys Ga_（76）In_（14）Sn_（10）.The results showed that in the liquid state,unlike atoms of GaxSn100-x,tend to repulse each other,and that the eutectic Ga_（91.6）Sn_（8.4） alloy has similar short-range order with its neighbour alloys.In the liquid ternary eutectic Ga_（76）In_（14）Sn_（10） alloy unlike atoms behave likely as the binary Ga-Sn alloys,furthermore,the introduction of In into the binary Ga-Sn alloy leads to more disorder liquid structure,which may be the structural respect to the melting point decrease.