Monte Carlo simulation technique with the energetics described by the embedded atom method has been used to calculate the surface segregation of Cu-0.3 at. pct Au alloy at T=800 K. It is found that the component Au in...Monte Carlo simulation technique with the energetics described by the embedded atom method has been used to calculate the surface segregation of Cu-0.3 at. pct Au alloy at T=800 K. It is found that the component Au in the first surface layer (i.e.(100), (110) and (111) faces) is about 50~60 times as large as that in the bulk.展开更多
基金the National Natural Science Foundation of China (No. 59831020 and 19875074).
文摘Monte Carlo simulation technique with the energetics described by the embedded atom method has been used to calculate the surface segregation of Cu-0.3 at. pct Au alloy at T=800 K. It is found that the component Au in the first surface layer (i.e.(100), (110) and (111) faces) is about 50~60 times as large as that in the bulk.