Molecular dynamics simulation on thermodynamic properties of Pb-Ag alloys

• 出 处: Rare Metals
• 发表日期: 2010年03期
• 关键词: thermodynamic macroscopic cohesive silver deviation excess evaporation heating e

Molecular dynamics simulation was used to simulate the thermodynamic properties of three binary alloys,Pb-Ag (1:1),Pb-Ag (4:1),and Pb-Ag (9:1).The energy functions,such as excess free energy,cohesive energy,and formation energy,were calculated.The calculated values agree well with the experimental ones.The atomic interactions were analyzed in macroscopic and microcosmic views and both are consistent well.

Molecular dynamics simulation was used to simulate the thermodynamic properties of three binary alloys of Pb-Ag (1: 1), Pb-Ag (4: 1), and Pb-Ag free energy, cohesive energy, and formation energy, were calculated. The calculated values ​​agree well with the experimental ones. The atomic interactions were analyzed in macroscopic and microcosmic views and both are consistent well.