Molecular dynamics simulation on thermodynamic properties of Pb-Ag alloys

作者：Jia Guobin; Liu Yuanyuan; Yang Bin^*; Liu Dachun

来源：Rare Metals, 2010, 29(3): 323-326.

DOI：10.1007/s12598-010-0057-8

• molecular dynamics
• energy function
• generalized embedded atom method
• Pb-Ag alloy

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.

• 出版日期2010-6
• 单位昆明理工大学