【摘 要】
：
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 fu
【机 构】
：
National Engineering Laboratory of Vacuum Metallurgy
【基金项目】
：
the National Natural Science Foundation of China-Yunnan United Foundation
论文部分内容阅读
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 val-ues agree well with the experimental ones. The atomic interactions were analyzed in macroscopic and microcosmic views and both are con-sistent well.
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