Molecular dynamics simulation on thermodynamic properties of Pb-Ag alloys

• Published in: Rare metals Vol. 29; no. 3; pp. 323 - 326
• Main Authors: Jia, Guobin, Liu, Yuanyuan, Yang, Bin, Liu, Dachun
• Format: Journal Article
• Language: English
• Published: Beijing University of Science and Technology Beijing 01.06.2010; Springer Nature B.V; National Engineering Laboratory of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, China
• Subjects: Alloys; Biomaterials; Chemistry and Materials Science; Energy; he原子; Lead base alloys; Materials Engineering; Materials Science; Metallic Materials; Molecular dynamics; Nanoscale Science and Technology; Physical Chemistry; Simulation; Thermodynamic properties; 二元合金; 分子动力学模拟; 模拟方法; 热力学性质; 相互作用; 计算值; 铅银合金; energy function; Pb-Ag alloy; molecular dynamics; generalized embedded atom method

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 o...