Ab initio Calculation of Al-Li Systems

摘要：

The properties of aluminum and lithium and the thennodynamic properties of Al-Li system were calculated with ab initio. The calculated lattice constants, elastic constants, isothermal bulk modulus agree very well with the experimental data. The formation enthalpies and isothermal bulk moduli calculated are also in good agreement with the experimental data or the results of other theoretical results.

关键词： ab initio Al-Li system elastic property formation energy

作者: Ouyang Yifong Chen Hongmei Zen Fanjiang Du Yong Feng Yuanping

作者单位: Department of Physics, Guangxi University, Nanning 530004 State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083 Department of Physics, The National University of Singapore, Singapore 119260

会议类型: 国际会议

会议名称: The 13th National Symposium on Phase Diagrams China-Japan Joint Symposium on Phase Diagrams,Materials Design and Their Applications(第十三届全国相图学术会议暨中日双边相图、材料设计及其应用研讨会)

会议地点: 厦门

会议语种:英文

页码: 45-49

在线出版日期: 2006-11-08（万方平台首次上网日期，不代表论文的发表时间）