Thermodynamic optimization of the Li-Pb system
The Li-Pb system was optimized using CALPHAD (CALculation of PHAse Diagram) technique.The enthalpies of formation of eight intermetallic compounds, such as Li4Pb also known as Li22Pb5, Li7Pb2,Li10Pb3, Li3Pb, LisPb3, Li5Pb2, αLiPb, and βLiPb, at 0 K, were calculated from first-principles calculations.The solution phase, liquid, was treated as (Li, Li4Pb, Pb) using an associate model because a short-range-order phenomenon was proven to exist in liquid.The solution phases, fcc and bcc, were described as (Li, Pb) with a simple substitutional model.The intermetallic compounds, Li4Pb, Li3Pb, and Li5Pb2, were treated as stoichiometric compounds and the intermetallic compounds, Li7Pb2, αLiPb, and βLiPb, were modeled as (Li,Pb)m(Li,Pb)n using the two-sublattice model according to their solid solubility.A set of self-consistent thermodynamic parameters was obtained in the present work.
Li-Pb system First-principles calculations CALPHAD technique Thermodynamic optimization
周晨阳 郭翠萍 李长荣 杜振民
国内会议
桂林
英文
399-402
2015-11-03（万方平台首次上网日期，不代表论文的发表时间）