【摘 要】
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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,
【出 处】
：
第十七届全国相图学术会议暨相图与材料设计国际研讨会
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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.
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