Abstract
By means of CALPHAD (CALculation of PHAse Diagram) technique, the Li–Zn system was critically assessed. Three solution phases (liquid, body-centered cubic, hexagonal close-packed) were modeled with the Redlich–Kister equation. The compound LiZn 2 was treated as stoichiometric compound. αLi 2Zn 3, βLi 2Zn 3, Li 2Zn 5 and αLiZn 4, which had a homogeneity range, were treated as the formulae Li 2(Li,Zn) 3, (Li,Zn) 2(Li,Zn) 3, (Li,Zn) 2Zn 5 and (Li,Zn) 1(Li,Zn) 4, respectively. A three-sublattice model (Li,Zn) 0.5(Li,Zn) 0.5(Va) 3 is applied to describe the compound LiZn in order to cope with the order–disorder transition between body-centered cubic solution (A2) and LiZn with NaTl-type structure (B32). Another three-sublattice model (Li,Zn) 0.2(Li, Zn) 0.8(Va) 0.5 is applied to describe the compound βLiZn 4 in order to cope with the order–disorder transition between hexagonal close-packed solution (A3) and βLiZn 4 with Mg-type structure. A set of self-consistent thermodynamic parameters of the Li–Zn system was obtained.
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