Abstract
The atomic cluster models of α-Mg，liquid Mg and the interface between liquid/solid have been founded. The environment-sensitive embedding energy of Ca and Be in α-Mg，liquid Mg，liquid/solid interface has been calculated by recursion method. The atomic affinity energy between Mg，Ca，Be with O has been defined and calculated. The calculated results show that the solid solubility of Ca and Be is very small in α-Mg，because of their higher environment-sensitive embedding energy leads to instability in α-Mg crystal. The Ca and Be diffuse in to the liquid Mg, which has lower environment-sensitive embedding energy than the solid，and congregate on the surface of liquid Mg as the alloys solidify. Because the atomic affinity energy of Ca-O and Be-O is lower than Mg-O，The Ca and Be aggregating on the surface of liquid Mg will priorly combined with O，forming compact oxides of Ca，Be and alloys of elements，which prevent Mg alloys from burning.
Published Version
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