Study of fee and bcc Based Phases in the Al-Ag System

摘要

A first-principles study is reported on the Al-Ag system using the cluster variation method(CVM). The first-principles calculations are based on LMTO-ASA electronic total energy calculations and effective cluster interactions on fee and bcc lattices were extracted. These interactions are used to compute the stable and metastable phase equilibria under ambient pressure. The calculations indicate that at low temperature under ambient pressure an order-disorder transformation occurs in the phase that precipitates from the fee Al-rich solid solution. The computed miscibility gap is in fair agreement with the experimental result.