Solubility-limiting methods measurement, demonstration

We have recently succeeded in calculating the d< fect energies in metals, such as I-I (I=iinpiirily), P-1 (P=probe), V-I (V=vacancy) in.fraction energies(IE s). The calculations apply the Korringa-Kohn-Rostoker (KKR) Gieen s function method for impurities and are based on the local-spin-density approximation (LSDA) for density-functional (heory. The nice agreement of calculated results foi P-I IE s with available accurate measured values seems to demonstrate the accuracy of our calculations. It was also shown that the Monte Carlo simulations based on the calculated I-I IE s reproduce very well the measured values of temperature-concentration dependence for the solid solubility limit of impurities in metals. 

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