Abstract
The Helmholtz free energy and radial distribution functions were calculated for impurity and vacancy point defects in AgCl doped with 1–5 mole % CdCl2 at 250 °C. The model assumed a Coulombic interaction except at the nearest-neighbor separation. The method was a variational solution of the hypernetted chain integral equations. The relation of the calculation method and results to liquid electrolyte solution theory is discussed. The degree of association into nearest-neighbor vacancy–impurity complexes is not close to zero, contrary to recent suggestions. The results are consistent with the occurrence of triplet (and possibly larger) nearest-neighbor complexes in addition to the pairs.
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