Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1503428 | Scripta Materialia | 2006 | 4 Pages |
Abstract
We present a method for predicting activity coefficients in dilute binary solid solutions from first principles and apply it to Al in Ni. Accurate results require knowledge of the temperature dependencies of both enthalpy and entropy: with the latter being dominant. The activity coefficient of Al varies by 15 orders of magnitude over 400 K ⩽ T ⩽ 1700 K: whereas that for Ni only varies by <4%. Available experimental data are consistent with these results.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Yong Jiang, John R. Smith, Anthony G. Evans,