A simple method of calculation of the configurational entropy for interstitial solutions with short range repulsive interactions
1981; Elsevier BV; Volume: 42; Issue: 9 Linguagem: Inglês
10.1016/0022-3697(81)90157-8
ISSN1879-2553
Autores Tópico(s)Theoretical and Computational Physics
ResumoA simple method has been proposed to calculate the partial molar entropy for interstitial solid solution with exclusion of nearest neighbor sites. Its accuracy has been tested by comparing its results with exact results known for hard sphere lattice gases. This method has been applied to solutions of hydrogen in b.c.c. metals (vanadium, niobium and tantalum) and it has been shown that experimental results are consistent with the exclusion of first and second nearest neighbors of occupied sites.
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