Statistical mechanics of defect-containing solids. I. General formalism

A. R. Allnatt; M. H. Cohen

doi:10.1063/1.1725417

Statistical mechanics of defect-containing solids. I. General formalism

A. R. Allnatt, M. H. Cohen

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23 Scopus citations

Abstract

A formalism is set up for treating the contributions of point defects to the thermodynamic functions of crystalline solids by means of a cluster expansion of the partition function. Similar expansions for the defect distribution functions and potentials of average force are derived. The assumptions involved and the necessary differences between the formalism and the McMillan-Mayer theory of solutions are discussed. Problems arising in the explicit evaluation of the coefficients of the virial expansions are discussed and possible applications of the formalism suggested.

Original language	English (US)
Pages (from-to)	1860-1870
Number of pages	11
Journal	The Journal of chemical physics
Volume	40
Issue number	7
DOIs	https://doi.org/10.1063/1.1725417
State	Published - 1964
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1725417

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abstract = "A formalism is set up for treating the contributions of point defects to the thermodynamic functions of crystalline solids by means of a cluster expansion of the partition function. Similar expansions for the defect distribution functions and potentials of average force are derived. The assumptions involved and the necessary differences between the formalism and the McMillan-Mayer theory of solutions are discussed. Problems arising in the explicit evaluation of the coefficients of the virial expansions are discussed and possible applications of the formalism suggested.",

author = "Allnatt, {A. R.} and Cohen, {M. H.}",

year = "1964",

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AB - A formalism is set up for treating the contributions of point defects to the thermodynamic functions of crystalline solids by means of a cluster expansion of the partition function. Similar expansions for the defect distribution functions and potentials of average force are derived. The assumptions involved and the necessary differences between the formalism and the McMillan-Mayer theory of solutions are discussed. Problems arising in the explicit evaluation of the coefficients of the virial expansions are discussed and possible applications of the formalism suggested.

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Statistical mechanics of defect-containing solids. I. General formalism

Abstract

All Science Journal Classification (ASJC) codes

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