Evaluation of thermodynamic properties of solids by quasiharmonic lattice dynamics

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Bibliographic Details
Published inInternational journal of thermophysics Vol. 22; no. 2; pp. 535 - 546
Main Authors ALLAN, N. L, BARRERA, G. D, BARRON, T. H. K, TAYLOR, M. B
Format Conference Proceeding
LanguageEnglish
Published New York, NY Springer 01.03.2001
Subjects
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Heat capacities of solids
Physics
Thermal properties of condensed matter
Polyethylenes
Phase transformations
Theoretical study
Magnesium fluorides
Defects
Calcium oxides
Thermal expansion
Manganese oxides
Monte Carlo methods
Zirconium tungstates
Lattice dynamics
Molecular dynamics calculations
Magnesium oxides
Solid phase
Thermodynamic properties
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ISSN:0195-928X
1572-9567
DOI:10.1023/A:1010783000570