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Peculiarities of anharmonic effects in the lattice thermodynamics of fcc metals

Authors
Journal
Physics Letters A
0375-9601
Publisher
Elsevier
Publication Date
Volume
295
Issue
1
Identifiers
DOI: 10.1016/s0375-9601(02)00126-3
Keywords
  • Anharmonic Thermodynamics
  • Martensite Phase Transition
  • Heat Capacity
  • Computation
Disciplines
  • Computer Science
  • Physics

Abstract

Abstract Explicit expressions for anharmonic contributions to the thermodynamic properties with allowance for higher-order phonon–phonon interactions for closed-packed crystals are given, and the calculations for some fcc metals near the melting (Ir, Rh) and martensite phase transition (Ca, Sr) points are carried out. A detailed comparison of anharmonic and electron contributions to the heat capacity of these metals is carried out. The computational results for high-temperature heat capacity agree well with the available experimental data.

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