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We propose a new simple way to evaluate the effect of anharmonicity on asystem's thermodynamic functions such as heat capacity. In this approach, thecontribution of all potentially complicated anharmonic effects toconstant-volume heat capacity is evaluated by one parameter only, thecoefficient of thermal expansion. Importantly, this approach is applicable notonly to crystals but also to glasses and viscous liquids. To support thisproposal, we perform molecular dynamics simulations of several crystalline andamorphous solids as well as liquids, and find a good agreement between resultsfrom theory and simulations. We observe an interesting non-monotonic behaviorof liquid heat capacity with a maximum, and explain this effect as a result ofcompetition between anharmonicity at low temperature and decreasing number oftransverse modes at high temperature.

Heat capacity of matter beyond the Dulong-Petit value