Proportional correlation between heat capacity and thermal expansion of atomic, molecular crystals and carbon nanostructures

TL;DR

This study reveals a proportional correlation between heat capacity and thermal expansion across various atomic and molecular crystals, including nanostructures, highlighting a universal relationship in specific temperature ranges.

Contribution

It introduces a proportional correlation model linking heat capacity and thermal expansion for diverse crystalline materials, including nanostructures and amorphous substances.

Findings

Proportional correlation between thermal expansion and heat capacity in atomic crystals.

Correlation observed in molecular crystals with linear symmetry below certain heat capacity values.

Universal proportionality identified across different materials within specific temperature ranges.

Abstract

Correlation between thermal expansions $\beta(T)$ and heat capacity $C(T)$ of atomic and molecular crystals, amorphous materials with a structural disorder, carbon nanomaterials (fullerite C$_{60}$, bundles SWCNTs of single-walled carbon nanotubes) was analyzed. The influence of the contribution to the coefficient of linear thermal expansion $\alpha_\textrm{Xe}(T)$ of Xe atoms adsorbed on the SWCNTs bundles is considered. The proportional correlation was found between the contribution to the coefficient of linear thermal expansion $\alpha_\textrm{Xe}(T)$ and the normalized to the gas constant heat capacity $C_\textrm{Xe}(T)/R$ of Xe atoms adsorbed on the SWCNTs bundles. The proportional correlation $(\beta/\beta^*) \sim (C_\textrm{V}/R)$ with the parameter $\beta^*$ for the bulk thermal expansion coefficient for cryocrystals is proposed. In the case of atomic crystals such as Xe and Ar, the proportional correlation $(\beta/\beta^*) \sim (C_\textrm{V}/R)$ is observed in the temperature range from the lowest experimental to temperatures where $C_\textrm{V}/R \approx 2.3$. The correlation is not observed in the temperatures where $2.3<C_V/R<3$ (classical Dulong-Petit law). It was found that the universal proportional correlation is also observed for molecular crystals with linear symmetry, such as CO$_{2}$, CO, and N$_{2}$O if the normalized heat capacity below the values $C_\textrm{V}/R \approx 3 \div 3.5$.