Temperature-Dependent Bulk Modulus Model for Solid Single Crystals

In this study, a temperature-dependent bulk modulus model without any adjustable parameters for solids single crystals is developed based on an equivalent relation between deformation energy and heat energy. This model uncovers the quantitative relation between the temperature-dependent bulk modulus, heat capacity, boiling point, enthalpy of solid-state phase transition, enthalpy of fusion, enthalpy of vaporization, and volume coefficient of thermal expansion. As examples, the temperature-dependent adiabatic bulk moduli of α-Al₂O₃, MgO, Si, Ti, SrF₂, CaF₂, and MgF₂ are predicted, and are in good agreement with the available experimental results. This study provides a new and practical method to quantitatively characterize the temperature-dependent bulk modulus of solid single crystals.