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Abstract
The isothermal and adiabatic nth-order (n ≥ 2) elastic constants of a loaded crystal are defined. These constants fully determine the behavior of solids at an arbitrary load and are controlled by both an interatomic interaction and an applied load. Expressions that relate these constants (of the second, third, and fourth order) to Brugger elastic constants of the corresponding order, which are only determined by an inter-atomic interaction, are found for cubic symmetry crystals under hydrostatic pressure. These expressions are used to calculate the equation of state and the second- and third-order elastic constants of bcc tantalum at T = 0 K over a wide pressure range (0–600 GPa) using an electron density functional method. The results of calculating the equation of state and the second-order elastic constants agree with available experimental data and the calculation results obtained in other works.
Published Version
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