Ornstein - Zernike equation in the physics of the glass state

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It is shown that the Ornstein-Zernike equation of classical fluid physics for equilibrium states of spatially homogeneous isotropic systems can be used to calculate the thermophysical characteristics of simple molecular systems with central forces of interparticle interaction in a non-equilibrium glassy state. To use the Ornstein-Zernike equation in the description of microscopically inhomogeneous glassy bodies, a single-particle distribution function is introduced into the equation. The calculation of the heat capacity and the speed of sound in argon show satisfactory agreement with the results of numerical and full-scale experiments, which indicate the possibility of describing the glassy states of simple molecular systems using the modified Ornstein-Zernike equation. For the numerical equation's solution, the Labik-Malievsky algorithm is used.

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Glassy state, partial distribution functions, phase transition, ornstein-zernike equation, numerical solution of integral equations

Короткий адрес: https://sciup.org/148323729

IDR: 148323729   |   DOI: 10.18101/2304-5728-2021-4-26-33

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