Редактирование: Mie–Gruneisen equation of state
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== Source == | == Source == | ||
− | + | This article is based on the paper '''A.M. Krivtsov, V.A. Kuzkin, [[Медиа: Krivtsov_2011_MechSol.pdf | Derivation of Equations of State for Ideal Crystals of Simple Structure]] // Mech. Solids. 46 (3), 387-399 (2011)''' | |
− | This article is based on the paper | ||
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== Mie-Gruneisen equation of state == | == Mie-Gruneisen equation of state == | ||
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In high pressure physics it is usual to represent the total pressure <math>p</math> in condensed matter as a sum of "cold" and "thermal" components: | In high pressure physics it is usual to represent the total pressure <math>p</math> in condensed matter as a sum of "cold" and "thermal" components: | ||
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where <math>k</math> is the number of coordination sphere, <math>n</math> is the number of coordination spheres, <math>N_k</math> is the number of atoms bolonging to the <math>k</math>-th coordination sphere, <math> A_k = \rho_k R \theta</math> is the radius of coordination sphere , <math> \rho_k=A_k/A_1 </math>, <math>R</math> is the radius of the first coordination sphere in undeformed configuration, <math>\varPhi^{(n)}_k = \varPhi^{(n)}(A_k^2)</math>. | where <math>k</math> is the number of coordination sphere, <math>n</math> is the number of coordination spheres, <math>N_k</math> is the number of atoms bolonging to the <math>k</math>-th coordination sphere, <math> A_k = \rho_k R \theta</math> is the radius of coordination sphere , <math> \rho_k=A_k/A_1 </math>, <math>R</math> is the radius of the first coordination sphere in undeformed configuration, <math>\varPhi^{(n)}_k = \varPhi^{(n)}(A_k^2)</math>. | ||
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== Cold curve for Lennard-Jones, Mie, and Morse potentials == | == Cold curve for Lennard-Jones, Mie, and Morse potentials == | ||
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\varPi(r) =D\left[\left(\frac{a}{r}\right)^{12}-2\left(\frac{a}{r}\right)^{6}\right], ~~~~ p_0 = \frac{6MD}{dV_0\theta^{d}}(\theta^{-12}-\theta^{-6}) | \varPi(r) =D\left[\left(\frac{a}{r}\right)^{12}-2\left(\frac{a}{r}\right)^{6}\right], ~~~~ p_0 = \frac{6MD}{dV_0\theta^{d}}(\theta^{-12}-\theta^{-6}) | ||
</math> | </math> | ||
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* '''Cold curve for Mie potential:''' | * '''Cold curve for Mie potential:''' | ||
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\varGamma = \frac{1}{d}\frac{4(8-d)\theta^{6}-7(14-d)}{(8-d)\theta^{6}-(14-d)}. | \varGamma = \frac{1}{d}\frac{4(8-d)\theta^{6}-7(14-d)}{(8-d)\theta^{6}-(14-d)}. | ||
</math> | </math> | ||
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* '''Gruneisen function for Mie potential:''' | * '''Gruneisen function for Mie potential:''' | ||
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\varGamma = \frac{1}{2d}\frac{(n+2)(n-d+2)\theta^{m-n}-(m+2)(m-d+2)}{(n-d+2)\theta^{m-n}-(m-d+2)}. | \varGamma = \frac{1}{2d}\frac{(n+2)(n-d+2)\theta^{m-n}-(m+2)(m-d+2)}{(n-d+2)\theta^{m-n}-(m-d+2)}. | ||
</math> | </math> | ||
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* '''Gruneisen function for Morse potential:''' | * '''Gruneisen function for Morse potential:''' | ||
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</math> | </math> | ||
<math>d_1 = d-1,~~</math> <math>\theta=(V/V_0)^{1/d}</math> | <math>d_1 = d-1,~~</math> <math>\theta=(V/V_0)^{1/d}</math> | ||
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== Papers == | == Papers == | ||
− | * | + | * A.M. Krivtsov, V.A. Kuzkin, [[Медиа: Krivtsov_2011_MechSol.pdf | Derivation of Equations of State for Ideal Crystals of Simple Structure]] // Mech. Solids. 46 (3), 387-399 (2011). |
* MacDonald D. K. C., Roy, S.K. (1955), "Vibrational Anharmonicity and Lattice Thermal Properties. II", Phys. Rev. 97: 673–676, doi:10.1103/PhysRev.97.673 | * MacDonald D. K. C., Roy, S.K. (1955), "Vibrational Anharmonicity and Lattice Thermal Properties. II", Phys. Rev. 97: 673–676, doi:10.1103/PhysRev.97.673 | ||