Few-Parameter Equation of State of Copper

Гилев, С. Д.

doi:10.1134/s0010508218040123

Cited by 16 publications

(7 citation statements)

References 25 publications

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“…While experimental measurements of the coefficient of thermal expansion (CTE) can be done using a number of experimental techniques 1-5 , most theoretical tools available for predicting the CTE are limited to the quasiharmonic approximation (QHA) or the Debye-Gruneisen approximation. There are a few programs 6,7 and several models [8][9][10][11][12][13][14][15][16][17] available for scientists to calculate the CTE, and its associated thermal properties, from firstprinciples calculations. These currently available methods principally rely on the QHA.…”

Section: Introductionmentioning

confidence: 99%

Calculation of the anisotropic coefficients of thermal expansion: A first-principles approach

Pike

Løvvik

2019

Computational Materials Science

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Predictions of the anisotropic coefficients of thermal expansion are needed to not only compare to experimental measurement, but also as input for macroscopic modeling of devices which operate over a large temperature range. While most current methods are limited to isotropic systems within the quasiharmonic approximation, our method uses first-principles calculations and includes anharmonic effects to determine the temperature-dependent properties of materials. These include the lattice parameters, anisotropic coefficients of thermal expansion, isothermal bulk modulus, and specific heat at constant pressure. Our method has been tested on two compounds (Cu and AlN) and predicts thermal properties which compare favorably to experimental measurement over a wide temperature range.

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Section: Introductionmentioning

confidence: 99%

Calculation of the anisotropic coefficients of thermal expansion: A first-principles approach

Pike

Løvvik

2019

Computational Materials Science

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“…Для проверки достоверности моделирования по модели ТЕС2 рассчитана объемная скорость звука c B , которая вычислялась с использованием значение модуля изоэнтропического сжатия K S = −V (∂P/∂V ) S , определенного из термодинамического тождества по следующим формулам, аналогично [23]…”

Section: моделирование ударно-волнового нагруженияunclassified

“…Несмотря на большое число подходов к выбору УРС твердого тела при динамических нагрузках [14][15][16][17][18][19][20][21][22][23], проблема расчета УРС в ее точной математической постановке крайне сложна. Как отмечается в [21], где приведен наиболее полный обзор современных подходов к выбору уравнений состояния конденсированной среды, построение адекватных УРС вещества само по себе является масштабной научной проблемой.…”

Section: Introductionunclassified

“…Таким образом, главным критерием применимости модельного УРС является соответствие его эксперименту. Одним из широко распространенных является подход Ми-Грюнайзена; для УРС этого типа характерны простота и совершенство, при этом выбор параметра Грюнайзена может быть произведен несколькими путями [23].…”

Section: Introductionunclassified

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Численное Моделирование Термодинамических Параметров Высокопористой Меди

Maevskii¹,

Кинеловский²

2019

Журнал Технической Физики

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The modified equation of state is proposed for the calculation of thermodynamically equilibrium model TEС2 to improve the reliability of the description of thermodynamic parameters of shock-wave loading of pure materials and heterogeneous mixtures of different porosity. The parameters of the thermally consistent equation of state are determined for copper. A reliable description of the shock-wave loading of copper is obtained for a small number of fitting parameters determined by the experimental data. The thermodynamic parameters for copper of different porosity are modeled, the compression and temperature values along the shock adiabate are determined; the heat capacity value along the normal isobar is calculated. The results of calculations are compared with the known experimental results of different authors.

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“…It is preferable to use a simple equation in this case. The construction of simple EoSs is of particular interest in the modeling of thermodynamic parameters of mixtures [18][19][20][21][22][23][24][25]. In the developed model, the fairly simple EoS is used; it gives good correspondence to the experiment in wide range of pressures, both for solid and porous pure materials.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic parameters of mixtureswith silicon nitride under shock-wave loading

Maevskii¹

2019

MathMon

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Few-Parameter Equation of State of Copper

Cited by 16 publications

References 25 publications

Calculation of the anisotropic coefficients of thermal expansion: A first-principles approach

Calculation of the anisotropic coefficients of thermal expansion: A first-principles approach

Численное Моделирование Термодинамических Параметров Высокопористой Меди

Thermodynamic parameters of mixtureswith silicon nitride under shock-wave loading

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