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Derivation of generalized gibbs equations with higher-order stresses and its microscopic discussions

机译:具有高阶应力的广义GIBBS方程的推导及其显微探测

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摘要

Balance equations for higher-order materials have been widely studied. In this paper, Gibbs equations for higher-order materials are formulated introducing a concept of the equivalence between higher-order stress powers and heat flux. Gibbs equations for higher-order materials and simple materials are expressed with microscopic quantities by use of the microscopic expressions such as stress power, higher-order stress powers and internal energy. The results obtained from the simulation of molecular dynamics can be substituted into the microscopic expressions of Gibbs equations. The values of entropies for higher-order materials and simple materials can be calculated in this procedure. It is shown that the difference in entropies between higher-order materials and simple materials becomes notable in an example of the calculation.
机译:广泛研究了高阶材料的平衡方程。 在本文中,制定了高阶材料的GIBBS方程,在高阶应力功率和热通量之间引入了等效的概念。 GIBBS方程对于高阶材料和简单的材料通过使用微观表达式表示诸如应力功率,高阶应力功率和内部能量的微观表达表示。 从分子动力学模拟获得的结果可以被取代成Gibbs方程的微观表达。 可以在该过程中计算高阶材料和简单材料的熵值。 结果表明,在计算的示例中,上级材料与简单材料之间的熵和简单材料之间的差异变得显着。

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