铝热力学特性的晶格动力学研究

Thermodynamics properties and lattice dynamics of Aluminum

在准谐近似下,利用准谐德拜模型通过亥母霍兹自由能构造出了铝在低于熔点温度范围内的物态方程和热力学特性。研究表明,在广泛的温度和压强范围内,铝的体积弹性模量和对应体积与有效的实验值一致,且其静态物态方程以及不同温度和压强下的热容量、熵、热膨胀系数等热力学特性也与有效的实验结果符合的很好。

The quasi-harmonic Debye model is employed to calculate the equation of state （EOS） and the thermodynamic properties which are eonstrueted from the Helmholz free energy at the temperature below the melting point in the quasiharmonie approximation. The bulk modulus and the correspond volumes are obtained aeurrately again at widely temperatures and pressures, at the same time, the results of the static equation of state and the thermodynamic properties such as heat capacity, entropy, linear expansion coefficients at different temperatures and pressures are all in agreement with the available experiment results.