Au-Ni合金中组元的平均原子体积和偏摩尔体积的关系

在系统合金科学框架中建立有关无序合金的平均摩尔性质（体积和势能）的函数。通过对这些函数进行推导,可以得到平均摩尔体积函数、偏摩尔体积函数及派生出与成分相关的函数。在组元的偏摩尔性质和平均摩尔性质之间的普适方程、差分方程、在偏摩尔性质和平均摩尔性质之间不同参数的约束方程和普适的Gibbs-Duhem公式。可以证明从合金平均摩尔性质的不同函数计算的偏摩尔性质是相等的,但总体来说偏摩尔性质不等于给定组元的平均摩尔性质,即偏摩尔性质不能代表相应组元的摩尔性质。通过计算Au-Ni系中组元的偏摩尔体积和平均原子体积以及合金的平均原子体积,证明所建立的公式和函数的正确性。

Relationship between partial and average atomic volumes of components in Au-Ni alloys

In the framework of systematic science of alloys, the average molar property (volume and potential energy) functions of disordered alloys were established. From these functions, the average molar property functions, partial molar property functions, derivative functions with respect to composition, general equation of relationship between partial and average molar properties of components, difference equation and constraining equation of different values between partial and average molar properties, as well as general Gibbs-Duhem formula were derived. It was proved that the partial molar properties calculated from various combinative functions of average molar properties of alloys are equal, but in general, the partial molar properties are not equal to the average molar properties of a given component. This means that the partial molar properties cannot represent the corresponding properties of the component. All the equations and functions established in this work were proved to be correct by calculating the results of partial and average atomic volumes of components as well as average atomic volumes of alloys in the Au-Ni system.