FCC缺陷合金AuCuSi和PtCuSi在压力和温度下的平衡空位浓度和热力学量

V. Le Hong, Hoc Nguyen Quang
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引用次数: 0

摘要

我们给出了黏结能、合金参数、状态方程、平均最近邻距离、亥姆霍兹自由能、平衡空位浓度和热力学量如等温压缩率、热膨胀系数、用统计矩法(SMM)推导了面心立方(FCC)缺陷三元取代间隙合金的恒容恒压热容。得到的热力学量取决于温度、压力、取代原子的浓度、间隙原子的浓度和平衡空位浓度。FCC缺陷金属A、FCC缺陷取代合金AB和FCC缺陷间隙合金AC的热力学量是FCC缺陷三元取代合金和间隙合金ABC热力学量的具体情况。对AuCuSi和PtCuSi合金进行了数值计算。本文对主要金属Au、Pt的恒压热膨胀系数和热容的计算结果与实验数据吻合较好。我们对AuCuSi和PtCuSi合金在不同温度、压力、取代原子浓度和间隙原子浓度下的热力学量的计算结果指向并预测了未来新的实验数据。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
EQUILIBRIUM VACANCY CONCENTRATION AND THERMODYNAMIC QUANTITIES OF FCC DEFECTIVE ALLOYS AuCuSi AND PtCuSi UNDER PRESSURE AND TEMPERATURE
We present the analytic expressions of the cohesive energy, the alloy parameters, the equation of state, the mean nearest neighbor distance, the Helmholtz free energy, equilibrium vacancy concentration, and thermodynamic quantities such as the isothermal compressibility, the thermal expansion coefficient, the heat capacities at constant volume and constant pressure for facecentered cubic (FCC) defective ternary substitutional and interstitial alloy ABC derived by the statistical moment method (SMM). The obtained thermodynamic quantities depend on temperature, pressure, the concentration of substitutional atoms, the concentration of interstitial atoms, and equilibrium vacancy concentration. Thermodynamic quantities of FCC defective metal A, FCC defective substitutional alloy AB, and FCC defective interstitial alloy AC are specific cases for thermodynamic quantities of FCC defective ternary substitutional and interstitial alloy ABC. The theoretical results are calculated numerically to alloys AuCuSi and PtCuSi. Our calculated results of thermal expansion coefficient and heat capacities at constant pressure for main metals Au, Pt are in good agreement with experimental data. Our other calculated results for thermodynamic quantities of alloys AuCuSi and PtCuSi at different temperatures, pressure, the concentration of substitutional atoms, and concentrations of interstitial atoms orient and predict new experimental data in the future.
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