Diffusion in metals Au, Cu, and interstitial alloys AuSi, CuSi

Hoc Nguyen Quang, Hien Nguyen Duc, Hoa Nguyen Thi, H. Le Lan, Le Nguyen Ngoc
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Abstract

The paper performs numerically the vacancy activation volume, the activation energy, the pre-exponential factor, and the diffusion coefficient for metals Au, Cu, and alloys AuSi, CuSi in the interval of the concentration of interstitial atoms from zero to 4%, in the interval of temperature from 700 to 1873 K, in the interval of pressure from zero to 180 GPa and the interval of strain from zero to 5%. The paper determines the dependence of the diffusion coefficient on pressure and stress for above mentioned metals and alloys. SMM numerical results show that the Arrhenius law is satisfied for metals and interstitial alloys at different pressures and concentrations of interstitial atoms. SMM numerical results for Au at T = 1000 K and T = 1250 K and at zero pressure are in good agreement with experiments for the activation energy (errors are below 10%) and agree in terms of magnitude for the pre-exponential factor and the diffusion coefficient. SMM numerical results of the diffusion coefficient for Au in the interval of temperature from 977 to 1321 K and for Cu in the interval of temperature from 933.95 to 1336.15 K are compared with experiments and other calculations and there are rather good agreement in terms of magnitude. SMM numerical results of the activation volume of Au and Cu agree well with other calculations. SMM numerical results for diffusion quantities of interstitial alloys AuSi, CuSi in different temperatures, pressures, stresses, and concentrations of interstitial atoms anticipate and orient experiments in the future.
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金属中的扩散:Au, Cu和间隙合金AuSi, CuSi
本文对Au、Cu和合金AuSi、CuSi在间隙原子浓度0 ~ 4%区间、温度700 ~ 1873 K区间、压力0 ~ 180 GPa区间和应变0 ~ 5%区间的空位活化体积、活化能、指前因子和扩散系数进行了数值计算。本文确定了上述金属和合金的扩散系数对压力和应力的依赖关系。SMM数值结果表明,在不同压力和不同浓度的间隙原子下,金属和间隙合金均满足Arrhenius定律。在T = 1000 K和T = 1250 K和零压力下,Au的SMM数值结果与实验的活化能(误差小于10%)一致,在指数前因子和扩散系数的大小上也一致。对977 ~ 1321 K范围内Au和933.95 ~ 1336.15 K范围内Cu的扩散系数的SMM数值计算结果与实验和其他计算结果进行了比较,在量级上有较好的一致性。Au和Cu活化体积的SMM数值计算结果与其他计算结果吻合较好。在不同温度、压力、应力和间隙原子浓度条件下,间质合金AuSi、CuSi扩散量的SMM数值结果预测和指导了未来的实验。
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