ABSTRACT

The thermodynamic properties, microscopic functions, and diffusivity of liquid Zn-Cd alloys have been predicted by the molecular interaction volume model (MIVM). These properties were also predicted by the self-association model (SAM) (O. E. Awe et al., Appl Phys A. 2017;123:363). Considered the deviation between the predicted values and the experimental values, the MIVM is more reliable and convenient than the SAM. Different from the results of SAM, the asymmetry of properties against concentration calculated by MIVM shows a relatively large reduction, which agreed with the experimental results. Moreover, some cross-over phenomena, which occurred in the conclusions analysed by SAM, were not found in the results from MIVM. The results of this study serve as a supplement to the thermodynamic description of the Zn-Cd system.

摘要

液态锌镉合金的热力学性质、微观功能和扩散率已通过分子相互作用体积模型 (MIVM) 进行预测。自关联模型（SAM）也预测了这些特性（OE Awe等人., Appl Phys A. 2017;123:363)。考虑到预测值和实验值之间的偏差，MIVM 比 SAM 更可靠和方便。与SAM的结果不同，MIVM计算的性质与浓度的不对称性显示出较大的减少，这与实验结果一致。此外，在 SAM 分析的结论中出现的一些交叉现象，在 MIVM 的结果中没有发现。本研究的结果可作为对 Zn-Cd 系统热力学描述的补充。