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Thermodynamic reassessment of the Ag–Cu phase diagram at nano-scale
Calphad ( IF 1.9 ) Pub Date : 2020-12-09 , DOI: 10.1016/j.calphad.2020.102233
M.Z. Chu , Y.Z. Qin , T. Xiao , W. Shen , T. Su , C.H. Hu , Chengying Tang

The Ag–Cu phase diagram at nanoscale was reassessed by CALculation of PHAse Diagrams (CALPHAD) method, considering the surface effect on the chemical potential of pure substance and excess Gibbs free energy of mixtures. According to the reported thermodynamic properties of pure Ag and Cu nanoparticles (NPs), and the measured melting eutectic temperatures of Ag8Cu2, Ag7Cu3, Ag6Cu5 to Ag5Cu5 NPs, respectively, obtained in the previous works, self-consistent thermodynamic parameters including the size effect were obtained by thermodynamic optimization. Using the obtained thermodynamic parameters, four Ag–Cu nano phase diagrams were constructed, and thermodynamic properties were calculated. It was indicated that the calculated Ag–Cu nano phase diagrams agreed well with experimental data.



中文翻译:

纳米级银铜相图的热力学重新评估

考虑到表面对纯净物质的化学势和混合物的过量吉布斯自由能的影响,通过PHAse图的计算(CALPHAD)方法重新评估了纳米级的Ag-Cu相图。根据报道的纯Ag和Cu纳米颗粒(NP)的热力学性质,以及测得的Ag 8 Cu 2,Ag 7 Cu 3,Ag 6 Cu 5到Ag 5 Cu 5的熔融共晶温度通过热力学优化分别获得了先前工作中得到的NPs,包括尺寸效应在内的自洽热力学参数。使用获得的热力学参数,构建了四个Ag-Cu纳米相图,并计算了热力学性质。结果表明,计算得到的Ag-Cu纳米相图与实验数据吻合良好。

更新日期:2020-12-09
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