期刊
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
卷 58, 期 -, 页码 1-5出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.calphad.2017.04.003
关键词
Nano-phase diagram; Nanoalloy; Nanoparticle; Surface tension
Considering the size effect of nanoparticles on surface tension, a new CALPHAD type thermodynamic model was developed to predict phase diagram of binary alloy nanoparticle systems. In contrast to conventional model, the new model can be applied to the nanoparticles smaller than the critical size (5 NM in radius). For an example, the model applied to Ag - Au binary system and the results were compared with experimental data as well as conventional CALPHAD model and molecular dynamics simulation results.
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