Thermodynamic model for prediction of binary alloy nanoparticle phase diagram including size dependent surface tension effect. (September 2017)

• Record Type: Journal Article
• Authors: Monji, Fatemeh; Jabbareh, Mohammad Amin
• Is Part Of: Calphad. Volume 58(2017)
• Page Start: 1
• Page End: 5
• Publication Date: 2017-09
• Subjects: Nano-phase diagram -- Nanoalloy -- Nanoparticle -- Surface tension; Phase diagrams -- Data processing -- Periodicals; Thermochemistry -- Data processing -- Periodicals; Diagrammes de phases -- Informatique -- Périodiques; Thermochimie -- Informatique -- Périodiques; Thermodynamica; Electronic journals; 541.363
• DOI: 10.1016/j.calphad.2017.04.003
• Languages: English
• ISSNs: 0364-5916

Abstract

Abstract: 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.