Segregation of components as a necessary condition for the eutectic nature of an alloy and nanoalloy
V.M. Samsonov, I.V. Talyzin, D.V. Zhigunov
Tver State University
DOI: 10.26456/pcascnn/2024.16.387
Original article
Abstract: Employing results of our molecular dynamics experiments performed by using the LAMMPS program and embedded atom method, phase diagrams for binary Ag-Cu and Cu-Ni nanoalloys (binary nanoparticles containing 2000 and 5000 atoms) were constructed and analyzed. The concentration dependence of the melting temperature of nanoparticles was interpreted as the liquidus line. It was found that for the Ag-Cu nanoalloy, the phase diagram corresponds to the simple eutectic, and for the Cu-Ni nanoalloy, it corresponds to the phase diagram of an alloy with unlimited mutual solubility of components. The above results agree with the phase diagrams for the corresponding bulk alloys. It was found that the eutectic temperature decreases with decreasing nanoparticle size; and the value of the mole fraction corresponding to the eutectic point and equal to 0,4 coincides with the value corresponding to the bulk alloy. A hypothesis is put forward about the relationship between the surface segregation of one of the components of the binary alloy/nanoalloy and the eutectic type of the phase diagram. It is concluded that the surface segregation effect is a necessary condition for the eutectic behavior, but is not the sufficient condition.
Keywords: binary Ag-Cu and Cu-Ni nanoparticles, phase diagram, segregation ofcomponent, molecular dynamics
- Vladimir M. Samsonov – Dr. Sc., Full Professor, General Physics Department, Tver State University
- Igor V. Talyzin – Ph. D., Researcher, Management of Scientific Research, Tver State University
- Dmitry V. Zhigunov – 4th year postgraduate student, General Physics Department, Tver State University
Reference:
Samsonov, V.M. Segregation of components as a necessary condition for the eutectic nature of an alloy and nanoalloy / V.M. Samsonov, I.V. Talyzin, D.V. Zhigunov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2024. — I. 16. — P. 387-398. DOI: 10.26456/pcascnn/2024.16.387. (In Russian).
Full article (in Russian): download PDF file
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