The problem of obtaining crystaline phases during cooling binary nanoparticles Au-Co and Ti-V
K.G. Savina, R.E. Grigoryev, A.D. Veselov, S.S. Bogdanov, P.M. Ershov, S.A. Veresov, D.R. Zorin, V.S. Myasnichenko, N.Yu. Sdobnyakov
Tver State University
DOI: 10.26456/pcascnn/2023.15.543
Original article
Abstract: The processes of structure formation in Co-Au and Ti-V metal nanoparticles as well as factors affecting the crystallization process are considered. The objects of the study were Co-Au and Ti-V binary nanoparticles containing N = 400, 800, 1520 and 5000 atoms with the equiatomic composition. The computer experiment was carried out using method of molecular dynamics. The interatomic interaction was described by the tight-binding potential. According to the results of a series of computer experiments, it was found that the main factors influencing the possibility of obtaining crystalline phases are: the cooling rate of binary nanoparticles, their size and the size mismatch of atoms included in the composition, as well as the nature of the interaction of metal atoms. The manifestation of stability/instability in binary nanoparticles may be due to patterns of formation of crystalline phases. Moreover, the tendency to segregate one of the components in a binary system may not be the main factor determining the stability/instability of such a system.
Keywords: molecular dynamics method, tight binding potential, binary nanoparticles, cobalt, gold, titanium, vanadium, dimensional mismatch, crystallization
- Kseniya G. Savina – 1st year postgraduate student, General Physics Department, Tver State University
- Roman E. Grigoryev – 2nd year postgraduate student, General Physics Department, Tver State University
- Alexei D. Veselov – Researcher, General Physics Department, Tver State University
- Sergey S. Bogdanov – Ph. D., Researcher, General Physics Department, Tver State University
- Pavel M. Ershov – Researcher, General Physics Department, Tver State University
- Sergey A. Veresov – 2nd year postgraduate student, General Physics Department, Tver State University
- Danila R. Zorin – 4st year student, General Physics Department, Tver State University
- Vladimir S. Myasnichenko – Researcher, General Physics Department, Tver State University
- Nickolay Yu. Sdobnyakov – Ph. D., Docent, General Physics Department, Tver State University
Reference:
Savina, K.G. The problem of obtaining crystaline phases during cooling binary nanoparticles Au-Co and Ti-V / K.G. Savina, R.E. Grigoryev, A.D. Veselov, S.S. Bogdanov, P.M. Ershov, S.A. Veresov, D.R. Zorin, V.S. Myasnichenko, N.Yu. Sdobnyakov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2023. — I. 15. — P. 543-553. DOI: 10.26456/pcascnn/2023.15.543. (In Russian).
Full article (in Russian): download PDF file
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