Estimation of the critical vitrification rate of pure metals using molecular dynamics simulation
- Authors: Rogachev S.A.1, Rogachev A.S.1, Alymov M.I.1
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Affiliations:
- Merzhanov Institute of Structural Macrokinetics and Materials Science
- Issue: Vol 486, No 2 (2019)
- Pages: 168-172
- Section: Physics
- URL: https://journals.eco-vector.com/0869-5652/article/view/13414
- DOI: https://doi.org/10.31857/S0869-56524862168-172
- ID: 13414
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Abstract
A molecular dynamics simulation method was applied for estimation of critical cooling rates (vc) that required for amorphization of pure metals: Mg, Al, Ti, Fe, Co, Ni, Cu, Zr, Mo, Pd, Ag, Ta, W, Pt, Au, and Pb. The range of values vc was found to be from 7.9 × 1011 K/s for Al to 3.8 × 1013 K/s for Zr. The atomic structure obtained at different cooling rates is described. A dependence of the specific volume on temperature was investigated both during the amorphization and crystallization processes. The modelling shows, which metals have the highest temperature range of long-term stability of the amorphous phase (Fe, Mo, Ta, W). Estimates were given for the maximum radius of a melt drop that can be cooled at a rate of vc. The obtained simulation results were compared with available experimental data.
About the authors
S. A. Rogachev
Merzhanov Institute of Structural Macrokinetics and Materials Science
Author for correspondence.
Email: rogachev@ism.ac.ru
Russian Federation, 142432, Moscow Region, Chernogolovka, Academician Osypian street, 8
A. S. Rogachev
Merzhanov Institute of Structural Macrokinetics and Materials Science
Email: rogachev@ism.ac.ru
Russian Federation, 142432, Moscow Region, Chernogolovka, Academician Osypian street, 8
M. I. Alymov
Merzhanov Institute of Structural Macrokinetics and Materials Science
Email: rogachev@ism.ac.ru
Corresponding Member of the Russian Academy of Sciences
Russian Federation, 142432, Moscow Region, Chernogolovka, Academician Osypian street, 8References
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