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Fizika Tverdogo Tela, 2021, Volume 63, Issue 11, Pages 1817–1820
DOI: https://doi.org/10.21883/FTT.2021.11.51582.04s (Mi ftt7953) 		 
This article is cited in 2 scientific papers (total in 2 papers)

XXI All-Russian School-Seminar on Condensed Matter Physics (SPFKS-21), Yekaterinburg, March 18-25, 2021
Phase transitions

Study of the activation barrier of metastable liquid crystallization by metadynamics

E. O. Rozanovab, S. P. Protsenkoa, V. G. Baidakova

a Institute of Thermal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, Russia
b Ural Federal University named after the First President of Russia B. N. Yeltsin, Yekaterinburg, Russia
Full-text PDF (694 kB) Citations (2)
DOI: https://doi.org/10.21883/FTT.2021.11.51582.04s
Abstract: The crystallization of Lennard-Jones fluid under weak supercooling was studied in molecular dynamics simulation with the metadynamics method. The Steinhardt parameter $\mathcal Q_6$ for a group of particles around a random atom and the system's potential energy were chosen to describe phase transition. The change in collective variables was observed in the process of overcoming the activation barrier of crystallization. The critical nucleus formation data were obtained.
Keywords: metadynamics, Lennard-Jones fluid, metastability, activation barrier.
Funding agency Grant number
Russian Foundation for Basic Research 20-48-660027 р_а
This study was supported by the Russian Foundation for Basic Research, project no. 20-48-660027 r_a.
Received: 08.07.2021
Revised: 13.07.2021
Accepted: 16.07.2021
English version:
Physics of the Solid State, 2022, Volume 64, Issue 1, Pages 22–25
DOI: https://doi.org/10.1134/S1063783422010176
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: E. O. Rozanov, S. P. Protsenko, V. G. Baidakov, “Study of the activation barrier of metastable liquid crystallization by metadynamics”, Fizika Tverdogo Tela, 63:11 (2021), 1817–1820; Phys. Solid State, 64:1 (2022), 22–25
Citation in format AMSBIB
\Bibitem{RozProBai21}
\by E.~O.~Rozanov, S.~P.~Protsenko, V.~G.~Baidakov
\paper Study of the activation barrier of metastable liquid crystallization by metadynamics
\jour Fizika Tverdogo Tela
\yr 2021
\vol 63
\issue 11
\pages 1817--1820
\mathnet{http://mi.mathnet.ru/ftt7953}
\crossref{https://doi.org/10.21883/FTT.2021.11.51582.04s}
\elib{https://elibrary.ru/item.asp?id=46636893}
\transl
\jour Phys. Solid State
\yr 2022
\vol 64
\issue 1
\pages 22--25
\crossref{https://doi.org/10.1134/S1063783422010176}
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    • This publication is cited in the following 2 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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