Article (Scientific journals)
Derivation of an exact, nonequilibrium framework for nucleation: Nucleation is a priori neither diffusive nor Markovian
Kuhnhold, Anja; Meyer, Hugues; Amati, Graziano et al.
2019In Physical Review. E, 100 (5), p. 052140
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Keywords :
Nucelation; Non-markovian dynamics; Coarse-graining
Abstract :
[en] We discuss the structure of the equation of motion that governs nucleation processes at first order phase transitions. From the underlying microscopic dynamics of a nucleating system, we derive by means of a nonequilibrium projection operator formalism the equation of motion for the size distribution of the nuclei. The equation is exact, ie, the derivation does not contain approximations. To assess the impact of memory, we express the equation of motion in a form that allows for direct comparison to the Markovian limit. As a numerical test, we have simulated crystal nucleation from a supersaturated melt of particles interacting via a Lennard-Jones potential. The simulation data show effects of non-Markovian dynamics.
Disciplines :
Physics
Author, co-author :
Kuhnhold, Anja;  Albert-Ludwigs Universität Freiburg
Meyer, Hugues ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Engineering Research Unit
Amati, Graziano;  Albert-Ludwigs Universität Freiburg
Pelagejcev, Philipp;  Albert-Ludwigs Universität Freiburg
Schilling, Tanja;  Albert-Ludwigs Universität Freiburg
External co-authors :
yes
Language :
English
Title :
Derivation of an exact, nonequilibrium framework for nucleation: Nucleation is a priori neither diffusive nor Markovian
Publication date :
25 November 2019
Journal title :
Physical Review. E
ISSN :
2470-0053
Publisher :
American Physical Society, Ridge, United States - New York
Volume :
100
Issue :
5
Pages :
052140
Peer reviewed :
Peer Reviewed verified by ORBi
Focus Area :
Physics and Materials Science
Funders :
FNR - Fonds National de la Recherche [LU]
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