Reference : Derivation of an exact, nonequilibrium framework for nucleation: Nucleation is a prio...

	Document type :	Scientific journals : Article
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics
	Focus Areas :	Physics and Materials Science
	To cite this reference:	http://hdl.handle.net/10993/44123

Title :	Derivation of an exact, nonequilibrium framework for nucleation: Nucleation is a priori neither diffusive nor Markovian
Language :	English
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]
Publication date :	25-Nov-2019
Journal title :	Physical Review. E.
Publisher :	American Physical Society
Volume :	100
Issue/season :	5
Pages :	052140
Peer reviewed :	Yes (verified by ORBilu)
Audience :	International
ISSN :	2470-0045
e-ISSN :	2470-0053
City :	Ridge
Country :	NY
Keywords :	[en] 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.
Funders :	Fonds National de la Recherche - FnR
Target :	Researchers ; Professionals
Permalink :	http://hdl.handle.net/10993/44123
DOI :	10.1103/PhysRevE.100.052140
Other URL :	https://journals.aps.org/pre/abstract/10.1103/PhysRevE.100.052140

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