Reference : Derivation of an exact, nonequilibrium framework for nucleation: Nucleation is a prio...
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
Physics and Materials Science
Derivation of an exact, nonequilibrium framework for nucleation: Nucleation is a priori neither diffusive nor Markovian
Kuhnhold, Anja mailto [Albert-Ludwigs Universität Freiburg]
Meyer, Hugues mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Engineering Research Unit >]
Amati, Graziano mailto [Albert-Ludwigs Universität Freiburg]
Pelagejcev, Philipp mailto [Albert-Ludwigs Universität Freiburg]
Schilling, Tanja mailto [Albert-Ludwigs Universität Freiburg]
Physical Review. E.
American Physical Society
Yes (verified by ORBilu)
[en] Nucelation ; Non-markovian dynamics ; Coarse-graining
[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.
Fonds National de la Recherche - FnR
Researchers ; Professionals

File(s) associated to this reference

Fulltext file(s):

Limited access
10.1103@PhysRevE.100.052140.pdfPublisher postprint1 MBRequest a copy

Bookmark and Share SFX Query

All documents in ORBilu are protected by a user license.