Article (Scientific journals)
Solid phase properties and crystallization in simple model systems
Turci, Francesco; Schilling, Tanja; Yamani, M.H et al.
2014In European Physical Journal. Special Topics, 223, p. 421-438
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Abstract :
[en] We review theoretical and simulational approaches to the description of equilibrium bulk crystal and interface properties as well as to the nonequilibrium processes of homogeneous and heterogeneous crystal nucleation for the simple model systems of hard spheres and Lennard–Jones particles. For the equilibrium properties of bulk and interfaces, density functional theories employing fundamental measure functionals prove to be a precise and versatile tool, as exemplified with a closer analysis of the hard sphere crystal–liquid interface. A detailed understanding of the dynamic process of nucleation in these model systems nevertheless still relies on simulational approaches. We review bulk nucleation and nucleation at structured walls and examine in closer detail the influence of walls with variable strength on nucleation in the Lennard–Jones fluid. We find that a planar crystalline substrate induces the growth of a crystalline film for a large range of lattice spacings and interaction potentials. Only a strongly incommensurate substrate and a very weakly attractive substrate
Research center :
ULHPC - University of Luxembourg: High Performance Computing
Disciplines :
Physics
Author, co-author :
Turci, Francesco ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Schilling, Tanja ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Yamani, M.H;  Universität Tübingen > Institut für Angewandte Physik
Oettel, Martin;  Universität Tübingen > Institut für Angewandte Physik
Language :
English
Title :
Solid phase properties and crystallization in simple model systems
Publication date :
January 2014
Journal title :
European Physical Journal. Special Topics
ISSN :
1951-6401
Publisher :
EDP Sciences, Les Ulis, France
Volume :
223
Pages :
421-438
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBilu :
since 18 March 2014

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