| Reference : Solid phase properties and crystallization in simple model systems |
| Scientific journals : Article | |||
| Physical, chemical, mathematical & earth Sciences : Physics | |||
| http://hdl.handle.net/10993/16068 | |||
| Solid phase properties and crystallization in simple model systems | |
| English | |
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] | |
| Jan-2014 | |
| European Physical Journal. Special Topics | |
| EDP Sciences | |
| 223 | |
| 421-438 | |
| Yes (verified by ORBilu) | |
| International | |
| 1951-6355 | |
| 1951-6401 | |
| Les Ulis | |
| France | |
| [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 | |
| University of Luxembourg: High Performance Computing - ULHPC | |
| http://hdl.handle.net/10993/16068 | |
| 10.1140/epjst/e2014-02100-8 |
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