Volume 42, Number 6, June II 1998
|Page(s)||637 - 642|
|Section||Condensed matter: structure, thermal and mechanical properties|
|Published online||01 September 2002|
Crystallization in a model glass: Influence of the boundary conditions
Laboratoire des Verres, UMR 5587 CNRS,
Université Montpellier II, Place Eugène Bataillon, 34095 Montpellier Cedex 5, France
Accepted: 20 April 1998
Using molecular dynamics calculations and the Voronoï tessellation, we study the evolution of the local structure of a soft-sphere glass vs. temperature starting from the liquid phase at different quenching rates. This study is done for different sizes and for two different boundary conditions, namely the usual cubic periodic boundary conditions and the isotropic hyperspherical boundary conditions for which the particles evolve on the surface of a hypersphere in four dimensions. Our results show that for small system sizes, crystallization can indeed be induced by the cubic boundary conditions. On the other hand, we show that finite-size effects are more pronounced on the hypersphere and that crystallization is artificially inhibited even for large system sizes.
PACS: 61.43.Bn – Structural modeling: serial-addition models, computer simulation / 64.70.Pf – Glass transitions / 61.50.Ah – Theory of crystal structure, crystal symmetry; calculations and modeling
© EDP Sciences, 1998
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