Examination of dynamic facilitation in molecular dynamics simulations of glass-forming liquids
Article Abstract:
The ideas introduced by Garrahan and Chandler (GC), with a particular emphasis on dynamic facilitation (DF) and its relation to spatially heterogeneous dynamics (SHD) are examined. The results are compared with a study of BKS silica in order to establish similarities and differences in DF between these two systems of differing fragilities.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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On the interplay between CH...O an OH...O interactions in determining crystal packing and molecular conformation: An experimental and theoretical charge density study of the fungal secondary metabolite austdiol [C(sub12)H(sub 12)O(sub 5)]
Article Abstract:
An extensive quantitative study of all intra- and intermolecular H...O reactions based on geometrical criteria and on topological analysis of rho(r) is conducted. An experimental, quantititative evidence is given that CH...O HBs are very similar to the conventional OH...O HBs, albeit generally weaker.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Influence of the intermediate-range order on glass formation
Article Abstract:
A demonstration of an enhanced icosahedral intermediate-range order with undercooling in Fe-Al liquids that form icosahedral structures are presented. The results indicate that the local order in the liquid strongly influences the nucleation of the specific phases.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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