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Chemicals, plastics and rubber industries

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The relaxation dynamics of a supercooled liquid confined by Rough Walls

Article Abstract:

The setup of molecular dynamics computer simulations of a binary Lennard-Jones liquid confined between two parallel rough walls is used to study how the relaxation dynamics is affected by the pure effect of confinement, i.e., if structural changes are completely avoided. The results show that the relaxation dynamics of particles close to the interface are slowed by orders of magnitude with respect to the one in the bulk.

Author: Scheidler, Peter, Kob, Walter, Binder, Kurt
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Supercooled liquids

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Separation of fast and slow processes form a stochastic cage model of molecular dynamics

Article Abstract:

Mechanism of molecular relaxation in liquids using LSCM is described. This methodology could be an efficient tool to interpret spectroscopic measurements.

Author: Moro, Giorgio J., Polimeno, Antonino
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Learning models (Stochastic processes), Stochastic processes, Stochastic models

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Subjects list: Research, Analysis, Molecular dynamics, Chemistry, Physical and theoretical, Physical chemistry
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