Files in this item



application/pdf2001_shakhnovich.pdf (3MB)Restricted to U of Illinois


Title:The statistical mechanics of continuous random networks
Author(s):Shakhnovich, Konstantin A.
Doctoral Committee Chair(s):Goldbart, Paul M.
Department / Program:Physics
Subject(s):statistical mechanics
constinuous random networks
joint probability distribution
Abstract:Under sufficient permanent random covalent bonding, a fluid of atoms or small molecules is transformed into an amorphous solid network. Being amorphous, local structural properties in such networks vary across the sample. A natural order parameter, resulting from a statistical-mechanical approach, captures information concerning this heterogeneity via a certain joint probability distribution. This joint probability distribution describes the variations in the positional and orientational localization of the particles, reflecting the random environments experienced by them, as well as further information characterizing the thermal motion of particles. A complete solution, valid in the vicinity of the amorphous solidification transition, is constructed essentially analytically for the amorphous solid order parameter. Knowledge of this order parameter allows us to draw certain conclusions about the stucture and heterogeneity of randomly covalently bonded atomic or molecular network solids in the vicinity of the amorphous solidification transition. These conclusions are then compared to the results of moleculardynamics simulations of the model and are found to be in good agreement with them. Results of simulations of the system far from the transition are also presented. Robustness of the results of the simulations supports the conclusion that the results obtained are not limited to the context of the particular model presented here, but are, instead, a consequence of the symmetries of the system.
Issue Date:2001
Genre:Dissertation / Thesis
Other Identifier(s):4423491
Rights Information:©2001 Shakhnovich
Date Available in IDEALS:2012-06-05

This item appears in the following Collection(s)

Item Statistics