The statistical mechanics of continuous random networks
Shakhnovich, Konstantin A.
This item is only available for download by members of the University of Illinois community. Students, faculty, and staff at the U of I may log in with your NetID and password to view the item. If you are trying to access an Illinois-restricted dissertation or thesis, you can request a copy through your library's Inter-Library Loan office or purchase a copy directly from ProQuest.
Permalink
https://hdl.handle.net/2142/31338
Description
Title
The statistical mechanics of continuous random networks
Author(s)
Shakhnovich, Konstantin A.
Issue Date
2001
Doctoral Committee Chair(s)
Goldbart, Paul M.
Department of Study
Physics
Discipline
Physics
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
statistical mechanics
constinuous random networks
joint probability distribution
Language
en
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.
Use this login method if you
don't
have an
@illinois.edu
email address.
(Oops, I do have one)
IDEALS migrated to a new platform on June 23, 2022. If you created
your account prior to this date, you will have to reset your password
using the forgot-password link below.
