Diffusion in amorphous media

Thesis by
Mihail S. Iotov

In Partial Fulfillment of the Requirements
for the Degree of
Doctor of Philosophy

California Institute of Technology
Pasadena, California
1998

(Submitted September 10, 1997)

The following items are all in the Adobe PDF file format.

Cover
Table of Contents
Chapter 1. Introduction
Chapter 2. Molecular Dynamics.
Chapter 3. Massively Parallel Molecular Simulation Program.
Chapter 4. Suite of programs for diffusion simulation.
Chapter 5. Methods for studying diffusion in Polymers:
Chapter 6. The Monte Carlo void method.
Chapter 7.
Appendix A. Message-passing algorithms.
Appendix B. Shared Memory Macro definitions.
Appendix C. API interface to the MPsim program.
Appendix D. Macro language for Mpsim.
Appendix E. Command line interface to the diffusion analysis toolkit.
Appendix F. Residence time extraction algorithm.