Physical Sciences and Mathematics Commons^™

Advanced Monte Carlo Methods For The Study Of Nucleation, Troy David Loeffler

LSU Doctoral Dissertations

The process of nucleation is an essential part of understanding and controlling phase changes in a wide array of systems. In the past theories such as Classical Nucleation Theory have been used as a tool to aid experimentalist in the study of phase mechanisms. However, recent studies have shown in detail that theories such as this are not reliable, given that it can mispredict nucleation rates by several orders of magnitude. As a result newer methodologies must be developed into order to improve upon these deficiencies. In this study we use atomistic simulations to examine the non-ideal deviations from classical …