(74g) Unusual Crystallization Behavior Close to the Glass Transition
AIChE Annual Meeting
2018
2018 AIChE Annual Meeting
Engineering Sciences and Fundamentals
Computational Studies of Self-Assembly
Monday, October 29, 2018 - 9:30am to 9:45am
Using molecular simulation, we examine how the choice of crystallization conditions can impact the outcome of the process. Specifically, by carrying out the crystallization process close to the glass transition, we show how the nucleation free energy exhibits an unusual behavior and is found to increase as the temperature decreases and gets closer and closer to the glass transition. We interpret this finding as the result of the onset of a medium-range order, characterized by connected icosahedra, that is incompatible with the crystalline order, and leads to an increase in the height of the free energy barrier. We discuss applications of this approach to several systems.