Abstract :
[en] We study crystallization in a model system for eicosane (C20) by means of molecular dynamics
simulation and identify the microscopic mechanisms of homogeneous crystal nucleation and growth.
For the nucleation process, we observe that chains first align and then straighten. Then the local
density increases and finally the monomer units become ordered positionally. The subsequent crystal
growth process is characterized by a sliding-in motion of the chains. Chains preferably attach to the
crystalline cluster with one end and then move along the stems of already crystallized chains towards
their final position. This process is cooperative, i.e., neighboring chains tend to get attached in clusters
rather than independently.
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