Heterogeneous Crystallization on Pairs of Pre-Structured Seeds.

ABSTRACT: Studying the effects of small pre-structured seeds on the crystallization transition in an undercooled monodisperse Lennard-Jones fluid with transition interface path sampling combined with molecular dynamics simulations, we analyze the impact of the simultaneous presence of two seeds with various structures. In the presence of seeds with face- and body-centered cubic structures, we find that decreasing the seed-to-seed distance enhances the probability of the crystalline clusters formed on one of the seeds to grow beyond the critical size, thus, increasing the crystal nucleation rates. In contrast, when seeds have an icosahedral structure, the crystalline clusters form mostly in the bulk. The crystal nucleation rate, however, is also determined by the distance between the seeds with regul

SUBMITTER: Jungblut S 

PROVIDER: S-EPMC5011298 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature