3 papers
cond-mat.soft2025
Kinetic phase diagram for two-step nucleation in colloid-polymer mixtures
Willem Gispen, Peter G. Bolhuis, Marjolein Dijkstra
Two-step crystallization via a metastable intermediate phase is often regarded as a non-classical process that lies beyond the framework of classical nucleation theory (CNT). In th…
cond-mat.soft2024
The bcc coating of Lennard-Jones crystal nuclei vanishes with a change of local structure detection algorithm
Willem Gispen, Alberto Pérez de Alba OrtÃz, Marjolein Dijkstra
Since the influential work of ten Wolde, Ruiz-Montero, and Frenkel [Phys. Rev. Lett. 75, 2714 (1995)], crystal nucleation from a Lennard-Jones fluid has been regarded as a paradigm…
cond-mat.soft2024
Variational Umbrella Seeding for Calculating Nucleation Barriers
Willem Gispen, Jorge R. Espinosa, Eduardo Sanz +2
In this work, we introduce Variational Umbrella Seeding, a novel technique for computing nucleation barriers. This new method, a refinement of the original seeding approach, is far…