Crystal nucleation in liquids: Open questions and future challenges in molecular dynamics simulations
The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing
an important role in areas such as climate change and the production of drugs. As the early …
an important role in areas such as climate change and the production of drugs. As the early …
Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview
Here, we review the basic concepts and applications of the phase-field-crystal (PFC)
method, which is one of the latest simulation methodologies in materials science for …
method, which is one of the latest simulation methodologies in materials science for …
Crystal shape engineering
In an industrial crystallization process, crystal shape strongly influences end-product quality
and functionality, as well as downstream processing. In addition, nucleation events, solvent …
and functionality, as well as downstream processing. In addition, nucleation events, solvent …
[HTML][HTML] Phase-field modeling of crystal nucleation in undercooled liquids–A review
We review how phase-field models contributed to the understanding of various aspects of
crystal nucleation, including homogeneous and heterogeneous processes, and their role in …
crystal nucleation, including homogeneous and heterogeneous processes, and their role in …
The statistical mechanics of dynamic pathways to self-assembly
This review describes some important physical characteristics of the pathways (ie,
dynamical processes) by which molecular, nanoscale, and micrometer-scale self-assembly …
dynamical processes) by which molecular, nanoscale, and micrometer-scale self-assembly …
A general guidebook for the theoretical prediction of physicochemical properties of chemicals for regulatory purposes
The REACH regulation (recent EU regulation for “Registration, Evaluation, Authorization,
and Restriction of Chemicals”) entered its product-recording phase after December 2008. 1 …
and Restriction of Chemicals”) entered its product-recording phase after December 2008. 1 …
[HTML][HTML] The seven deadly sins: When computing crystal nucleation rates, the devil is in the details
The formation of crystals has proven to be one of the most challenging phase
transformations to quantitatively model—let alone to actually understand—be it by means of …
transformations to quantitatively model—let alone to actually understand—be it by means of …
Crystal nucleation as the ordering of multiple order parameters
Nucleation is an activated process in which the system has to overcome a free energy
barrier in order for a first-order phase transition between the metastable and the stable …
barrier in order for a first-order phase transition between the metastable and the stable …
Multistep nucleation of anisotropic molecules
Phase transition of anisotropic materials is ubiquitously observed in physics, biology,
materials science, and engineering. Nevertheless, how anisotropy of constituent molecules …
materials science, and engineering. Nevertheless, how anisotropy of constituent molecules …
Morphology selection kinetics of crystallization in a sphere
Crystallization under geometrical confinement is of fundamental importance in condensed
matter physics, biophysics and material science. Even the influence of the simplest …
matter physics, biophysics and material science. Even the influence of the simplest …