Power functional theory for many-body dynamics

M Schmidt - Reviews of Modern Physics, 2022 - APS
The rich and diverse dynamics of particle-based systems ultimately originates from the
coupling of their degrees of freedom via internal interactions. To arrive at a tractable …

Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

H Emmerich, H Löwen, R Wittkowski, T Gruhn… - Advances in …, 2012 - Taylor & Francis
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 …

Seeding approach to crystal nucleation

JR Espinosa, C Vega, C Valeriani… - The Journal of chemical …, 2016 - pubs.aip.org
We present a study of homogeneous crystal nucleation from metastable fluids via the
seeding technique for four different systems: mW water, Tosi-Fumi NaCl, Lennard-Jones …

Crystallization kinetics of colloidal model suspensions: recent achievements and new perspectives

T Palberg - Journal of Physics: Condensed Matter, 2014 - iopscience.iop.org
Colloidal model systems allow studying crystallization kinetics under fairly ideal conditions,
with rather well-characterized pair interactions and minimized external influences. In …

Colloidal hard spheres: Triumphs, challenges and mysteries

CP Royall, P Charbonneau, M Dijkstra, J Russo… - arXiv preprint arXiv …, 2023 - arxiv.org
The simplicity of hard spheres as a model system is deceptive. Although the particles
interact solely through volume exclusion, that nevertheless suffices for a wealth of static and …

Perspective: The Asakura Oosawa model: A colloid prototype for bulk and interfacial phase behavior

K Binder, P Virnau, A Statt - The Journal of chemical physics, 2014 - pubs.aip.org
In many colloidal suspensions, the micrometer-sized particles behave like hard spheres, but
when non-adsorbing polymers are added to the solution a depletion attraction (of entropic …

Crystallization seeds favour crystallization only during initial growth

E Allahyarov, K Sandomirski, SU Egelhaaf… - Nature …, 2015 - nature.com
Crystallization represents the prime example of a disorder–order transition. In realistic
situations, however, container walls and impurities are frequently present and hence …

The role of fivefold symmetry in suppressing crystallization

J Taffs, C Patrick Royall - Nature communications, 2016 - nature.com
Although long assumed to have an important role in the suppression of crystallization and
the development of glassformers, the effect of local fivefold symmetry has never been …

[HTML][HTML] Machine-learning free-energy functionals using density profiles from simulations

P Cats, S Kuipers, S De Wind, R Van Damme, GM Coli… - APL Materials, 2021 - pubs.aip.org
The formally exact framework of equilibrium Density Functional Theory (DFT) is capable of
simultaneously and consistently describing thermodynamic and structural properties of …

Overview: Experimental studies of crystal nucleation: Metals and colloids

DM Herlach, T Palberg, I Klassen, S Klein… - The Journal of chemical …, 2016 - pubs.aip.org
Crystallization is one of the most important phase transformations of first order. In the case of
metals and alloys, the liquid phase is the parent phase of materials production. The …