Crystal nucleation in liquids: Open questions and future challenges in molecular dynamics simulations

GC Sosso, J Chen, SJ Cox, M Fitzner… - Chemical …, 2016 - ACS Publications
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 …

Classical dynamical density functional theory: from fundamentals to applications

M te Vrugt, H Löwen, R Wittkowski - Advances in Physics, 2020 - Taylor & Francis
Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern
statistical mechanics. It is an extension of the highly successful method of classical density …

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 …

Structure of electric double layers in capacitive systems and to what extent (classical) density functional theory describes it

A Härtel - Journal of Physics: Condensed Matter, 2017 - iopscience.iop.org
Ongoing scientific interest is aimed at the properties and structure of electric double layers
(EDLs), which are crucial for capacitive energy storage, water treatment, and energy …

[HTML][HTML] Molecular scale hydrodynamic theory of crystal nucleation and polycrystalline growth

F Podmaniczky, L Gránásy - Journal of Crystal Growth, 2022 - Elsevier
We present recent advances in phase-field crystal (PFC) modeling of crystal nucleation in
simple undercooled liquids, where dynamics is based on hydrodynamic density relaxation …

General framework for fluctuating dynamic density functional theory

MA Durán-Olivencia, P Yatsyshin… - New Journal of …, 2017 - iopscience.iop.org
We introduce a versatile bottom-up derivation of a formal theoretical framework to describe
(passive) soft-matter systems out of equilibrium subject tofluctuations. We provide a unique …

Dislocation-free growth of quasicrystals from two seeds due to additional phasonic degrees of freedom

M Schmiedeberg, CV Achim, J Hielscher, SC Kapfer… - Physical Review E, 2017 - APS
We explore the growth of two-dimensional quasicrystals, ie, aperiodic structures that
possess long-range order, from two seeds at various distances and with different …

Dynamical density functional theory for orientable colloids including inertia and hydrodynamic interactions

MA Durán-Olivencia, BD Goddard… - Journal of Statistical …, 2016 - Springer
Over the last few decades, classical density-functional theory (DFT) and its dynamic
extensions (DDFTs) have become powerful tools in the study of colloidal fluids. Recently …

Growth of two-dimensional dodecagonal colloidal quasicrystals: Particles with isotropic pair interactions with two length scales vs. patchy colloids with preferred …

A Gemeinhardt, M Martinsons… - The European Physical …, 2018 - Springer
We explore the growth of colloidal quasicrystals with dodecagonal symmetry in two
dimensions by employing Brownian dynamics simulations. On the one hand, we study the …

Stabilizing quasicrystals composed of patchy colloids by narrowing the patch width

A Gemeinhardt, M Martinsons… - Europhysics …, 2019 - iopscience.iop.org
We explore the behavior of two-dimensional patchy colloidal particles with 8 or 10
symmetrically arranged patches by employing Monte Carlo simulations. The particles …