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Recent advances in classical density functional theory are combined with stochastic process theory and rare event techniques to formulate a theoretical description of nucleation, including crystallization, that can predict nonclassical…

Chemical Physics · Physics 2019-04-09 James F. Lutsko

Crystallization, a prototypical self-organization process during which a disordered state spontaneously transforms into a crystal characterized by a regular arrangement of its building blocks, usually proceeds by nucleation and growth. In…

Computational Physics · Physics 2017-10-06 Swetlana Jungblut , Christoph Dellago

Colloidal model systems allow studying crystallization kinetics under fairly ideal conditions with rather well characterized pair interactions and minimized external influences. In complementary approaches therefore experiment, analytic…

Soft Condensed Matter · Physics 2015-06-19 Thomas Palberg

Ice nucleation is a process of great relevance in physics, chemistry, technology and environmental sciences, much theoretical and experimental efforts have been devoted to its understanding, but still it remains a topic of intense research.…

Soft Condensed Matter · Physics 2019-06-26 Haiyang Niu , Yi Isaac Yang , Michele Parrinello

Driven chemical reactions can control the macroscopic properties of droplets, like their size. Such active droplets are critical in structuring the interior of biological cells. Cells also need to control where and when droplets appear, so…

Soft Condensed Matter · Physics 2024-03-15 Noah Ziethen , Jan Kirschbaum , David Zwicker

Studies of nucleation generally focus on the properties of the critical cluster, but the presence of defects within the crystal lattice means that the population of nuclei necessarily evolve through a distribution of pre-critical clusters…

Soft Condensed Matter · Physics 2022-06-29 Richard K. Bowles , Peter Harrowell

Nucleation phenomena commonly observed in our every day life are of fundamental, technological and societal importance in many areas, but some of their most intimate mechanisms remain however to be unravelled. Crystal nucleation, the early…

Disordered Systems and Neural Networks · Physics 2021-09-17 Sébastien Becker , Emilie Devijver , Rémi Molinier , Noël Jakse

Understanding the underlying mechanism of crystal nucleation during solidification is a fundamental aspect in the prediction and control of materials properties. Classical nucleation theory (CNT) assumes that homogeneous nucleation occurs…

Computational Physics · Physics 2018-12-14 Grisell Diaz Leines , Jutta Rogal

One of water's unsolved puzzles is the question of what determines the lowest temperature to which it can be cooled before freezing to ice. The supercooled liquid has been probed experimentally to near the homogeneous nucleation temperature…

Soft Condensed Matter · Physics 2011-12-08 Emily B. Moore , Valeria Molinero

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 microstructure evolution. We recall results obtained both by the…

Droplets are essential for spatially controlling biomolecules in cells. To work properly, cells need to control the emergence and morphology of droplets. On the one hand, driven chemical reactions can affect droplets profoundly. For…

Soft Condensed Matter · Physics 2024-03-14 Noah Ziethen , David Zwicker

Most substances can crystallise into two or more different crystal lattices, called polymorphs. Despite this, there are no systems in which we can quantitatively predict the probability of one competing polymorph forming, instead of the…

Soft Condensed Matter · Physics 2017-10-25 Laurie J. Little , Alice A. K. King , Richard P. Sear , Joseph L. Keddie

We investigate crystal nucleation in supersaturated colloid suspensions using enhanced molecular dynamics simulations augmented with machine learning techniques. The simulations reveal that crystallization in the model colloidal system…

Soft Condensed Matter · Physics 2024-04-30 Vanessa J. Meraz , Ziyue Zou , Pratyush Tiwary

Ice formation is one of the most common and important processes on earth and almost always occurs at the surface of a material. A basic understanding of how the physicochemical properties of a material's surface affect its ability to form…

Materials Science · Physics 2015-06-01 Stephen J. Cox , Shawn M. Kathmann , Ben Slater , Angelos Michaelides

Recently, it was shown that a theoretical description of nucleation based on fluctuating hydrodynamics and classical density functional theory can be used to determine non-classical nucleation pathways for crystallization (Lutsko, Sci. Adv.…

Chemical Physics · Physics 2024-06-26 James F. Lutsko , Cédric Schoonen

In the study of crystal nucleation via computer simulations, hard spheres are arguably the most extensively explored model system. Nonetheless, even in this simple model system, the complex thermodynamics of crystal nuclei can sometimes…

Soft Condensed Matter · Physics 2025-02-19 Marjolein de Jager , Carlos Vega , Pablo Montero de Hijes , Frank Smallenburg , Laura Filion

Crystallization from a supercooled liquid initially proceeds via the formation of a small solid embryo (nucleus), which requires surmounting an activation barrier. This phenomenon is most easily studied by numerical simulation, using…

Soft Condensed Matter · Physics 2018-04-27 Santi Prestipino

Controlled crystallization, melting and vitrification are important fundamental processes in nature and technology. However, the microscopic details of these fundamental phenomena still lack understanding, in particular how the cooling rate…

Soft Condensed Matter · Physics 2024-07-08 M. P. M. Schelling , T. W. J. Verouden , T. C. M. Stevens , J. -M. Meijer

The crystallization of a metastable melt is one of the most important non equilibrium phenomena in condensed matter physics, and hard sphere colloidal model systems have been used for several decades to investigate this process by…

Soft Condensed Matter · Physics 2015-05-20 Tanja Schilling , Sven Dorosz , Hans Joachim Schoepe , George Opletal

One of the most ubiquitous and technologically important phenomena in nature is the nucleation of homogeneous flowing systems. The microscopic effects of shear on a nucleating system are still imperfectly understood, although in recent…

Soft Condensed Matter · Physics 2021-08-11 Amrita Goswami , Jayant K. Singh