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Despite the simplicity of the water molecule, the kinetics of ice nucleation under natural conditions can be complex. We investigated spontaneously grown ice nuclei using all-atom molecular dynamics simulations and found significant…

Soft Condensed Matter · Physics 2025-04-28 Maodong Li , Yupeng Huang , Yijie Xia , Dechin Chen , Cheng Fan , Lijiang Yang , Yi Qin Gao , Yi Isaac Yang

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

A widely spread method of crystal preparation is to precipitate it from a supersaturated solution. In such a process, control of solution concentration is of paramount importance. Nucleation process, polymorph selection, and crystal habits…

Soft Condensed Matter · Physics 2019-07-10 Tarak Karmakar , Pablo M. Piaggi , Michele Parrinello

In concentrated electrolytes with asymmetric or irregular ions, such as ionic liquids and solvent-in-salt electrolytes, ion association is more complicated than simple ion-pairing. Large branched aggregates can form at significant…

During the processes of nucleation and growth of a precipitate cluster from a supersaturated solution, the diffusion flux between the cluster and the solution changes the solute concentration near the cluster-solution interface from its…

Chemical Physics · Physics 2016-06-08 Alexander Borisenko

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

Heterogeneous nucleation on catalytic surfaces plunged into a fluid is described through a stochastic model. To generate this non-equilibrium process we assume that the turn on of a electrostatic potential triggers a complex dynamics that…

Chemical Physics · Physics 2007-05-23 P. C. T. Dajello , I. Mozolevski , Z. G. S. Kipervaser

A general theory of nucleation for colloids and macromolecules in solution is formulated within the context of fluctuating hydrodynamics. A formalism for the determination of nucleation pathways is developed and stochastic differential…

Soft Condensed Matter · Physics 2012-01-23 James F. Lutsko

Here we develop a formalism for reversible ionic aggregation kinetics in an example concentrated electrolyte, building on previous equilibrium work of McEldrew and co-workers, and thermoreversible polymers and patchy particle systems. This…

Soft Condensed Matter · Physics 2026-05-04 Zachary A. H. Goodwin

Debye-H\"{u}ckel theory, originally developed to describe dilute electrolyte solutions, has proved particularly successful as a description of magnetic monopoles in spin ice systems such as Dy$_{2}$Ti$_{2}$O$_{7}$. For this model, Ryzhkin…

Strongly Correlated Electrons · Physics 2023-12-06 Omar J. Abbas , Steven T. Bramwell , Daan M. Arroo

We study the transient response of an electrolytic cell subject to a small, suddenly applied temperature increase at one of its two bounding electrode surfaces. An inhomogeneous temperature profile then develops, causing, via the Soret…

Chemical Physics · Physics 2019-05-01 Mathijs Janssen , Markus Bier

In experiments where ultraviolet light produces aerosols from trace amounts of ozone, sulphur dioxide, and water vapour, the number of additional small particles produced by ionization by gamma sources all grow up to diameters larger than…

Atomic and Molecular Clusters · Physics 2015-06-04 Henrik Svensmark , Martin B. Enghoff , Jens Olaf Pepke Pedersen

It is shown that diffusion-limited classical nucleation theory (CNT) can be recovered as a simple limit of the recently proposed dynamical theory of nucleation based on fluctuating hydrodynamics (Lutsko, JCP 136, 034509 (2012)). The same…

Chemical Physics · Physics 2013-09-19 James F. Lutsko , Miguel A. Durán-Olivencia

We study the conditions under which and how an imposed cluster of fixed colloidal particles at prescribed positions triggers crystal nucleation from a metastable colloidal fluid. Dynamical density functional theory of freezing and Brownian…

Soft Condensed Matter · Physics 2009-11-13 Sven van Teeffelen , Christos N. Likos , Hartmut Löwen

According to classical nucleation theory, a crystal grows from a small nucleus that already bears the symmetry of its end phase - but experiments with colloids now reveal that, from an amorphous precursor, crystallites with different…

Materials Science · Physics 2014-07-15 László Gránásy , Gyula I. Tóth

We theoretically investigate homogeneous crystal nucleation in a solution containing a solute and a volatile solvent. The solvent evaporates from the solution, thereby continuously increasing the concentration of the solute. We view it as…

Soft Condensed Matter · Physics 2023-11-16 R. de Bruijn , J. J. Michels , P. van der Schoot

Solvation of ions is ubiquitous on our planet. Solvated ions have a profound effect on the behavior of ionic solutions, which is crucial in nature and technology. Experimentally, ions have been classified into "structure makers" or…

Soft Condensed Matter · Physics 2021-07-27 Rui Shi , Anthony J. Cooper , Hajime Tanaka

Transient homogeneous nucleation is studied in the limit of large critical sizes. Starting from pure monomers, three eras of transient nucleation are characterized in the classic Becker-D\"oring kinetic equations with two different models…

Materials Science · Physics 2009-11-10 J. C. Neu , L. L. Bonilla , A. Carpio

Using molecular dynamics simulations and methods of importance sampling, we study the thermodynamics and dynamics of sodium chloride in the aqueous premelting layer formed spontaneously at the interface between ice and its vapor. We uncover…

Statistical Mechanics · Physics 2020-12-21 Samuel P. Niblett , David T. Limmer

Nucleation is the onset of a first-order phase transition by which a metastable phase transforms into a more stable one. Such a phase transition occurs when an initial system initially in equilibrium is destabilized by the change of an…

Materials Science · Physics 2010-01-27 Emmanuel Clouet
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