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The classical nucleation theory (CNT) and its modified versions provide a convenient framework for describing the nucleation process under the capillary approximation. However, these models often predict nucleation rates that depart…

Soft Condensed Matter · Physics 2024-10-30 Yijian Wu , Thomas Philippe

Using state-of-the-art rare-event sampling simulations, we precisely characterize the nucleation of liquid droplets from a supersaturated Lennard-Jones gas and uncover a key physical feature: critical clusters nucleate with a density that…

Chemical Physics · Physics 2026-01-07 Yijian Wu , Thomas Philippe , Aymane Graini , Julien Lam

Bubble nucleation in water induced by boiling, gas supersaturation or cavitation usually originates from pre-existing gas cavities trapped into solid defects. Even though the destabilization of such gas pockets, called nuclei, has been…

Fluid Dynamics · Physics 2020-02-19 Adrien Bussonnière , Qingxia Liu , Peichun Amy Tsai

Homogeneous nucleation is formulated within the context of fluctuating hydrodynamics. It is shown that for a colloidal or macromolecular system in the strong damping limit the most likely path for nucleation can be determined by gradient…

Soft Condensed Matter · Physics 2011-10-27 James F. Lutsko

Understanding the pathways to crystallization during the deposition of a vapor phase on a cold solid substrate is of great interest in industry, e.g., for the realization of electronic devices made of crystallites-free glassy materials, as…

Soft Condensed Matter · Physics 2023-10-03 Fabio Leoni , Hajime Tanaka , John Russo

The steady-state homogeneous vapor-to-liquid nucleation and the succeeding liquid droplet growth process are studied for water system by means of the coarse-grained molecular dynamics simulations with the mW-model suggested originally in…

Soft Condensed Matter · Physics 2012-10-03 Anatolii V. Mokshin , Bulat N. Galimzyanov

Recently-reported data suggest that bubble nucleation on surfaces with nano-sized features (cavities and posts) may occur close to the thermodynamic saturation temperature. However, according to the traditional theory of heterogeneous…

We investigate vapor bubble nucleation in metastable TIP4P/2005 water at negative pressure via the Mean First Passage Time (MFPT) method using the volume of the largest bubble as a local order parameter. We identify the bubbles in the…

Statistical Mechanics · Physics 2015-06-15 Jose L. F. Abascal , Miguel A. Gonzalez , Juan L. Aragones , C. Valeriani

The multivariable theory of nucleation [J. Chem. Phys. 124, 124512 (2006)] is applied to the problem of vapor bubbles formation in pure liquids. The presented self-consistent macroscopic theory of this process employs thermodynamics…

Soft Condensed Matter · Physics 2012-05-03 Nikolay V. Alekseechkin

Pressure reduction in liquids may result in vaporization and bubble formation. This thermodynamic process is termed cavitation. It is commonly observed in hydraulic machinery, ship propellers, and even in medical therapy within the human…

Bubble chambers and droplet detectors used in dosimetry and dark matter particle search experiments use a superheated metastable liquid in which nuclear recoils trigger bubble nucleation. This process is described by the classical heat…

Computational Physics · Physics 2016-02-17 Philipp Denzel , Jürg Diemand , Raymond Angélil

Nucleation in supersaturated vapor is investigated with two series of molecular dynamics simulations in the canonical ensemble. The applied methods are: (a) analysis of critical nuclei at moderate supersaturations by simulating equilibria…

Chemical Physics · Physics 2009-11-13 Martin Horsch , Jadran Vrabec , Hans Hasse

The formation and entrapment of gas bubbles during solidification significantly influence the microstructure and mechanical properties of materials, from metallic alloys to ice. While gas segregation at the solidification front is…

Soft Condensed Matter · Physics 2026-04-14 Bastien Isabella , Cécile Monteux , Sylvain Deville

Results for the kinetics of vapor-liquid transitions, following temperature quenches with different densities, are presented from the molecular dynamics simulations of a Lennard-Jones system. For critical density, bicontinuous liquid and…

Statistical Mechanics · Physics 2018-03-09 Sutapa Roy , Subir K. Das

We study by computer simulation the nucleation of a supersaturated Lennard-Jones vapor into the liquid phase. The large free energy barriers to transition make the time scale of this process impossible to study by ordinary molecular…

Statistical Mechanics · Physics 2018-08-15 Pablo M. Piaggi , Omar Valsson , Michele Parrinello

In spallation neutron sources, liquid mercury is the subject of big thermal and pressure shocks, upon adsorbing the proton beam. These changes can cause unstable bubbles in the liquid, which can damage the structural material. While there…

A recently formulated description of homogeneous nucleation for Brownian particles in the over-damped limit based on fluctuating hydrodynamics is used to determine the nucleation pathway, characterized as the most likely path (MLP), for the…

Soft Condensed Matter · Physics 2012-10-18 James F. Lutsko

We used molecular dynamics simulations and the path sampling technique known as forward flux sampling to study homogeneous nucleation of NaCl crystals from supersaturated aqueous solutions at 298 K and 1 bar. Nucleation rates were obtained…

Chemical Physics · Physics 2018-02-14 Hao Jiang , Amir Haji-Akbari , Pablo G. Debenedetti , Athanassios Z. Panagiotopoulos

Vapor bubbles are formed in liquids by two mechanisms: evaporation (temperature above the boiling threshold) and cavitation (pressure below the vapor pressure). The liquid resists in these metastable (overheating and tensile, respectively)…

Soft Condensed Matter · Physics 2018-05-30 Mirko Gallo , Francesco Magaletti , Carlo Massimo Casciola

We report the observation of vortex formation upon the absorption of a thermal neutron in a rotating container of superfluid $^3$He-B. The nuclear reaction n + $^3$He = p + $^3$H + 0.76MeV heats a cigar shaped region of the superfluid into…