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A new approach that is a combination of classical thermodynamics and macroscopic kinetics is offered for studying the nucleation kinetics in condensed binary solutions. The theory covers the separation of liquid and solid solutions…

Chemical Physics · Physics 2018-11-14 Nikolay V. Alekseechkin

Accurate estimate of nucleation rate is crucial for the study of ice nucleation and ice-promoting/anti-freeze strategies. Within the framework of Classical Nucleation Theory (CNT), the estimate of ice nucleation rate is very sensitive to…

Soft Condensed Matter · Physics 2021-07-07 Chaohong Wang , Hao Wang , Jianyang Wu , Zhisen Zhang

While statistical mechanics provides a comprehensive framework for the understanding of equilibrium phase behavior, predicting the kinetics of phase transformations remains a challenge. Classical nucleation theory (CNT) provides a…

Statistical Mechanics · Physics 2019-06-12 David Richard , Thomas Speck

The critical radius of a nucleus grown by diffusion in a solution is studied thermodynamically as well as kinetically. The thermodynamic growth equation called Zeldovich equation of classical nucleation theory (CNT) and the kinetic…

Soft Condensed Matter · Physics 2014-03-05 Masao Iwamatsu

The nonisothermal single-component theory of droplet nucleation (Alekseechkin, 2014) is extended to binary case; the droplet volume V, composition x, and temperature T are the variables of the theory. An approach based on macroscopic…

Chemical Physics · Physics 2015-09-02 Nikolay V. Alekseechkin

We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a new prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant…

Chemical Physics · Physics 2015-07-19 Kyoko K. Tanaka , Hidekazu Tanaka , Raymond Angélil , Jürg Diemand

The classical nucleation theory (CNT) concept of a nucleus as a fragment of the bulk new phase fails for nanosized nuclei. An extension of CNT taking into account the properties of the transition region between coexisting bulk phases is…

Chemical Physics · Physics 2017-06-09 Nikolay V. Alekseechkin

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 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

We carry out molecular dynamics (MD) and Monte Carlo (MC) simulations to characterize nucleation in liquid clusters of 600 Lennard-Jones particles over a broad range of temperatures. We use the formalism of mean first-passage times to…

Materials Science · Physics 2016-10-05 Shahrazad M. A. Malek , Gregory P. Morrow , Ivan Saika-Voivod

The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the parent metastable phase fails to take into account the influence of other…

Statistical Mechanics · Physics 2015-06-18 Rakesh S. Singh , Biman Bagchi

We provide a field-theoretical description of thermal nucleation in a one-dimensional ferromagnetic superfluid, a quantum-gas analogue of false-vacuum decay. The rate at which ground-state domains nucleate follows an Arrhenius law, with an…

Quantum Gases · Physics 2026-01-13 Enrique Rozas Garcia , Johannes Hofmann

The task of a first principles theoretical calculation of the rate of gas to liquid nucleation has remained largely incomplete despite the existence of reliable results from unbiased simulation studies at large supersaturation. Although the…

Soft Condensed Matter · Physics 2024-02-26 Subhajit Acharya , Biman Bagchi

Usually, supercooled liquids and glasses are thermodynamically unstable against crystallization. Classical nucleation theory (CNT) has been used to describe the crystallization dynamics of supercooled liquids. However, recent studies on…

Soft Condensed Matter · Physics 2023-03-15 Yuki Takaha , Hideyuki Mizuno , Atsushi Ikeda

We show that the thermodynamic dislocation theory (TDT) predicts a scaling relation between stresses, strain rates, and temperatures for steady-state deformations of crystalline solids, and that this relation is accurately obeyed by a wide…

Materials Science · Physics 2020-12-30 J. S. Langer , K. C. Le

Heterogeneous nucleation is a process wherein extrinsic impurities facilitate freezing by lowering nucleation barriers and constitutes the dominant mechanism for crystallization in most systems. Classical nucleation theory (\textsc{Cnt})…

Soft Condensed Matter · Physics 2026-05-12 Fernanda Sulantay Vargas , Sarwar Hussain , Amir Haji-Akbari

The multivariable theory of nucleation [N. V. Alekseechkin, J. Chem. Phys. 124, 124512 (2006)] is applied to the droplet nucleation in a supersaturated single-component vapor; the droplet volume V, temperature T, and volume change rate…

Chemical Physics · Physics 2015-06-18 Nikolay V. Alekseechkin

We numerically investigate nucleation processes in the transient dynamics of the two-dimensional complex Ginzburg-Landau equation towards its "frozen" state with quasi-stationary spiral structures. We study the transition kinetics from…

Statistical Mechanics · Physics 2019-11-27 Weigang Liu , Uwe C. Täuber

We test classical nucleation theory (CNT) in the case of simulations of deeply supercooled, high density liquid silica, as modelled by the BKS potential. We find that at density $\rho=4.38$~g/cm$^3$, spontaneous nucleation of crystalline…

Soft Condensed Matter · Physics 2009-11-11 Ivan Saika-Voivod , Peter H. Poole , Richard K. Bowles

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
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