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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

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

Classical nucleation theory is used to estimate the free-energy barrier to nucleation of the solid phase of particles interacting via a potential which has a short-ranged attraction. Due to the high interfacial tension between the fluid and…

Soft Condensed Matter · Physics 2009-10-31 Richard P. Sear

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 reconsider the applicability of classical nucleation theory (CNT) to the calculation of the free energy of solid cluster formation in a liquid and its use to the evaluation of interface free energies from nucleation barriers. Using two…

Statistical Mechanics · Physics 2012-06-19 Santi Prestipino , Alessandro Laio , Erio Tosatti

The foundation for any discussion of first-order phse transitions is Classical Nucleation Theory(CNT). CNT, developed in the first half of the twentieth century, is based on a number of heuristically plausible assumtptions and the majority…

Chemical Physics · Physics 2018-11-14 James F. Lutsko

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

The Classical Nucleation Theory (CNT) has played a key role in crystal nucleation studies since the 19th century and has significantly advanced the understanding of nucleation. However, certain key assumptions of CNT, such as a compact and…

Materials Science · Physics 2023-11-22 Fangzheng Chen , Kian Cole Dahlberg , Zohar Nussinov , K. F. Kelton

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

Non-aligning self-propelled particles with purely repulsive excluded volume interactions undergo athermal motility-induced phase separation into a dilute gas and a dense cluster phase. Here, we use enhanced sampling computational methods…

Soft Condensed Matter · Physics 2016-10-05 Gabriel S. Redner , Caleb G. Wagner , Aparna Baskaran , Michael F. Hagan

A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for…

Materials Science · Physics 2018-05-09 Paul Jreidini , Gabriel Kocher , Nikolas Provatas

Homogeneous nucleation, a textbook transition path for phase transitions, is typically understood on thermodynamic grounds through the prism of classical nucleation theory. However, recent studies have suggested the applicability of…

Soft Condensed Matter · Physics 2025-12-08 Luke Langford , Ahmad K. Omar

Nucleation at large metastability is still largely an unsolved problem, although is a problem of tremendous current interest, with wide practical value. It is well-accepted that the classical nucleation theory (CNT) fails to provide a…

Statistical Mechanics · Physics 2010-12-22 Mantu Santra , Rakesh S. Singh , Biman Bagchi

An essential parameter of the Classical Nucleation Theory (CNT) is the surface energy between a critical-size nucleus and the ambient phase, $\sigma$. In condensed matter, this parameter cannot be experimentally determined independently of…

Soft Condensed Matter · Physics 2019-03-13 Daniel R. Cassar

Classical nucleation theory (CNT) is built upon the capillarity approximation, i.e., the assumption that the nucleation properties can be inferred from the bulk properties of the melt and the crystal. Although CNT's simplicity and…

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 basic physics of nucleation in solid \hl{single-crystal} nanoparticles is revealed by a phase-field theory that includes surface energy, chemical reactions and coherency strain. In contrast to binary fluids, which form arbitrary contact…

Materials Science · Physics 2014-09-17 Daniel A. Cogswell , Martin Z. Bazant

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

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

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
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