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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

One striking anomaly of water ice has been largely neglected and never explained. Replacing hydrogen ($^1$H) by deuterium ($^2$H) causes ice to expand, whereas the "normal" isotope effect is volume contraction with increased mass.…

Materials Science · Physics 2012-08-10 B. Pamuk , J. M. Soler , R. Ramirez , C. P. Herrero , P. W. Stephens , P. B. Allen , M. V. Fernandez-Serra

Guidelines for growing insulin crystals of a uniform size are formulated and tested experimentally. A simple theoretical model based on the balance of matter predicts the time evolution of the crystal size and supersaturation. The time…

Materials Science · Physics 2013-01-11 Christo N. Nanev , Vesselin D. Tonchev , Feyzim V. Hodzhaoglu

We determine the non-equilibrium grain size distribution during the crystallization of a solid in $d$ dimensions at fixed thermodynamic conditions, for the random nucleation and growth model, and in absence of grain coalescence. Two…

Materials Science · Physics 2013-10-25 Kimberly S. Lokovic , Ralf B. Bergmann , Andreas Bill

We develop a theory for nucleation on top of islands in epitaxial growth based on the derivation of lifetimes and rates governing individual microscopic processes. These processes are strongly affected by the additional step edge barrier…

Materials Science · Physics 2009-10-31 S. Heinrichs , J. Rottler , Ph. Maass

We provide a fully analytical microscopic theory for the proton correlations in water ice $I_h$. We compute the full diffuse elastic neutron scattering structure factor, which we find to be in excellent quantitative agreement with Monte…

Statistical Mechanics · Physics 2015-08-19 S. V. Isakov , R. Moessner , S. L. Sondhi , D. A. Tennant

We derive a phase diagram for amorphous solids and liquid supercooled water and explain why the amorphous solids of water exist in several different forms. Application of large-deviation theory allows us to prepare such phases in computer…

Statistical Mechanics · Physics 2015-06-16 David T Limmer , David Chandler

Crystal nucleation and growth processes induced by an externally applied shear strain in a model metallic glass are studied by means of nonequilibrium molecular dynamics simulations, in a range of temperatures. We observe that the…

Materials Science · Physics 2010-09-30 Anatolii Mokshin , J. -L. Barrat

Despite the ubiquity of ice, a molecular-resolution image of ice crystallized from liquid water or the resulting defect structure has never been obtained. Here, we report the stabilization and angstrom-resolution electron imaging of ice Ih…

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

By critically examining the traditional theory of homogeneous nucleation of precipitates in solid solutions, it is revealed that the theory's assertion regarding an increase in the nucleation free energy due to elastic strain associated…

Materials Science · Physics 2024-05-01 M. S. Veshchunov

To predict the radiative forcing of clouds it is necessary to know the rate with which ice homogeneously nucleates in supercooled water. Such rate is often measured in drops to avoid the presence of impurities. At large supercooling small…

Soft Condensed Matter · Physics 2020-03-06 Jorge R. Espinosa , Carlos Vega , Eduardo Sanz

A kinetic theory of homogeneous crystal nucleation in unary droplets is presented taking into account that a crystal nucleus can form not only in the volume-based mode (with all its facets within the droplet) but also in the…

Materials Science · Physics 2016-09-28 Yuri S. Djikaev

In this study, molecular dynamic simulations are employed to investigate the nucleation of NaCl crystal in solutions. According to the simulations, the dissolved behaviors of NaCl in water are dependent on ion concentrations. With…

Chemical Physics · Physics 2018-11-29 Qiang Sun

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

Convective flows coupled with solidification or melting in water bodies play a major role in shaping geophysical landscapes. Particularly in relation to the global climate warming scenario, it is essential to be able to accurately quantify…

Fluid Dynamics · Physics 2021-03-11 Ziqi Wang , Enrico Calzavarini , Chao Sun , Federico Toschi

The proneness of water to crystallize is a major obstacle to understanding its putative exotic behavior in the supercooled state. It also represents a strong practical limitation to cryopreservation of biological systems. Adding some…

Nucleation is an out-of-equilibrium process, which can be strongly affected by the presence of external fields. In this letter, we report a simple extension of classical nucleation theory to systems submitted to an homogeneous shear flow.…

Statistical Mechanics · Physics 2013-06-17 Anatolii V. Mokshin , Bulat N. Galimzyanov , Jean-Louis Barrat

In contrast to the abundance of work on the anomalous behavior of water, the relationship between the water's thermodynamic anomalies and kinetics of phase transition from metastable water is relatively unexplored. In this work, we have…

Soft Condensed Matter · Physics 2022-12-15 Yuvraj Singh , Mantu Santra , Rakesh S. Singh

The classical theory of grain nucleation suffers from both theoretical and predictive deficiencies. We strive to alleviate these deficiencies in our understanding of dust formation and growth by utilizing an atomistic model of nucleation.…

Solar and Stellar Astrophysics · Physics 2016-11-04 Christopher Mauney , Davide Lazzati