Role of dynamic heterogeneities in crystal nucleation kinetics in an oxide supercooled liquid

2016 ◽  
Vol 145 (21) ◽  
pp. 211920 ◽  
Author(s):  
Prabhat K. Gupta ◽  
Daniel R. Cassar ◽  
Edgar D. Zanotto
Keyword(s):  
Supercooled Liquid ◽  
Crystal Nucleation ◽  
Nucleation Kinetics

Nucleation and Glass Formation

1985 ◽  
Vol 57 ◽  
Author(s):  
D. R. Uhlmann ◽  
M. C. Weinberg
Keyword(s):  
Glass Formation ◽  
Nucleation Theory ◽  
Crystal Nucleation ◽  
Oxide Glass ◽  
Classical Nucleation Theory ◽  
Nucleation Kinetics ◽  
Formation Behavior ◽  
Homogeneous Crystal ◽  
Exponential Factors

AbstractThe role of nucleation kinetics in affecting glass formation behavior is discussed. Also considered are measurements of homogeneous crystal nucleation in a variety of liquids. For a number of oxide glass-forming liquids, available data indicate pre-exponential factors which are larger than those predicted from classical nucleation theory by factors of 1017 to 1049. Possible sources of this discrepancy are discussed.

scholarly journals Analytical solutions of mushy layer equations describing directional solidification in the presence of nucleation

2018 ◽  
Vol 376 (2113) ◽  
pp. 20170217 ◽  
Author(s):  
Dmitri V. Alexandrov ◽  
Alexander A. Ivanov ◽  
Irina V. Alexandrova
Keyword(s):  
Phase Transition ◽  
Supercooled Liquid ◽  
Crystal Nucleation ◽  
Supersaturated Solution ◽  
Pure Liquid ◽  
Particle Nucleation ◽  
Nucleation Kinetics ◽  
Differential Model ◽  
Phase Transition Interface ◽  
Phase Transition Boundary

The processes of particle nucleation and their evolution in a moving metastable layer of phase transition (supercooled liquid or supersaturated solution) are studied analytically. The transient integro-differential model for the density distribution function and metastability level is solved for the kinetic and diffusionally controlled regimes of crystal growth. The Weber–Volmer–Frenkel–Zel’dovich and Meirs mechanisms for nucleation kinetics are used. We demonstrate that the phase transition boundary lying between the mushy and pure liquid layers evolves with time according to the following power dynamic law: , where Z 1 ( t )= βt 7/2 and Z 1 ( t )= βt 2 in cases of kinetic and diffusionally controlled scenarios. The growth rate parameters α , β and ε are determined analytically. We show that the phase transition interface in the presence of crystal nucleation and evolution propagates slower than in the absence of their nucleation. This article is part of the theme issue ‘From atomistic interfaces to dendritic patterns’.

Surface Induced Calcium Phosphate Nucleation and Growth

1995 ◽  
Vol 414 ◽  
Author(s):  
L. Song ◽  
A. A. Campbell ◽  
X. S. Li ◽  
B. C. Bunker
Keyword(s):  
Calcium Phosphate ◽  
Phase Formation ◽  
Octacalcium Phosphate ◽  
Crystal Nucleation ◽  
X Ray Diffraction ◽  
Nucleation Kinetics ◽  
Constant Composition ◽  
Phosphate Dihydrate ◽  
Induction Times

AbstractCalcium phosphate nucleation on colloidal oxide surfaces, such as TiO2, SiO2 and Al2MO3, has been studied as a model system to understand the role of surface chemistry on crystal nucleation kinetics and phase formation. The nucleation induction times have been measured using Constant Composition (CC) technique and calcium phosphate phases formation have been determined mainly by X-ray diffraction. The results indicated TiO2 not only significantly reduces the nucleation induction time and interfacial energy but also stimulates octacalcium phosphate formation over dicalcium phosphate dihydrate. SiO2 and Al2O3 have little effect on both nucleation kinetics and phase formation.

scholarly journals Unveiling the self-association and desolvation in crystal nucleation

IUCrJ ◽  
2021 ◽  
Vol 8 (3) ◽  
pp. 468-479
Author(s):  
Danning Li ◽  
Yongli Wang ◽  
Shuyi Zong ◽  
Na Wang ◽  
Xin Li ◽  
...  
Keyword(s):  
Density Functional ◽  
Interaction Strength ◽  
Solution Chemistry ◽  
The Self ◽  
Crystal Nucleation ◽  
Nucleation Kinetics ◽  
Molecular Conformations ◽  
Self Association ◽  
Induction Times ◽  
The Relationship

As the first step in the crystallization process, nucleation has been studied by many researchers. In this work, phenacetin (PHEN) was selected as a model compound to investigate the relationship between the solvent and nucleation kinetics. Induction times at different supersaturation in six solvents were measured. FTIR and NMR spectroscopy were employed to explore the solvent–solute interactions and the self-association properties in solution. Density functional theory (DFT) was adopted to evaluate the strength of solute–solvent interactions and the molecular conformations in different solvents. Based on these spectroscopy data, molecular simulation and nucleation kinetic results, a comprehensive understanding of the relationship between molecular structure, crystal structure, solution chemistry and nucleation dynamics is discussed. Both the solute–solvent interaction strength and the supramolecular structure formed by the self-association of solute molecules affect the nucleation rate. The findings reported here shed new light on the molecular mechanism of nucleation in solution.

Desalination using gas hydrates: The role of crystal nucleation, growth and separation

Desalination ◽  
2019 ◽  
Vol 468 ◽  
pp. 114049 ◽  
Author(s):  
Muhammad Naveed Khan ◽  
Cor J. Peters ◽  
Carolyn A. Koh
Keyword(s):  
Gas Hydrates ◽  
Crystal Nucleation ◽  
Nucleation Growth

scholarly journals A complete analytical solution of the Fokker–Planck and balance equations for nucleation and growth of crystals

2018 ◽  
Vol 376 (2113) ◽  
pp. 20170327 ◽  
Author(s):  
Eugenya V. Makoveeva ◽  
Dmitri V. Alexandrov
Keyword(s):  
Distribution Function ◽  
Analytical Description ◽  
Supercooled Liquid ◽  
Intermediate Stage ◽  
Nucleation And Growth ◽  
Time Dependent ◽  
Supersaturated Solution ◽  
Nucleation Kinetics ◽  
Type Integral ◽  
Laplace Type

This article is concerned with a new analytical description of nucleation and growth of crystals in a metastable mushy layer (supercooled liquid or supersaturated solution) at the intermediate stage of phase transition. The model under consideration consisting of the non-stationary integro-differential system of governing equations for the distribution function and metastability level is analytically solved by means of the saddle-point technique for the Laplace-type integral in the case of arbitrary nucleation kinetics and time-dependent heat or mass sources in the balance equation. We demonstrate that the time-dependent distribution function approaches the stationary profile in course of time. This article is part of the theme issue ‘From atomistic interfaces to dendritic patterns’.

scholarly journals Ice is born in low-mobility regions of supercooled liquid water

2019 ◽  
Vol 116 (6) ◽  
pp. 2009-2014 ◽  
Author(s):  
Martin Fitzner ◽  
Gabriele C. Sosso ◽  
Stephen J. Cox ◽  
Angelos Michaelides
Keyword(s):  
Liquid Water ◽  
Dynamical Behavior ◽  
Supercooled Liquid ◽  
Ice Nucleation ◽  
Water Molecules ◽  
Ice Crystal ◽  
Surrounding Water ◽  
Dynamical Heterogeneity ◽  
Complex Dynamical Behavior

When an ice crystal is born from liquid water, two key changes occur: (i) The molecules order and (ii) the mobility of the molecules drops as they adopt their lattice positions. Most research on ice nucleation (and crystallization in general) has focused on understanding the former with less attention paid to the latter. However, supercooled water exhibits fascinating and complex dynamical behavior, most notably dynamical heterogeneity (DH), a phenomenon where spatially separated domains of relatively mobile and immobile particles coexist. Strikingly, the microscopic connection between the DH of water and the nucleation of ice has yet to be unraveled directly at the molecular level. Here we tackle this issue via computer simulations which reveal that (i) ice nucleation occurs in low-mobility regions of the liquid, (ii) there is a dynamical incubation period in which the mobility of the molecules drops before any ice-like ordering, and (iii) ice-like clusters cause arrested dynamics in surrounding water molecules. With this we establish a clear connection between dynamics and nucleation. We anticipate that our findings will pave the way for the examination of the role of dynamical heterogeneities in heterogeneous and solution-based nucleation.

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