Scaling law for crystal nucleation time in glasses

Мокшин, А. В.; Galimzyanov, Bulat N.

doi:10.1063/1.4914172

Cited by 19 publications

(50 citation statements)

References 72 publications

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“…Here the quantity n α (t) indicates that the nucleus of the size n appears at the time t during the αth simulation run, where α = 1, 2, ..., 100. These trajectories extracted from the different simulation runs are treated within the mean-first-passage-time method [36,49]. According to this method, the curve τ (n) is defined, which is known as the mean-first-passagetime curve and which characterizes the average time of the first appearance of the largest nucleus with given size n (for details, see Refs.…”

Section: Simulation Details and Cluster Analysismentioning

confidence: 99%

“…According to this method, the curve τ (n) is defined, which is known as the mean-first-passagetime curve and which characterizes the average time of the first appearance of the largest nucleus with given size n (for details, see Refs. [36,49]). The critical size n c and the average nucleation (or waiting) time for the nucleus τ c , are defined from the analysis of the curve τ (n) and of the first derivative ∂τ (n)/∂n, according to the scheme suggested in Ref.…”

Section: Simulation Details and Cluster Analysismentioning

confidence: 99%

“…In spite of large number of studies mentioned above, there are still a lot of unclear points related with influence of a steady homogeneous shear on the morphology of crystalline structures emerging in amorphous solids [15,18,35,36]. For example, the physical mechanisms determining the crystalline nuclei asphericity at the initial stage of crystallization, when the size of these nuclei is comparable with a critical size, are debated [7,15,16,26].…”

Section: Introductionmentioning

confidence: 99%

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Morphology of critically sized crystalline nuclei at shear-induced crystal nucleation in amorphous solid

Galimzyanov

Мокшин

2018

Journal of Rheology

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In this work we study morphological characteristics of the critically-sized crystalline nuclei at initial stage of the shear-induced crystallization of a model single-component amorphous (glassy) system. These characteristics are estimated quantitatively through statistical treatment of the nonequilibrium molecular dynamics simulation results for the system under steady shear at various (fixed) values of the shear rateγ and at different temperatures. It is found that the sheared glassy system is crystallized through nucleation mechanism. From analysis of a time-dependent trajectories of the largest crystalline nuclei, the critical size nc and the nucleation time τc were defined. It is shown that the critically-sized nuclei in the system are oriented within the shear-gradient xy-plane at moderate and high shear rates; and a tilt angle of the oriented nuclei depends on the shear rate. At extremely high shear rates and at shear deformation of the system more than 60%, the tilt angle of the nuclei tends to take the value 45 • respective to the shear direction. We found that this feature depends weakly on the temperature. Asphericity of the nucleus shape increases with increasing shear rate, that is verified by increasing value of the asphericity parameter and by the contour of the pair distribution function calculated for the particles of the critically-sized nuclei. The critical size increases with increasing shear rate according to the power-law, nc ∝ (γτc) 1/3 , whereas the shape of the critically-sized nucleus changes from spherical to the elongated ellipsoidal. We found that the nc-dependencies of the nuclei deformation parameter evaluated for the system at different temperatures and shear rates are collapsed into unified master-curve. arXiv:1711.04989v1 [cond-mat.mtrl-sci]

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Section: Simulation Details and Cluster Analysismentioning

confidence: 99%

Section: Simulation Details and Cluster Analysismentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Morphology of critically sized crystalline nuclei at shear-induced crystal nucleation in amorphous solid

Galimzyanov

Мокшин

2018

Journal of Rheology

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“…nucleus that are obtained for independent simulated samples. Details of the algorithm can be found in [23][24][25]. Regions containing ordered structures in systems at various supercooling levels at different times from the time of preparation were identified by the structural analysis.…”

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confidence: 99%

Change in the Crystallization Features of Supercooled Liquid Metal with an Increase in the Supercooling Level

2018

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The process of homogeneous crystal nucleation has been considered in a model liquid, where the interparticle interaction is described by a short-range spherical oscillatory potential. Mechanisms of initiating structural ordering in the liquid at various supercooling levels, including those corresponding to an amorphous state, have been determined. The sizes and shapes of formed crystal grains have been estimated statistically. The results indicate that the mechanisms of nucleation occurs throughout the entire considered temperature range. The crystallization of the system at low supercooling levels occurs through a mononuclear scenario. A high concentration of crystal nuclei formed at high supercooling levels (i.e., at temperatures comparable to and below the glass transition temperature T g ) creates the semblance of the presence of branched structures, which is sometimes erroneously interpreted as a signature of phase separation. The temperature dependence of the maximum concentration of crystal grains demonstrates two regimes the transition between which occurs at a temperature comparable to the glass transition temperature T g .In terms of thermodynamics, a supercooled liquid is in a state of unstable equilibrium, which results in the appearance of domains of a crystal phase in it [1][2][3][4][5][6]. At the same time, the character of the process of structural ordering should significantly depend on the conditions under which the supercooled state was formed, in particular, on the cooling rate of the liquid and on its final supercooling level ∆T /T m = 1 − T /T m , where T m is the melting temperature of the system [2,7,8]. At low and moderate supercooling levels covering the temperature range T g < T < T m , crystallization is usually initiated through the scenario of crystal nucleation, which is described within classical nucleation theory [1,2,8]. At temperatures below the glass transition temperature T g , which correspond to high supercooling * Electronic address: bulatgnmail@gmail.com arXiv:1812.06279v1 [cond-mat.mtrl-sci] 15 Dec 2018 of the system T g 0.78 /k B . This surprising nontrivial result requires a more detailed analysis and test in application systems with another characteristic interparticle interaction (polymers, colloidal systems, etc).We are grateful to Prof. S.V. Demishev and V.V. Glushkov (Prokhorov Genereal Physics Institute, Russian Academy of Sciences, Moscow) for stimulating discussions and recommendations.

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“…The lag time, τ, is compositionally-and temperature-dependent. Equation (13) calculates τ per the method of Mokshin and Galimzyanov, 38) where τ g is the lag time at the glass transition temperature,  T g is the normalized glass transition temperature,  T is the normalized temperature of interest, and ε is a dimensionless factor that accounts for the ability of a material to maintain structural disorder. The dependence of mineralogy and GSD on T U is complex.…”

Section: Solidificationmentioning

confidence: 99%

Effect of Solidification and Cooling Methods on the Efficacy of Slag as a Feedstock for CO<sub>2</sub> Mineralization

Myers

Nakagaki

2018

ISIJ Int.

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Iron and steel making (ISM) slag is often utilized to partially offset CO 2 emissions associated with metal production. Currently, the primary recycling method for slag is as β-Ca 2 SiO 4 utilized in the cement industry, termed ground granulated blast furnace slag (ggbs). However, the cement market is not large enough to exploit the entirety of ISM slag as ggbs, relegating a large quantity of slag to reuse pathways with minor impacts on CO 2 reduction. Recent years have seen an increase in research into mineralizing CO 2 using the Ca and Mg content of ISM slags as a feedstock. Unfortunately, it has not been widely recognized that the solidification and cooling processes of slag dramatically effects its efficacy as a CO 2 mineralizing feedstock via modification of mineralogy, crystallinity, grain size, and micromorphology. This paper clarifies the key properties determining mineralization effectiveness and elucidates how to control these properties during the solidification and cooling process. The effect of solidification and cooling method on net CO 2 reduction is shown to be strongly dependent on solidification and cooling method along with the CO 2 intensity of energy generation.

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Scaling law for crystal nucleation time in glasses

Cited by 19 publications

References 72 publications

Morphology of critically sized crystalline nuclei at shear-induced crystal nucleation in amorphous solid

Morphology of critically sized crystalline nuclei at shear-induced crystal nucleation in amorphous solid

Change in the Crystallization Features of Supercooled Liquid Metal with an Increase in the Supercooling Level

Effect of Solidification and Cooling Methods on the Efficacy of Slag as a Feedstock for CO<sub>2</sub> Mineralization

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