Nucleation theory models for describing kinetics of cluster growth in C60/NMP solutions

2010 ◽  
Vol 247 (11-12) ◽  
pp. 3022-3025 ◽  
Author(s):  
T. V. Tropin ◽  
M. V. Avdeev ◽  
O. A. Kyzyma ◽  
V. L. Aksenov
Keyword(s):  
Nucleation Theory ◽  
Cluster Growth ◽  
Kinetics Of

scholarly journals Kinetics of cluster growth in polar solutions of fullerene: Experimental and theoretical study of C60/NMP solution

2012 ◽  
Vol 175 ◽  
pp. 4-11 ◽  
Author(s):  
T.V. Tropin ◽  
N. Jargalan ◽  
M.V. Avdeev ◽  
O.A. Kyzyma ◽  
R.A. Eremin ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Cluster Growth ◽  
Kinetics Of ◽  
Polar Solutions

The Effects of Si on the Nucleation Kinetics of Ferrite in Dual Phase Steels

2007 ◽  
Vol 26-28 ◽  
pp. 1307-1310 ◽  
Author(s):  
Sang Hwan Lee ◽  
Kyung Jong Lee
Keyword(s):  
Free Energy ◽  
Interfacial Energy ◽  
Free Energy Change ◽  
Nucleation Theory ◽  
Energy Change ◽  
Classical Nucleation Theory ◽  
Nucleation Kinetics ◽  
Kinetics Of ◽  
Volume Free Energy Change ◽  
Thermodynamic Factors

It is generally accepted that Si promotes kinetics of polygonal ferrite due to thermodynamic factors such as Ae3 and maximum amount of ferrite formed. However, in this study, it was found that the difference between the measured rates of ferrite formation in C-Mn steel and Si added steel was much larger than that expected considering only thermodynamic factors. The classical nucleation theory with pillbox model was adopted to figure out what is the most controlling factor in formation of ferrite. The volume free energy change was calculated by use of the dilute solution model. The diffusivity of carbon (DC) was formulated as functions of C, Mn and Si by using experimental data. It was found that the volume free energy change was still predominant but the kinetic factors such as interfacial energy and the diffusivity of carbon by addition of Si were not negligible at lower undercooling. However, with increasing undercooling, the diffusivity of C was the most effective on the ferrite kinetics, though the ambiguity of treating interfacial energy was not yet clear.

Diffusion of Silver in Silicate Glass and Clustering in Hydrogen Atmosphere

2005 ◽  
Vol 237-240 ◽  
pp. 689-694 ◽  
Author(s):  
Yuri S. Kaganovsky ◽  
E. Mogilko ◽  
A. Ofir ◽  
A.A. Lipovskii ◽  
M. Rosenbluh
Keyword(s):  
Absorption Spectra ◽  
Silicate Glass ◽  
Hydrogen Diffusion ◽  
Hydrogen Atmosphere ◽  
Silver Nanoclusters ◽  
Growth Surface ◽  
Metallic State ◽  
Cluster Growth ◽  
Optical Spectrometry ◽  
Kinetics Of

Annealing in a hydrogen atmosphere of silicate glass plates doped by Ag+ ions leads to the reduction of silver to a metallic state (Ag0) and to the formation of silver nanoclusters. The kinetics of clustering during hydrogen diffusion into the glass and diffusion of Ag0 atoms in the glass matrix have been studied in a temperature ranging from 160 to 200oC by SEM, AFM and optical spectrometry. The absorption spectra have a peak near 410 nm corresponding to the surface plasmon resonance in Ag clusters. The position of the peak moves as the clusters grow. A theoretical analysis of the absorption spectra allowed us to estimate the cluster size as a function of time, as well as the thickness of the layer filled by clusters, which also changes with time. From AFM data we could measure the kinetics of cluster growth on the surface. We have theoretically analyzed the kinetics of cluster growth during reactive hydrogen diffusion, the kinetics of bulk cluster growth, surface cluster growth, and thickening of the layer filled by clusters.

Solidification Modeling of Bulk Amorphous Alloys

2003 ◽  
Vol 806 ◽  
Author(s):  
Sang Bok Lee ◽  
Nack J. Kim
Keyword(s):  
Heterogeneous Nucleation ◽  
Amorphous Alloys ◽  
Nucleation Theory ◽  
Cooling Rates ◽  
Continuous Cooling ◽  
Wide Range ◽  
Temperature Transformation ◽  
Transformation Diagrams ◽  
Experimental Values ◽  
Kinetics Of

ABSTRACTClassical heterogeneous nucleation theory coupled with DTA data has been used to closely estimate the crystallization behavior of continuously cooled bulk metallic glass (BMG) alloys. Continuous cooling transformation and time temperature transformation diagrams of three BMG alloys, Zr41.2Ti13.8Cu12.5Ni10Be22.5, Cu47Ti33Zr11Ni6Si1Sn2 and Mg65Cu25Y10 alloys, have been calculated. The critical cooling rates Rc of three alloys were calculated to be 1.7 K/s, 242 K/s and 36 K/s for Zr41.2Ti13.8Cu12.5Ni10Be22.5, Cu47Ti33Zr11Ni6Si1Sn2 and of Mg65Cu25Y10 alloys, respectively, which match well with the experimental values. We conclude that heterogeneous nucleation is more favorable than homogeneous nucleation for the formation of crystals during cooling of BMG alloy liquids. Our approach can be applied to the analyses of crystallization kinetics of BMG alloys with a wide range of critical cooling rates during continuous cooling as well as isothermal annealing.

Kinetics of polymer collapse: effect of temperature on cluster growth and aging

Soft Matter ◽  
2017 ◽  
Vol 13 (6) ◽  
pp. 1276-1290 ◽  
Author(s):  
Suman Majumder ◽  
Johannes Zierenberg ◽  
Wolfhard Janke
Keyword(s):  
Effect Of Temperature ◽  
Cluster Growth ◽  
Polymer Collapse ◽  
Growth And Aging ◽  
Kinetics Of ◽  
Collapse Effect

A study to investigate phase transitions and nucleation kinetics of nickel and copper

2016 ◽  
Vol 30 (11) ◽  
pp. 1650129 ◽  
Author(s):  
F. A. Celik ◽  
A. K. Yildiz
Keyword(s):  
Molecular Dynamics ◽  
Orientational Order ◽  
Nucleation Theory ◽  
Dynamics Simulation ◽  
Classical Nucleation Theory ◽  
Structural Development ◽  
Nucleation Kinetics ◽  
Embedded Atom ◽  
Bond Orientational Order ◽  
Kinetics Of

In this study, we investigate the homogeneous nucleation kinetics of copper and nickel system during cooling process using molecular dynamics simulation (MDS). The calculation is carried out for a different number of atoms consisting of 500, 2048, 8788 and 13,500 based on embedded atom method (EAM). It is observed that the melting points for the both model increases with increasing the size of systems (i.e. the number of atoms) as expected from Parrinello and Rahman MD method. The interfacial free energies and critical nucleus radius of nickel and copper are also determined by molecular dynamics, and the results are consistent with the classical nucleation theory. The structural development and phase transformation are also determined from the radial distribution function (RDF) and local bond orientational order parameters (LBOO).

Dissolution and Growth Kinetics of Small Crystals in Liquids

1991 ◽  
Vol 238 ◽  
Author(s):  
Michael J. Uttormark ◽  
Michael O. Thompson ◽  
Paulette Clancy
Keyword(s):  
Molecular Dynamics ◽  
Melting Point ◽  
Driving Force ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Equilibrium Melting Point ◽  
Small Crystals ◽  
Dynamics Simulations ◽  
Kinetics Of ◽  
Nucleation Phenomenon

ABSTRACTMolecular Dynamics simulations of the melting of small crystalline clusters (≃800 atoms) in the liquid have been performed at various temperatures above the equilibrium melting point. The melting rates as functions of size and temperature are derived and compared to that predicted by Classical Nucleation Theory. It is found that the driving force for the melting of clusters does not follow the form assumed in the theory, and that this difference is most apparent for clusters containing less than 300 atoms. The implications of these findings on nucleation phenomenon and possible sources for the discrepancies are discussed.

scholarly journals Нуклеация и рост зародышей новой фазы в гетерогенных реакциях

2019 ◽  
Vol 61 (12) ◽  
pp. 2412
Author(s):  
Н.М. Корценштейн
Keyword(s):  
Complex Systems ◽  
Condensed Phase ◽  
Growth Rates ◽  
Heterogeneous Reaction ◽  
Nucleation And Growth ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Definite Kind ◽  
Kinetics Of ◽  
Development Mechanism

Abstract Expressions for the nucleation and growth rates for condensed particles in a heterogeneous reaction of a definite kind have been derived, which allows the kinetics of the formation of the condensed phase in some complex systems to be described. Methods of the classical nucleation theory and an assumption about the reaction development mechanism were used.

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