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Academic literature on the topic 'Kinetic Nucleation Theory'

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Published: 10 December 2022
Last updated: 29 January 2023

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Journal articles on the topic "Kinetic Nucleation Theory"

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Kalikmanov, V. I. "Mean-field kinetic nucleation theory." Journal of Chemical Physics 124, no. 12 (March 28, 2006): 124505. http://dx.doi.org/10.1063/1.2178812.

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Philippe, T., M. Bonvalet, and D. Blavette. "Kinetic theory of diffusion-limited nucleation." Journal of Chemical Physics 144, no. 20 (May 28, 2016): 204501. http://dx.doi.org/10.1063/1.4950878.

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LIU, X. Y. "NEW UNDERSTANDINGS FOR TWO-DIMENSIONAL NUCLEATION (II)." Surface Review and Letters 08, no. 05 (October 2001): 423–28. http://dx.doi.org/10.1142/s0218625x01001178.

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Foreign particles adsorbed on flat crystal surfaces can serve as two-dimensional nucleation centers for the growth. In this paper, a kinetic model for heterogeneous two-dimensional nucleation is presented. The free energy barrier of two-dimensional nucleation in the presence of foreign particles and the kinetics for the nucleation and growth are examined theoretically. It follows that the contact angle, size and density of adsorbed foreign particles play a crucial role in controlling the 2D nucleation barrier and growth kinetics. The theory can be successfully applied to interpret experiments of dislocation-free growth.
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Ruckenstein, E., and B. Nowakowski. "A kinetic theory of nucleation in liquids." Journal of Colloid and Interface Science 137, no. 2 (July 1990): 583–92. http://dx.doi.org/10.1016/0021-9797(90)90432-n.

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Kalikmanov, V. I., and M. E. H. van Dongen. "Semi-Phenomenological Kinetic Theory of Binary Nucleation." Europhysics Letters (EPL) 29, no. 2 (January 10, 1995): 129–34. http://dx.doi.org/10.1209/0295-5075/29/2/004.

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Shen, Vincent K., and Pablo G. Debenedetti. "A kinetic theory of homogeneous bubble nucleation." Journal of Chemical Physics 118, no. 2 (January 8, 2003): 768–83. http://dx.doi.org/10.1063/1.1526836.

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Yang, C. H., and H. Qiu. "Theory of homogeneous nucleation: A chemical kinetic view." Journal of Chemical Physics 84, no. 1 (January 1986): 416–23. http://dx.doi.org/10.1063/1.450154.

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Ruckenstein, E., and Y. S. Djikaev. "Recent developments in the kinetic theory of nucleation." Advances in Colloid and Interface Science 118, no. 1-3 (December 2005): 51–72. http://dx.doi.org/10.1016/j.cis.2005.06.001.

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Sabelfeld, Karl K., and Georgy Eremeev. "A hybrid kinetic-thermodynamic Monte Carlo model for simulation of homogeneous burst nucleation." Monte Carlo Methods and Applications 24, no. 3 (September 1, 2018): 193–202. http://dx.doi.org/10.1515/mcma-2018-0017.

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Abstract We develop in this paper a hybrid kinetic Monte Carlo and continuous thermodynamically based model for the simulation of homogeneous nucleation under burst regime when a long incubation time is followed by rapid nucleation of stable nuclei. In this model we assume that the kinetics of particle nucleation and disaggregation is governed by a Smoluchowski equation while the size of a stable nuclei is taken from the thermodynamic theory of nucleation with varying supersaturation under metastable conditions. We show that the Smoluchowski equations without the metastable conditions cannot describe the regime of burst nucleation showing the following general feature: the longer the incubation time, the slower the nucleation rate even if a multiple disaggregation is assumed. In contrast, a combined hybrid Monte Carlo and metastable thermodynamic model suggested is able to predict a long incubation time followed by rapid nucleation regime. A series of numerical simulations presented supports this conclusion.
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Kukushkin, S. A., and A. V. Osipov. "Theory of Phase Transformations in the Mechanics of Solids and its Applications for Description of Fracture, Formation of Nanostructures and Thin Semiconductor Films Growth." Key Engineering Materials 528 (November 2012): 145–64. http://dx.doi.org/10.4028/www.scientific.net/kem.528.145.

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The brief review of the current state of the theory of first-order phase transitions is given. The basic processes of nucleation and evolution of nanostructure ensembles on crystal surfaces are considered. The general equations describing nanoparticle size distribution, evolution of their average radius and density are deduced. The influence of mechanical pressure on nucleation and property of quantum dots and nanopores is considered. The equations describing new phase nucleation under condition of mechanical pressure caused by distinction in density of an old and new phase are resulted. The kinetic theory of micropore nucleation in solids under loading is described. The kinetic criterion is received of nucleation of micropores and microcracks in fragile solids under the influence of stretching pressure.
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Dissertations / Theses on the topic "Kinetic Nucleation Theory"

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Shi, Feng. "Nucleation and growth in materials and on surfaces : kinetic Monte Carlo simulations and rate equation theory /." Connect to full text in OhioLINK ETD Center, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1216839589.

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Shi, Feng. "Nucleation and Growth in Materials and on Surfaces:Kinetic Monte Carlo Simulation and Rate Equation Theory." University of Toledo / OhioLINK, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1216839589.

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Sabbar, Ehsan H. "Defect and Island Nucleation in Materials: Kinetic Monte Carlo, Rate Equation Theory and Temperature Accelerated Dynamics (TAD) Simulations." University of Toledo / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1544443201322287.

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Svärd, Michael. "Structural, Kinetic and Thermodynamic Aspects of the Crystal Polymorphism of Substituted Monocyclic Aromatic Compounds." Doctoral thesis, KTH, Teknisk strömningslära, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-33836.

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This work concerns the interrelationship between thermodynamic, kinetic and structural aspects of crystal polymorphism. It is both experimental and theoretical, and limited with respect to compounds to substituted monocyclic aromatics. Two polymorphs of the compound m-aminobenzoic acid have been experimentally isolated and characterized by ATR-FTIR spectroscopy, X-ray powder diffraction and optical microscopy. In addition, two polymorphs of the compound m-hydroxybenzoic acid have been isolated and characterized by ATR-FTIR spectroscopy, high-temperature XRPD, confocal Raman, hot-stage and scanning electron microscopy. For all polymorphs, melting properties and specific heat capacity have been determined calorimetrically, and the solubility in several pure solvents measured at different temperatures with a gravimetric method. The solid-state activity (ideal solubility), and the free energy, enthalpy and entropy of fusion have been determined as functions of temperature for all solid phases through a thermodynamic analysis of multiple experimental data. It is shown that m-aminobenzoic acid is an enantiotropic system, with a stability transition point determined to be located at approximately 156°C, and that the difference in free energy at room temperature between the polymorphs is considerable. It is further shown that m-hydroxybenzoic acid is a monotropic system, with minor differences in free energy, enthalpy and entropy. 1393 primary nucleation experiments have been carried out for both compounds in different series of repeatability experiments, differing with respect to solvent, cooling rate, saturation temperature and solution preparation and pre-treatment. It is found that in the vast majority of experiments, either the stable or the metastable polymorph is obtained in the pure form, and only for a few evaluated experimental conditions does one polymorph crystallize in all experiments. The fact that the polymorphic outcome of a crystallization is the result of the interplay between relative thermodynamic stability and nucleation kinetics, and that it is vital to perform multiple experiments under identical conditions when studying nucleation of polymorphic compounds, is strongly emphasized by the results of this work. The main experimental variable which in this work has been found to affect which polymorph will preferentially crystallize is the solvent. For m-aminobenzoic acid, it is shown how a significantly metastable polymorph can be obtained by choosing a solvent in which nucleation of the stable form is sufficiently obstructed. For m-hydroxybenzoic acid, nucleation of the stable polymorph is promoted in solvents where the solubility is high. It is shown how this partly can be rationalized by analysing solubility data with respect to temperature dependence. By crystallizing solutions differing only with respect to pre-treatment and which polymorph was dissolved, it is found that the immediate thermal and structural history of a solution can have a significant effect on nucleation, affecting the predisposition for overall nucleation as well as which polymorph will preferentially crystallize. A set of polymorphic crystal structures has been compiled from the Cambridge Structural Database. It is found that statistically, about 50% crystallize in the crystallographic space group P21/c. Furthermore, it is found that crystal structures of polymorphs tend to differ significantly with respect to either hydrogen bond network or molecular conformation. Molecular mechanics based Monte Carlo simulated annealing has been used to sample different potential crystal structures corresponding to minima in potential energy with respect to structural degrees of freedom, restricted to one space group, for each of the polymorphic compounds. It is found that all simulations result in very large numbers of predicted structures. About 15% of the predicted structures have excess relative lattice energies of <=10% compared to the most stable predicted structure; a limit verified to reflect maximum lattice energy differences between experimentally observed polymorphs of similar compounds. The number of predicted structures is found to correlate to molecular weight and to the number of rotatable covalent bonds. A close study of two compounds has shown that predicted structures tend to belong to different groups defined by unique hydrogen bond networks, located in well-defined regions in energy/packing space according to the close-packing principle. It is hypothesized that kinetic effects in combination with this structural segregation might affect the number of potential structures that can be realized experimentally. The experimentally determined crystal structures of several compounds have been geometry-optimized (relaxed) to the nearest potential energy minimum using ten different combinations of common potential energy functions (force fields) and techniques for assigning nucleus-centred point charges used in the electrostatic description of the energy. Changes in structural coordinates upon relaxation have been quantified, crystal lattice energies calculated and compared with experimentally determined enthalpies of sublimation, and the energy difference before and after relaxation computed and analysed. It is found that certain combinations of force fields and charge assignment techniques work reasonably well for modelling crystal structures of small aromatics, provided that proper attention is paid to electrostatic description and to how the force field was parameterized. A comparison of energy differences for randomly packed as well as experimentally determined crystal structures before and after relaxation suggests that the potential energy function for the solid state of a small organic molecule is highly undulating with many deep, narrow and steep minima.
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Pettinger, Alfred Miquel. "A regularized couple stress theory and its implications on nucleation and kinetics of phase transformations in anti-plane shear." Thesis, Massachusetts Institute of Technology, 1998. http://hdl.handle.net/1721.1/9974.

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Reinhardt, Aleks. "Computer simulation of the homogeneous nucleation of ice." Thesis, University of Oxford, 2013. http://ora.ox.ac.uk/objects/uuid:9ec0828b-df99-42e1-8694-14786d7578b9.

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In this work, we wish to determine the free energy landscape and the nucleation rate associated with the process of homogeneous ice nucleation. To do this, we simulate the homogeneous nucleation of ice with the mW monatomic model of water and with all-atom models of water using primarily the umbrella sampling rare event method. We find that the use of the mW model of water, which has simpler dynamics compared to all-atom models of water, but is nevertheless surprisingly good at reproducing experimental data, results in very reasonable agreement with classical nucleation theory, in contrast to some previous simulations of homogeneous ice nucleation. We suggest that previous simulations did not observe the lowest free energy pathway in order parameter space because of their use of global order parameters, leading to a deviation from classical nucleation theory predictions. Whilst monatomic water can nucleate reasonably quickly, all-atom models of water are considerably more difficult to simulate, primarily because of their slow dynamics of ice growth and the fact that standard order parameters do not work well in driving nucleation when such models are being used. In this thesis, we describe a local, rotationally invariant order parameter that is capable of growing ice homogeneously in a biassed simulation without the unnatural effects introduced by global order parameters, and without leading to non-physical chain-like growth of 'ice' clusters that results from a naïve implementation of the standard Steinhardt-Ten Wolde order parameter. We have successfully used this order parameter to force the growth of ice clusters in simulations of all-atom models of water. However, although ice growth can be achieved, equilibrating simulations with all-atom models of water is extremely difficult. We describe several approaches to speeding up the equilibration in all-atom models of water to enable the computation of free energy profiles for homogeneous ice nucleation.
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Books on the topic "Kinetic Nucleation Theory"

1

G, Kolesnichenko E., ed. Microscopic theory of condensation in gases and plasma. Singapore: World Scientific, 1997.

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Autumn School on "Theory of Homogeneous Nucleation in First-Order Phase Transitions" (1st 1986 Ticino, Switzerland). Thermodynamics and kinetics of first-order phase transitions: Selected lectures of the First Autumn School on "Theory of Homogeneous Nucleation in First-Order Phase Transitions," Tessin, 14.-17., 10. 1986. Rostock: Wilhelm-Pieck-Universität, Sektion Physik, 1987.

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3

Rosenberger, F. Convective flow effects on protein crystal growth: First semi-annual progress report, NASA grant NAG8-950, period of performance 2/1/93 through 7/31/93. Huntsville, Ala: Center for Microgravity and Materials Research, University of Alabama in Huntsville, 1993.

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Ruckenstein, Eli, and Gersh Berim. Kinetic Theory of Nucleation. Taylor & Francis Group, 2016.

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Ruckenstein, Eli, and Gersh Berim. Kinetic Theory of Nucleation. Taylor & Francis Group, 2016.

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Ruckenstein, Eli, and Gersh Berim. Kinetic Theory of Nucleation. CRC Press, 2016. http://dx.doi.org/10.1201/b21644.

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Kinetic Theory of Nucleation. Taylor & Francis Group, 2016.

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Ruckenstein, Eli, and Gersh Berim. Kinetic Theory of Nucleation. Taylor & Francis Group, 2016.

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Convective flow effects on protein crystal growth: Second semi-annual progress report, NASA grant NAG8-950, period of performance 8/1/93 through 1/31/94. Huntsville, Ala: Center for Microgravity and Materials Research, University of Alabama in Huntsville, 1994.

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A, Monaco Lisa, and United States. National Aeronautics and Space Administration., eds. Convective flow effects on protein crystal growth: First semi-annual progress report, NASA grant NAG8-950, period of performance 2/1/93 through 7/31/93. Huntsville, Ala: Center for Microgravity and Materials Research, University of Alabama in Huntsville, 1993.

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Book chapters on the topic "Kinetic Nucleation Theory"

1

Kalikmanov, V. I. "Mean-Field Kinetic Nucleation Theory." In Nucleation Theory, 79–112. Dordrecht: Springer Netherlands, 2012. http://dx.doi.org/10.1007/978-90-481-3643-8_7.

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Reguera, D., J. M. Rubí, and L. L. Bonilla. "Kinetic Theory of Nucleation In Polymers." In Mathematics in Industry, 119–63. Berlin, Heidelberg: Springer Berlin Heidelberg, 2003. http://dx.doi.org/10.1007/978-3-642-55771-2_4.

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Holten, Vincent, and M. E. H. van Dongen. "Kinetic Theory Applied to Nucleation and Droplet Growth." In Nucleation and Atmospheric Aerosols, 92–96. Dordrecht: Springer Netherlands, 2007. http://dx.doi.org/10.1007/978-1-4020-6475-3_18.

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Katz, Joseph L., and Marc D. Donohue. "A Kinetic Approach to Homogeneous Nucleation Theory." In Advances in Chemical Physics, 137–55. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470142592.ch3.

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Neu, J. C., and Luis L. Bonilla. "Classical Kinetic Theory of Nucleation and Coarsening." In Mathematics in Industry, 31–58. Berlin, Heidelberg: Springer Berlin Heidelberg, 2003. http://dx.doi.org/10.1007/978-3-642-55771-2_2.

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Kukushkin, Sergey A., and Andrey V. Osipov. "Nucleation and Growth Kinetics of Nanofilms." In Nucleation Theory and Applications, 215–55. Weinheim, FRG: Wiley-VCH Verlag GmbH & Co. KGaA, 2005. http://dx.doi.org/10.1002/3527604790.ch7.

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Baidakov, Vladimir G. "Boiling-Up Kinetics of Solutions of Cryogenic Liquids." In Nucleation Theory and Applications, 126–77. Weinheim, FRG: Wiley-VCH Verlag GmbH & Co. KGaA, 2005. http://dx.doi.org/10.1002/3527604790.ch5.

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Gamburg, Yuliy D., and Giovanni Zangari. "Thermodynamics and Kinetics of Nucleation." In Theory and Practice of Metal Electrodeposition, 97–122. New York, NY: Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4419-9669-5_5.

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Shur, Vladimir Ya. "Correlated Nucleation and Self-Organized Kinetics of Ferroelectric Domains." In Nucleation Theory and Applications, 178–214. Weinheim, FRG: Wiley-VCH Verlag GmbH & Co. KGaA, 2005. http://dx.doi.org/10.1002/3527604790.ch6.

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Fokin, Vladimir M., Nikolay S. Yuritsyn, and Edgar D. Zanotto. "Nucleation and Crystallization Kinetics in Silicate Glasses: Theory and Experiment." In Nucleation Theory and Applications, 74–125. Weinheim, FRG: Wiley-VCH Verlag GmbH & Co. KGaA, 2005. http://dx.doi.org/10.1002/3527604790.ch4.

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Conference papers on the topic "Kinetic Nucleation Theory"

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Itkin, Andrey L. "Molecular theory of homogeneous nucleation using a more sophisticated kinetic." In The 15th international conference on nucleation and atmospheric aerosols. AIP, 2000. http://dx.doi.org/10.1063/1.1361808.

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Itkin, Andrey L. "Kinetic theory of a carrier gas effect on nucleation in diffusion chambers." In The 15th international conference on nucleation and atmospheric aerosols. AIP, 2000. http://dx.doi.org/10.1063/1.1361873.

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Suh, Donguk, and Kenji Yasuoka. "Kinetic Analysis on Nanoparticle Condensation by Molecular Dynamics." In ASME 2012 10th International Conference on Nanochannels, Microchannels, and Minichannels collocated with the ASME 2012 Heat Transfer Summer Conference and the ASME 2012 Fluids Engineering Division Summer Meeting. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/icnmm2012-73140.

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Condensation on a cubic seed particle was simulated by classical molecular dynamics. Seed size and supersaturation ratio of the system were the factors that were examined in order to observe the effects of the dimension of seeds and thermodynamic conditions. Two stages of nucleation were observed in the phenomenon, where the first stage is from the seed growth and the second from homogeneous nucleation. Therefore, the nucleation rate and growth rate were each calculated by the Yasuoka-Matsumoto method. As seed size increased the growth rate decreased, but there was no clear seed influence on the homogeneous nucleation characteristics. Besides the classical nucleation theory, cluster formation free energy and kinetic analysis were conducted. The free energy in the exponential term of the classical nucleation theory and that obtained from the cluster formation free energy showed different characteristics.
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Lu, J. F., X. F. Peng, and B. Bourouga. "Nucleation Kinetics for Boiling in Microstructures." In ASME 2005 Summer Heat Transfer Conference collocated with the ASME 2005 Pacific Rim Technical Conference and Exhibition on Integration and Packaging of MEMS, NEMS, and Electronic Systems. ASMEDC, 2005. http://dx.doi.org/10.1115/ht2005-72700.

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Theoretical investigation is conducted to understand the bubble nucleation process in microstructures. The bubble evolution in microstructures is investigated for momentum conservation, and the evolution rate is deeply dependent on the structure. According to different dynamic characteristics in the region close to the critical radius, the nucleation process is divided into two stages. Based on the characteristics of these two stages, a nucleation kinetic equation is modified from classical theory and then is conducted to understand the special bubble nucleation process. The result concludes that the nucleation rate will be deduced if bubble evolution is restrained in microstructures.
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Zmievskaya, G. I. "STOCHASTIC MOLECULAR DYNAMICS OF FORMATION OF POROSITY NANOSTRUCTURES AND CONDENSATION CLUSTERS." In 9TH INTERNATIONAL SYMPOSIUM ON NONEQUILIBRIUM PROCESSES, PLASMA, COMBUSTION, AND ATMOSPHERIC PHENOMENA. TORUS PRESS, 2020. http://dx.doi.org/10.30826/nepcap9a-16.

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Computer simulation of porosity nucleation during implantation of inert gas ions and vapor condensation in a discharge plasma is based on the equations of the kinetic theory of the initial stage of the phase transition - fluctuation nucleation.
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Suh, Donguk, and Kenji Yasuoka. "Molecular Dynamics Simulation of Three-Dimensional Heterogeneous Nucleation." In ASME/JSME 2011 8th Thermal Engineering Joint Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/ajtec2011-44407.

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Nanoparticle growth based on three-dimensional heterogeneous nucleation was simulated by classical molecular dynamics. To collectively observe the effects of the dimension of seeds and thermodynamic conditions, seed size and system supersaturation ratio were the factors that were examined to see if they influenced the nucleation rates. Two stages were found to exist within the system, where the first stage is from the seed growth and the second from homogeneous nucleation. The Yasuoka-Matsumoto method was used to calculate the rates. The homogeneous nucleation characteristics coincided with the classical nucleation theory, but heterogeneous nucleation showed an irregular form, which at the current state cannot not be fully understood. Kinetic analysis was also performed to calculate the critical nucleus size and better understand the seed growth characteristics. All in all, the seed effects were insignificant to the overall nucleation characteristics for this system.
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Zhang, H., X. Y. Wang, and S. Sampath. "Analysis of Undercooling, Nucleation, Rapid Solidification, and Microstructure Formation in Thermal Spraying." In ASME 2002 International Mechanical Engineering Congress and Exposition. ASMEDC, 2002. http://dx.doi.org/10.1115/imece2002-32907.

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A splat formation model including undercooling, nucleation, and non-equilibrium solidification has been developed to study the thermal characteristics of molten droplets impacting on a flat substrate. The nucleation sub-model is based on the classic nucleation theory accounting for heterogeneous nucleation kinetic and crystal growth. The effects of contact angle on nucleation temperature and grain density have been investigated. The grain size distributions have been predicted and compared with experimental results for molybdenum (Mo) splats on different substrates. Based on scaling analysis, time scales of various sub-processes, e.g., the nucleation delay, recalesence, and total solidification time, have been derived, and compared with simulation results.
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Eder, Gerhard. "The Role of Heat Transfer Problems in Standard Crystallization Experiments." In ASME 1997 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 1997. http://dx.doi.org/10.1115/imece1997-0838.

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Abstract In most publications dealing with crystallization kinetics also nowadays Avrami’s model from 1939 is used for analyzing experimental data. There have been made many attempts to generalize this isothermal model to arbitrary non-isothermal crystallization processes. The solution of this problem can be found in a work by A.N. Kolmogoroff from 1937. The basic crystallization kinetic quantities in this theory are some crystal growth rate and nucleation rate, which both may depend arbitrarily on time. For analyzing data with such models it is essential to have a good control of the temperature history, since both kinetic quantities are very sensitive with respect to temperature changes. A very popular reason to develop new kinetic models was often the fact, that experimental results could not be described by the classical models. In this paper heat transfer problems are shown to be a decisive source of such deviations.
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Dai, Chong, Zhaoyi Dai, Samiridhdi Paudyal, Saebom Ko, Yue Zhao, Xin Wang, Xuanzhu Yao, Amy Kan, and Mason Tomson. "New Kinetic Turbidity Test Method and Prediction Model for Calcite Inhibition." In SPE International Conference on Oilfield Chemistry. SPE, 2021. http://dx.doi.org/10.2118/204398-ms.

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Abstract Calcite, as one of the most common scales in oilfield can be inhibited by common scale inhibitors. The measurement of calcite nucleation and inhibition is a challenge, because of the difficulty to control pH as a result of CO2 partitioning in and out of the aqueous phase. A new kinetic turbidity test method was developed so that the partial pressure of CO2, pH, and SI can be precisely controlled. Calcite nucleation and inhibition batch tests were conducted under various conditions (SI = 0.24-2.41, T = 4-175 °C, and pH = 5.5-7.5) in the presence of common phosphonate and polymeric inhibitors. Based on experimental results, calcite nucleation and inhibition semi-empirical models are proposed, and the logarithm of the predicted induction time is in good agreement with the measured induction time. The models are also validated with laboratory and field observations. Furthermore, a new BCC CSTR Inhibition (BCIn) test method that applied the Continuous Stirred Tank Reactor (CSTR) theory has been developed, for the first time. This BCIn method was used for calcite inhibitor screening tests and minimum inhibitor concentration (MIC) estimation. By only running one experiment (&lt; 1 hour) for each inhibitor, BCIn method selected the effective inhibitors among 18 common inhibitors under the conditions of SI = 1.23 at 90 °C and pH = 6. It was also found that the critical concentration (Ccrit) from BCIn method has a correlation with the MIC from batch tests. This study provided a simple and reliable solution for conducting calcite scale inhibition tests in an efficient and low-cost way. Furthermore, the newly developed prediction models can be used as guidance for laboratory tests and field applications, potentially saving enormous amounts of time and money.
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Robert, C., A. Denoirjean, A. Vardelle, G. X. Wang, and S. Sampath. "Nucleation and Phase Selection in Plasma-Sprayed Alumina: Modeling and Experiment." In ITSC 1998, edited by Christian Coddet. ASM International, 1998. http://dx.doi.org/10.31399/asm.cp.itsc1998p0407.

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Abstract This paper presents a one-dimensional heat transfer model which predicts the solidification and cooling of a plasma-sprayed alumina splat after the flattening process is completed. A heterogeneous nucleation process taking place on the substrate surface was assumed. The density and average size of the formed nuclei were determined from the integration of the nucleation rate calculated from the classical kinetic theory for nucleation. This rate depends on the activation energy required for nucleation which takes into account the effect of the surface via a wetting angle between the growing nucleus and the catalytic surface. This contact angle was estimated from the comparison of the computed grain density with the density observed on splat surface using an atomic force microscope. When 67% of the splat surface in contact with the substrate are covered by grains, a planar solidification front was assumed to move through the melt. The theoretical model accounted also for the selection of the crystalline phase. Calculations were performed for various substrate materials at different initial temperatures. Results are expressed in terms of nucleation temperature, nucleation rate, density and grain size distribution.
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