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Academic literature on the topic 'Nucleation mechanism'

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Published: 4 June 2021
Last updated: 20 February 2023

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Journal articles on the topic "Nucleation mechanism"

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Chen, Qizhi, Can Sang, Xingfang Wu, and Jun Ke. "Martensitic nucleation mechanism." Science in China Series E: Technological Sciences 40, no. 4 (August 1997): 387–95. http://dx.doi.org/10.1007/bf02919425.

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Korhonen, H., S. L. Sihto, V. M. Kerminen, and K. E. J. Lehtinen. "Evaluation of the accuracy of analysis tools for atmospheric new particle formation." Atmospheric Chemistry and Physics 11, no. 7 (April 1, 2011): 3051–66. http://dx.doi.org/10.5194/acp-11-3051-2011.

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Abstract. Several mathematical tools have been developed in recent years to analyze new particle formation rates and to estimate nucleation rates and mechanisms at sub-3 nm sizes from atmospheric aerosol data. Here we evaluate these analysis tools using 1239 numerical nucleation events for which the nucleation mechanism and formation rates were known exactly. The accuracy of the estimates of particle formation rate at 3 nm (J3) showed significant sensitivity to the details of the analysis, i.e. form of equations used and assumptions made about the initial size of nucleating clusters, with the fraction of events within a factor-of-two accuracy ranging from 43–97%. In general, the estimates of the actual nucleation rate at 1.5 nm (J1.5) were less accurate, and even the most accurate analysis set-up estimated only 59% of the events within a factor of two of the simulated mean nucleation rate. The J1.5 estimates were deteriorated mainly by the size dependence of the cluster growth rate below 3 nm, which the analysis tools do not take into account, but also by possible erroneous assumptions about the initial cluster size. The poor estimates of J1.5 can lead to large uncertainties in the nucleation prefactors (i.e. constant P in nucleation equation J1.5 = P × [H2SO4]k). Large uncertainties were found also in the procedures that are used to determine the nucleation mechanism. When applied to individual events, the analysis tools clearly overestimated the number of H2SO4 molecules in a critical cluster for most events, and thus associated them with a wrong nucleation mechanism. However, in some conditions the number of H2SO4 molecules in a critical cluster was underestimated. This indicates that analysis of field data that implies a maximum of 2 H2SO4 molecules in a cluster does not automatically rule out a higher number of molecules in the actual nucleating cluster. Our analysis also suggests that combining data from several new particle formation events to scatter plots of H2SO4 vs formation rates (J1.5 or J3) and determining the slope of the regression line may not give reliable information about the nucleation mechanism. Overall, while the analysis tools for new particle formation are useful for getting order-of-magnitude estimates of parameters related to atmospheric nucleation, one should be very cautious in interpreting the results. It is, for example, possible that the tools may have misdirected our theoretical understanding of the nucleation mechanism.
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Korhonen, H., S. L. Sihto, V. M. Kerminen, and K. E. J. Lehtinen. "Evaluation of the accuracy of analysis tools for atmospheric new particle formation." Atmospheric Chemistry and Physics Discussions 10, no. 11 (November 5, 2010): 26279–317. http://dx.doi.org/10.5194/acpd-10-26279-2010.

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Abstract. Several mathematical tools have been developed in recent years to analyze new particle formation rates and to estimate nucleation rates and mechanisms at sub-3nm sizes from atmospheric aerosol data. Here we evaluate these analysis tools using 1239 numerical nucleation events for which the nucleation mechanism and formation rates were known exactly. The accuracy of the estimates of particle formation rate at 3 nm (J3) showed significant sensitivity to the details of the analysis, i.e. form of equations used and assumptions made about the initial size of nucleating clusters, with the fraction of events within a factor-of-two accuracy ranging from 43–97%. In general, the estimates of the actual nucleation rate at 1.5 nm (J1.5) were less accurate, and even the most accurate analysis set-up estimated only 59% of the events within a factor of two of the simulated mean nucleation rate. The J1.5 estimates were deteriorated mainly by the size dependence of the cluster growth rate below 3 nm, which the analysis tools do not take into account, but also by possible erroneous assumptions about the initial cluster size. The poor estimates of J1.5 can lead to large uncertainties in the nucleation prefactors (i.e. constant P in nucleation equation J1.5 = P × [H2SO4]k). Large uncertainties were found also in the procedures that are used to determine the nucleation mechanism. When applied to individual events, the analysis tools clearly overestimated the number of H2SO4 molecules in a critical cluster for most events, and thus associated them with a wrong nucleation mechanism. However, in some conditions the number of H2SO4 molecules in a critical cluster was underestimated. This indicates that analysis of field data that implies a maximum of 2 H2SO4 molecules in a cluster does not automatically rule out a higher number of molecules in the actual nucleating cluster. Our analysis also suggests that combining data from several new particle formation events to scatter plots of H2SO4 vs. formation rates (J1.5 or J3) and determining the slope of the regression line may not give reliable information about the nucleation mechanism.
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Sankaran, A., Emmanuel Bouzy, Matthew R. Barnett, and Alain Hazotte. "Grain Boundary-Dependent Selection Criteria for Nucleation of Gamma-Massive Grains in TiAl-Based Alloys." Materials Science Forum 654-656 (June 2010): 2338–41. http://dx.doi.org/10.4028/www.scientific.net/msf.654-656.2338.

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Rapid cooling of TiAl-based alloy from α phase (disordered hexagonal, A3) generates  phase (ordered tetragonal, L1o) grains through massive transformation nucleating mostly over the α/α grain boundaries. This current work deals with the identification and the validation of different nucleation mechanisms during  massive transformation in TiAl-based alloys. Special attention has been given to the variant selection criteria for the nucleation of the massive structures along different types of α/α grain boundaries. The  massive domains formed along the grain boundaries were analysed using high resolution electron backscattered diffraction (EBSD). Statistical studies were made on different nucleation sites and different mechanisms are proposed. Two–dimensional studies of the nucleation mechanism suggest that the minimization of the interfacial energy could be the predominant criteria during the grain boundary nucleation. In order to verify this nucleation criterion in three-dimensions, serial sections were made and EBSD maps were taken and analysed in each section. The variant selection observed during the nucleation and the growth of the  massive grains is further discussed after getting a broader view under three-dimensional investigations.
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MONETTE, L. "SPINODAL NUCLEATION." International Journal of Modern Physics B 08, no. 11n12 (May 30, 1994): 1417–527. http://dx.doi.org/10.1142/s0217979294000646.

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The aim of this paper is to present the theoretical foundations of spinodal nucleation, by reviewing key theoretical and numerical work. The basic ideas of classical nucleation theory are first presented: the classical droplet model, and the Becker-Döring theory, as these concepts are important to the development of the field theoretical formulation of nucleation. The field theoretical framework for classical nucleation is exposed in some detail, followed by the presentation of a similar framework, extended to nucleation in the proximity of a spinodal (non-classical nucleation), in the presence of long-range Ising interactions. The non-classical nucleating droplet is found to be diffuse, hence to strongly depart from the classical prediction of a compact object with a well-defined surface. The fact that the non-classical nucleating droplet is identified with a ramified object prompts the development of an appropriate cluster description. The basic principles of percolation theory are outlined, and some lattice percolation models introduced. The Kastaleyn-Fortuin mapping, which establishes a connection between a particular percolation model and a limit of the Potts model, is briefly described. This mapping is crucial to the development of a second mapping (Coniglio-Klein) of the Ising spinodal point into a percolation model, where the long-range Ising interactions are translated into a long-range connectivity in the appropriate percolation model. The final result consists of the most powerful tool available to identify precisely the non-classical nucleating droplet in numerical simulations of nucleation in proximity of a spinodal. Numerical simulation results are presented, which support the field theoretical formulation of non-classical nucleation. As the numerical results seem to support the fact that the non-classical nucleating droplet is also a percolation cluster, its fractal structure is investigated by considering the mean-field regime of the percolation model, i.e. a percolation model with long-range connectivity. This leads to an apparent contradiction between the field theory and the mean-field percolation model predictions concerning the mass (or density) scaling of the nucleating droplet. This inconsistency is resolved by postulating that the mean-field percolation clusters cannot be non-classical nucleating droplets, and proposing that the non-classical nucleating droplet is in fact the result of a coalescence of many such clusters. Finally, the calculation of the static prefactor in the nucleation rate by assuming a Becker-Döring dynamics for the coalescence mechanism is outlined. The result is found to be consistent with the predictions of the field theory for the static prefactor. Numerical results are also presented in support of the hypothesized coalescence mechanism.
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Akchurin, Marat, Ruslan Zakalyukin, and Alexander Kaminskii. "Twinning mechanism of nucleation." physica status solidi (c) 10, no. 6 (May 6, 2013): 921–25. http://dx.doi.org/10.1002/pssc.201300024.

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Ning, An, Ling Liu, Lin Ji, and Xiuhui Zhang. "Molecular-level nucleation mechanism of iodic acid and methanesulfonic acid." Atmospheric Chemistry and Physics 22, no. 9 (May 10, 2022): 6103–14. http://dx.doi.org/10.5194/acp-22-6103-2022.

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Abstract. Both iodic acid (HIO3, IA) and methanesulfonic acid (CH3S(O)2OH, MSA) have been identified by field studies as important precursors of new particle formation (NPF) in marine areas. However, the mechanism of NPF in which IA and MSA are jointly involved is still unclear. Hence, we investigated the IA-MSA nucleation system under different atmospheric conditions and uncovered the corresponding nucleating mechanism at the molecular level for the first time, using a quantum chemical approach and Atmospheric Cluster Dynamics Code (ACDC). The findings show that the pure-IA nucleation rate was much lower than the results of CLOUD (Cosmics Leaving Outdoor Droplets) experiments. MSA can promote IA cluster formation through stabilizing IA via both hydrogen and halogen bonds, especially under conditions with lower temperatures, sparse IA, and rich MSA. However, the nucleation rate of the IA-MSA mechanism is much lower than that of field observations, indicating that the effect of additional nucleation precursors needs to be considered (e.g., H2SO4, HIO2, NH3, and amines). The IA-MSA nucleation mechanism revealed in this study may help to gain insight into the joint effect of marine sulfur- and iodine-containing components on marine NPF.
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Baht, Gurpreet S., Jason O'Young, Antonia Borovina, Hong Chen, Coralee E. Tye, Mikko Karttunen, Gilles A. Lajoie, Graeme K. Hunter, and Harvey A. Goldberg. "Phosphorylation of Ser136 is critical for potent bone sialoprotein-mediated nucleation of hydroxyapatite crystals." Biochemical Journal 428, no. 3 (May 27, 2010): 385–95. http://dx.doi.org/10.1042/bj20091864.

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Acidic phosphoproteins of mineralized tissues such as bone and dentin are believed to play important roles in HA (hydroxyapatite) nucleation and growth. BSP (bone sialoprotein) is the most potent known nucleator of HA, an activity that is thought to be dependent on phosphorylation of the protein. The present study identifies the role phosphate groups play in mineral formation. Recombinant BSP and peptides corresponding to residues 1–100 and 133–205 of the rat sequence were phosphorylated with CK2 (protein kinase CK2). Phosphorylation increased the nucleating activity of BSP and BSP-(133–205), but not BSP-(1–100). MS analysis revealed that the major site phosphorylated within BSP-(133–205) was Ser136, a site adjacent to the series of contiguous glutamate residues previously implicated in HA nucleation. The critical role of phosphorylated Ser136 in HA nucleation was confirmed by site-directed mutagenesis and functional analyses. Furthermore, peptides corresponding to the 133–148 sequence of rat BSP were synthesized with or without a phosphate group on Ser136. As expected, the phosphopeptide was a more potent nucleator. The mechanism of nucleation was investigated using molecular-dynamics simulations analysing BSP-(133–148) interacting with the {100} crystal face of HA. Both phosphorylated and non-phosphorylated sequences adsorbed to HA in extended conformations with alternating residues in contact with and facing away from the crystal face. However, this alternating-residue pattern was more pronounced when Ser136 was phosphorylated. These studies demonstrate a critical role for Ser136 phosphorylation in BSP-mediated HA nucleation and identify a unique mode of interaction between the nucleating site of the protein and the {100} face of HA.
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Dráber, Pavel, and Eduarda Dráberová. "Dysregulation of Microtubule Nucleating Proteins in Cancer Cells." Cancers 13, no. 22 (November 11, 2021): 5638. http://dx.doi.org/10.3390/cancers13225638.

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In cells, microtubules typically nucleate from microtubule organizing centers, such as centrosomes. γ-Tubulin, which forms multiprotein complexes, is essential for nucleation. The γ-tubulin ring complex (γ-TuRC) is an efficient microtubule nucleator that requires additional centrosomal proteins for its activation and targeting. Evidence suggests that there is a dysfunction of centrosomal microtubule nucleation in cancer cells. Despite decades of molecular analysis of γ-TuRC and its interacting factors, the mechanisms of microtubule nucleation in normal and cancer cells remains obscure. Here, we review recent work on the high-resolution structure of γ-TuRC, which brings new insight into the mechanism of microtubule nucleation. We discuss the effects of γ-TuRC protein dysregulation on cancer cell behavior and new compounds targeting γ-tubulin. Drugs inhibiting γ-TuRC functions could represent an alternative to microtubule targeting agents in cancer chemotherapy.
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Suzuki, Tetsuro. "Nucleation Mechanism of the Martensite." Materials Transactions, JIM 32, no. 2 (1991): 114–21. http://dx.doi.org/10.2320/matertrans1989.32.114.

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Dissertations / Theses on the topic "Nucleation mechanism"

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Jawor-Baczynska, Anna. "Nucleation mechanism of crystal formation during antisolvent or cooling induced crystallisation." Thesis, University of Strathclyde, 2010. http://oleg.lib.strath.ac.uk:80/R/?func=dbin-jump-full&object_id=22626.

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This project studied the nucleation mechanism of crystal formation during antisolvent or cooling crystallisation of simple amino acids: D,L-valine and glycine. These amino acids can co-precipitate with proteins to form Protein Coated Microcrystals (PCMCs) in which the crystals create a solid support and the biomacromolecules cover their surface while remaining in a native state. The understanding of the formation mechanism of small microcrystals would help to better control and manage the process which leads to ordered attachment of biomacromolecules on their surfaces. Spectrophotometry, 1H nuclear magnetic resonance (NMR), dynamic light scattering (DLS) and optical microscopy were used to probe the evolution of the system from the transparent solution to a suspension of microcrystals. The nucleation mechanism of antisolvent crystallisation was found to involve formation of a transparent nanoemulsion composied of sub-micron valine-rich liquid nanodroplets with an average size and size distribution depending on supersaturation and the mixing conditions used during sample preparation. The supersaturated solutions prepared by cooling crystallisation, without agitation produced smaller nanodroplets and resulted in formation of only a few large crystals with an extremely slow crystallisation rate compared to samples with identical composition prepared by antisolvent crystallisation. The following nucleation mechanism of amino acids crystals is proposed: dissolution of amino acid into an aqueous/2-propanol mixture at concentration close to saturation results in spontaneous formation of a thermodynamically stable system consisting of amino acid rich liquid nanodroplets dispersed in amino acid solution; above a particular amino acid composition (consistent with the crystal solubility limit) the dispersed nanodroplets become metastable and shear induced coalescence of nanodroplets can provide access to a fast crystallisation pathway (non-classical); in the absence of shear the nanodroplets are colloidally-stable and crystallisation follows a much slower pathway (classical). The spontaneous formation of solute-rich nanodroplets below the crystalline saturation limit as well as formation of metastable solute-rich nanodroplets above this limit provides a paradigm shift which can be potentially used to develop fundamental understanding of nonclassical crystallisation phenomena. It will be crucial for better design and control of crystallisation processes in pharmaceutical applications.
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Liu, Yao. "Experimental investigation of the mechanism for non-photochemical laser induced nucleation." Thesis, University of Edinburgh, 2017. http://hdl.handle.net/1842/28723.

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The aim of this thesis was to discover the mechanism for non-photochemical laser-induced nucleation (NPLIN), which is a technique for inducing nucleation of crystals with laser light without absorption. The mechanism of the optical Kerr effect (OKE) was suggested by Garetz et al. [Physical Review Letters 77, 3475–3476 (1996)] to give an explanation for NPLIN. Since the feasibility of the OKE mechanism for NPLIN has been questioned, a series of experiments on NPLIN of aqueous supersaturated urea were carried out to quantify the relationship between crystal alignment and laser polarization. Digital imaging of crystal growth during laser irradiation showed that nascent needle-shaped crystals of urea were not aligned with the direction of the electric field of the laser. Additionally, work on glycine was aimed at verifying the possibility to control the polymorph of the obtained crystal via the laser polarization. However, our finding shows that the probability of γ-glycine is more likely to increase with increasing supersaturation; and the influence of laser polarization on the resulting morphologies is not strong as reported by Sun et al. [Crystal Growth & Design 6, 684–689 (2006)]. Furthermore, in another work on NPLIN of L-histidine, based on Sun et al. [Crystal Growth & Design 8, 1720–1722 (2008)], we were unable to reproduce the results as stated in Sun’s published paper. We find their results exhibit a large uncertainty when recalculated through the Wilson score interval for binomial distributions. On account of these revised uncertainties, it is unlikely that laser polarization gives polymorphism control. Comparison with the nucleation probability of unfiltered samples in the work of urea and glycine shows that the number of filtered samples nucleated as a result of NPLIN was largely decreased. Moreover, experiments on NPLIN of NaCl and KCl also exhibited that the number of filtered samples nucleated was significantly lower than that of unfiltered samples. This downward tendency in nucleation probability after filtration cannot be explained by Garetz’s OKE mechanism. On account of this, an alternative mechanism named particle-heating mechanism was proposed, and supported by experiments on NPLIN of sodium acetate. Sodium acetate experiments showed that the crystallization of sodium acetate can be induced by a single pulse of a nanosecond laser (1064 nm) with minimum power of 0.1 J cm−2. As discovered by Oliver et al. [D. Oliver, PhD Thesis, Edinburgh University, 2014], anhydrous or trihydrate sodium acetate can be formed under the effects of different organic and inorganic additives, such as poly- (methacrylic acid) and disodium hydrogen phosphate. We demonstrate that crystalline growth velocities and crystal morphology can be influenced by these additives. We find that high levels of additive cause only nucleation of bubbles. By counting the number of crystals, which is approximately consistent to the number of bubbles observed, video microscopy of laser-induced crystallization of sodium acetate has revealed that the general mechanism of NPLIN is most likely to be caused by a particle-heating mechanism. Chapter 8 of the thesis describes a number of solute molecules that were tested using NPLIN, but failed. In terms of improvements for future work or a perspective on NPLIN, detailed suggestions have been described in Chapter 9, which also gives a summary of all work presented.
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Mahony, Michael F. "Investigation into the mechanism of acicular ferrite nucleation in steel weld metal." Thesis, Monterey, Calif. : Springfield, Va. : Naval Postgraduate School ; Available from National Technical Information Service, 1999. http://handle.dtic.mil/100.2/ADA367290.

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Moors, Matthieu. "Study of the nucleation mechanism of carbon nanotubes by field emission techniques." Doctoral thesis, Universite Libre de Bruxelles, 2010. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/210109.

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The present work is focused on the nucleation and growth mechanism of carbon nanotubes (CNT) that we have studied through different field emission techniques (FEM, FIM and atom-probe (PFDMS)). Reaction conditions associated with the CVD synthesis method were modeled inside the microscope aiming at studying nucleation phenomena at high resolution. The interaction between different metals (Fe, Co, Ni, conditioned as sharp tips) and gases (acetylene, ethylene and ethanol) was analyzed operando at high temperatures (500–900K), with the aim of reproducing growth conditions during the imaging process.

Ni was, in the end, the only metal studied, due to the poor quality of images acquired from Co and Fe. Aimed at reproducing the conditioning step of the catalyst often observed in CVD protocols, a first study showed that the crystal adopts a polyhedral morphology at the working temperature (873K) in an hydrogen atmosphere or under Ultra-High-Vacuum conditions, by the extension of dense crystal planes like {111} or {100}. The presence of hydrogen in the chamber does not seem to present any influence on the final crystal morphology at temperatures above 600K.

When exposed to a carbon-containing gas, nickel crystals present two distinct behaviors following the temperature region that is explored. At temperatures below ~623K, exposing Ni to ethylene or acetylene leads to the formation of a stable and poorly structured nickel carbide layer. The superficiality of this carbide is proven by the ease of its physical (by increasing the electrical field) or chemical (exposure to hydrogen or oxygen) evacuation. These three treatments initiate a clean-off phenomenon that evacuates the carbide layer. Reproducing these experiments in the atom-probe confirmed the carbidic nature of the surface as NiCy compounds were collected.

At temperatures above 623K, the carbide layer (formed by exposing Ni to the same gases) becomes unstable. Its formation is related to a transition period that precedes the nucleation of graphenes on the surface. The Ni crystal undergoes a massive morphological transformation when acetylene is introduced in the chamber at 873K. This phenomenon is induced by the presence of carbon on the surface which adsorbs so strongly on step sites that it provokes their creation. Carbon also induces a considerable enhancement of Ni atoms mobility that allows for this transition to occur. Once the new morphology is attained, nucleation of graphenes is observed to start on the extended and carbon-enriched step-containing crystal planes. By reproducing these experiments in the atom-probe, a high surface concentration of carbon dimers and trimers was observed. A kinetic study of their formation was thus achieved and showed that they were formed on the surface by the recombination of Cad. Their potential role as building-blocks of the CNT growth process (which had previously been proposed following theoretical considerations) is thus suggested on the basis of experimental results for the first time.

Two critical surface concentrations are highlighted in the present work. The first one is needed for the formation of carbon dimers and trimers and the second one has to be attained, during the morphological transformation, before the onset of graphene nucleation, probably providing a sufficient growth rate of the graphitic nuclei and allowing them to attain their critical size before their decomposition.

Finally, the observation of rotational circular patterns, most probably related to carbon nanotubes, suggests that CNT growth (and not only graphene nucleation) occurred episodically in our conditions, confirming the validity of our model.


Doctorat en Sciences
info:eu-repo/semantics/nonPublished

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Kim, HoKwon. "A study of the nucleation and growth mechanism of graphene on copper." Thesis, Imperial College London, 2013. http://hdl.handle.net/10044/1/15159.

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Two approaches for the large scale synthesis of graphene were investigated with the objective of achieving high-quality graphene for practical applications: (1) non-covalent solution based exfoliation of graphite, and (2) chemical vapour deposition of graphene on copper. As the processing conditions, structure, and properties of graphene are inherently connected, the aim of the study was to gain fundamental insights on the critical mechanisms that govern the properties and device performance of graphene. The first part of this thesis describes the efficient non-covalent exfoliation of graphite to produce few-layer-graphene dispersion in N-methylpyrrolidone and large-scale thin film deposition using the Langmuir-Blodgett assembly. In the second part, the chemical vapour deposition of polycrystalline graphene films on copper was investigated as it has emerged as the most promising route toward large scale synthesis of monolayer graphene for optoelectronics applications due to its properties approaching that of ideal graphene and the relatively low cost of copper. An extensive range of growth parameters was employed to develop a model of two-dimensional nucleation and self-limited growth of graphene on the surface of copper. The analysis of the nucleation and growth kinetics has revealed the relationship between atomic processes that impart two distinct temperature regimes of nucleation, whereas the growth of the individual nuclei was shown to be rate-limited by the carbon attachment at the nuclei edges. Moreover, the growth on high index copper surfaces has shown that graphene nanostructures of controlled shapes, density, and dimensions can be produced, depending on the Cu crystal orientation. Interestingly, few-layer-graphene grown on Cu frequently exhibits AA stacking with interlayer spacing of ~3.6 Å , with a preserved linear dispersion relationship. This work thus provides practical guidelines for achieving wafer scale single crystal graphene as well as the control over the mesoscale structure by the careful selection of the growth parameters.
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Callahan, Craig James. "The influence of hydrodynamic environment on the nucleation mechanism of a chiral crystallization." Thesis, Heriot-Watt University, 2014. http://hdl.handle.net/10399/2785.

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This thesis presents the results and discussions of an investigation into nucleation mechanisms in a cooling crystallization of sodium chlorate in both a stirred tank crystallizer (STC) and an oscillatory baffled crystallizer (OBC) under various crystallizer configurations and operational conditions. The key question to be addressed was why nucleation took place in an OBC without seeds, while seeds were essential in an STC for the same chemistry and at the same process conditions. Various hypotheses have been initiated, tested and verified in both primary and secondary nucleation experiments, and new scientific insights and better understanding have been achieved on the parameters that have influenced the nucleation mechanisms and some explanations as to why seeds were not necessary in the OBC are put forward. For the seeded nucleation, the fluid dynamic environment and mixing mechanics were responsible for dictating the nature of the nucleation mechanism. The unique scraping action of the baffles against the crystallizer wall in the OBC enabled a different enantiomorphism of the product crystals compared to the seed crystal. Removing such a motion in the OBC provided product crystals similar to that seen in the STC. The degree and the means of mixing near the single seed crystal also affected the crystal handedness. For the primary nucleation experiments, it was found that the handedness of the product crystals in the STC was strongly orientated towards a single enantiomorph, while both enantiomorphs were formed in the OBC. The results were suggestive of a lower free energy barrier in the OBC, in turn resulting in primary nucleation being favoured in the OBC as opposed to rapid secondary nucleation being dominant in the STC.
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Leswin, Joost Sieger Kaspar. "Particle Formation in RAFT-mediated Emulsion Polymerization." University of Sydney, 2007. http://hdl.handle.net/2123/2176.

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Doctor of Philosophy(PhD)
Particle formation in RAFT-mediated emulsion polymerization has been studied using reaction calorimetry. By measuring the heat flow during controlled feed ab-initio emulsion polymerization in the presence of amphipathic RAFT agents, particle formation by self-assembly of these species could be observed. Two different monomer systems, i.e. styrene and n-butyl acrylate, and various degrees of hydrophobicity of the initial macro-RAFT agents have been studied and compared. The different macro-RAFT agents were synthesized by first forming a hydrophilic block of poly(acrylic acid) that would later on act as the electrosteric stabilizing group for the particles. Subsequently, different lengths of hydrophobic blocks were grown at the reactive end of the poly(acrylic acid) hydrophilic block via the RAFT-mediated controlled radical polymerization, either comprised of n-butyl acrylate or styrene. Two processes govern particle formation: adsorption of macro-RAFT agents onto growing particles and formation of new particles by initiation of micellar aggregates or by homogeneous nucleation. Competition between these processes could be observed when monomers with a relatively high (n-butyl acrylate) or low (styrene) propagation rate coefficient were used. A model describing particle formation has been developed and the results of model calculations are compared with experimental observations. Preliminary modeling results based on a set of reasonable physico-chemical parameters already showed good agreement with the experimental results. Most parameters used have been verified experimentally. The development of the molecular weight distribution of the macro-RAFT agents has been analyzed by different techniques. Quantification of the particle formation process by analytical techniques was difficult, but qualitative insights into the fundamental steps governing the nucleation process have been obtained. The amount of macro-RAFT agents initially involved in particle formation could be determined from the increase of molecular weight. The particle size distribution has been measured by capillary hydrodynamic fractionation, transmission electron microscopy and dynamic light scattering. From the data obtained from these particle-sizing techniques, the number of particles during the reaction could be monitored, leading to an accurate estimate for the particle formation time. Upon implementation of the experimental data obtained for the surface active macro-RAFT systems, the model demonstrated to be very sensitive towards the “headgroup” area of the macro-RAFT species. Three nucleation cases based on the initial surface activity of the macro-RAFT species in the aqueous phase are proposed to explain the deviations from the assumptions of the nucleation model. Even though the macro-RAFT species have a narrow molecular weight distribution, they are nevertheless made up of a distribution of block lengths of polystyrene upon a distribution of block lengths of poly(acrylic acid). The resulting differences in initial surface activity are the most probable reason for the observed differences between model calculations and experimental results for the nucleation time and particle size distribution of the final latex product. With the procedure described above, latexes have been synthesized without using conventional surfactants and the mechanisms involved in the particle formation for these systems have been elucidated. The results of this work enable production of latex systems with well defined molecular mass distributions and narrow particle size distributions. Furthermore, the technique based on the application of amphipathic RAFT agents is promising for the production of complex polymeric materials in emulsion polymerization on a technical scale.
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Nagaraj, Madhu [Verfasser], and Christiane [Akademischer Betreuer] Ritter. "Structural Analysis of Nucleation Mechanism in Curli Biogenesis using Nuclear Magnetic Resonance Spectroscopy / Madhu Nagaraj ; Betreuer: Christiane Ritter." Braunschweig : Technische Universität Braunschweig, 2012. http://d-nb.info/1175822051/34.

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Rabizadeh, Taher. "The nucleation, growth kinetics and mechanism of sulfate scale minerals in the presence and absence of additives as inhibitors." Thesis, University of Leeds, 2016. http://etheses.whiterose.ac.uk/16652/.

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In this research, I focused on elucidating the crystallisation kinetics and formation mechanism of calcium sulfate phases, specifically gypsum, in the presence and absence of additives as inhibitors. In many industries such as oil production and water desalination, calcium sulfate formation is a problem that causes pipeline and membrane clogging and reduces system efficiency. Thus, different types of additives are added to these systems as inhibitors to tackle the scaling problem. However, their efficiency or effectiveness in terms of calcium sulfate inhibition has not been fully tested and the processes are not well-understood at the mechanistic level. In this thesis, therefore, I investigated the effects of various carboxylic acids, alkali / alkaline earth metal cations, polycarboxylic acids and phosphonates as gypsum inhibitors to fill this knowledge gap. My results revealed that all additives delayed the crystallisation of gypsum to various degrees and by various pathways. I monitored the change in the time needed for turbidity in a reacting solution to start (induction time) and develop (crystallisation kinetics). I analysed the changes in both solution chemistry and solid characteristics, including surface properties, morphologies as well as composition, to derive a mechanistic understanding of how these additives affect gypsum formation. The results illustrated that among the tested carboxylic acids (tartaric, maleic and citric), citric acid performed far better than tartaric and maleic (at equivalent concentrations) and using citric acid dramatically increased the induction time (~ 4 fold, to ~ 25 minutes). Among the tested alkali / alkaline earth metal cations (Li+, K+, Na+ and Mg2+), Mg2+ decreased the nucleation and growth kinetics ~ 5 to ~ 10 fold more than Li+, Na+ and K+ even at low concentrations. Mg2+, Li+ and K+ only adsorbed to the gypsum crystals surfaces, while ~ 25% of associated Na+ became incorporated into the synthesised crystals and Li+ and Mg2+ also acted as shape and size modifiers. When I tested the effects of biodegradable polycarboxylic additives (polyaspartic acid; PASP and polyepoxysuccinic acid; PESA) and compared their efficiency with a traditionally used non-biodegradable (polyacrylic acid; PAA) antiscalant, I showed that PASP and PESA had a profound effect on gypsum crystallisation, with PASP having the highest inhibition efficiency. The PAA conformation and molecular weight both played important roles in affecting the crystallisation kinetics because of changes in surface adsorption mechanisms. Finally, I tested some industrial phosphonate inhibitors and demonstrated that they are indeed strong gypsum inhibitors, but I also showed for the first time that an increase in the number of functional groups affected the efficiency of the additive. Among the tested phosphonates with five phosphonate functional groups, the one with longer molecular chains was the better inhibitor. It is unclear how these additives interacted with the growing gypsum crystals (surface adsorption and / or structural incorporation), but I clearly showed that they affected gypsum growth kinetics and morphologies.
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Ikni, Aziza. "Nucléation non-photochimique induite par laser (NPLIN) : Application à la carbamazépine et résultats préliminaires sur le sulfathiazole." Thesis, Châtenay-Malabry, Ecole centrale de Paris, 2015. http://www.theses.fr/2015ECAP0022/document.

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L’étude du polymorphisme de composés pharmaceutiques est un domaine en plein essor. Cela est dû d’une part aux pressions économiques exercées par l’industrie pharmaceutique et d’autre part pour une meilleure compréhension des conséquences du polymorphisme sur les propriétés des médicaments (stabilité physique et chimique, solubilité, vitesse de dissolution,biodisponibilité, propriétés mécaniques, etc.). Cette thèse étudie la cristallisation par la technique de nucléation non-photochimique induite par laser (NPLIN) des molécules pharmaceutiques organiques. Dans ce contexte, un nouveau montage expérimental semi-automatisé adapté aux exigences des études NPLIN a été conçu et réalisé, permettant le contrôle de nombreux paramètres et le traitement simultané d’un grand nombre d'échantillons et ainsi réalisé un gain de temps considérable. Une méthode de travail a été également établie afin de limiter l’aléa expérimental. L’étude de l’impact des paramètres du laser sur la cristallisation de la carbamazepine et du sulfathiazole dans différents solvants(méthanol, éthanol, acétonitrile) a été menée. Les résultats obtenus ont permis de démontrer pour la première fois dans la littérature que la NPLIN permet d’obtenir des cristaux de CBZ et de sulfathiazole dont les formes polymorphiques dépendent de la polarisation du laser et du type de solvant. Une approche permettant la prédiction de la forme polymorphique des molécules organiques de la base CSD, dans le cas de l’utilisation de la NPLIN, a été proposée et appliquée pour les molécules CBZ et la sulfathiazole étudiées expérimentalement. A partir de nos résultats expérimentaux, des calculs d’énergie d’interactions ab initio de dimères des molécules de carbamazépine et de sulfathiazole et sur les résultats observés dans la littérature nous avons pu émettre des hypothèses quant au mécanismes impliqués dans la nucléation NPLIN
Polymorphism study of pharmaceutical compounds is a growing field. This is due, on one hand, to the economic pressure of the pharmaceutical industry and on the other hand, to the more awareness of the polymorphism consequences on the drug properties (chemical and physical stability, solubility, dissolution rate, bioavailibality, mechanical properties,manufacturing process, etc).This thesis studies the crystallisation of organic pharmaceutical molecules by using the Non Photochemical Light Induced technique. Within this context, a new semi-automatic experimental setup suitable to the requirements of NPLIN studies was devised and realised,allowing the control of many parameters and a simultaneous processing of a great number of samples and thus saving a considerable amount of time. A strict working methodology is also established to limit experimental errors. The study of the impact of laser parameters on the crystallisation of carbamazepine and sulfathiazole within different solvents (methanol,ethanol, acetonitrile) was carried-out. The obtained results allowed demonstrating, for the first time in literature, that NPLIN allows to obtain CBZ and sulfathiazole crystals for which the polymorphic forms depend upon the laser polarisation and solvent type. An approach for predicting the polymorphic form of organic molecules in the CSD database, for the case of NPLIN, was proposed and applied for the case of CBZ and sulfathiazole that were studied experimentally. We have also provided hypotheses to explain the mechanisms involved in NPLIN nucleation
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Books on the topic "Nucleation mechanism"

1

Mahony, Michael F. Investigation into the mechanism of acicular ferrite nucleation in steel weld metal. Monterey, Calif: Naval Postgraduate School, 1999.

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Tang, Dai-Ming. In Situ Transmission Electron Microscopy Studies of Carbon Nanotube Nucleation Mechanism and Carbon Nanotube-Clamped Metal Atomic Chains. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013.

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Tang, Dai-Ming. In Situ Transmission Electron Microscopy Studies of Carbon Nanotube Nucleation Mechanism and Carbon Nanotube-Clamped Metal Atomic Chains. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-37259-9.

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Investigation into the Mechanism of Acicular Ferrite Nucleation in Steel Weld Metal. Storming Media, 1999.

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Tang, Dai-Ming. In Situ Transmission Electron Microscopy Studies of Carbon Nanotube Nucleation Mechanism and Carbon Nanotube-Clamped Metal Atomic Chains. Springer, 2013.

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Tang, Dai-Ming. In Situ Transmission Electron Microscopy Studies of Carbon Nanotube Nucleation Mechanism and Carbon Nanotube-Clamped Metal Atomic Chains. Springer, 2016.

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Tang, Dai-Ming. In Situ Transmission Electron Microscopy Studies of Carbon Nanotube Nucleation Mechanism and Carbon Nanotube-Clamped Metal Atomic Chains. Springer, 2013.

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Center, Lewis Research, United States. National Aeronautics and Space Administration. Scientific and Technical Information Branch, and Ohio State University, eds. Fundamentals of microcrack nucleation mechanics. [Washington, D.C.?]: National Aeronautics and Space Administration, Scientific and Technical Information Branch, 1985.

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Nishizawa, Taiji. Thermodynamics of Microstructures. ASM International, 2008. http://dx.doi.org/10.31399/asm.tb.tm.9781627083577.

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Thermodynamics of Microstructures provides a mathematical treatment of the microstructure of materials and the processes and mechanisms involved in its formation. The first few chapters cover the basics of thermodynamics and its application to pure substances, solutions, mixtures, and compounds. Subsequent chapters apply the principles of thermodynamics to phase diagrams and multicomponent systems, interfaces and grain boundaries, diffusion processes, ordering, nucleation, and microstructure changes. The information in the book is presented in a Q&A style and each chapter includes exercises complemented with notes, hints, and answers. The book is intended for students and practitioners in computational materials design and includes many detailed derivations, equations, and models. For information on the print version, ISBN 978-0-87170-716-1, follow this link.
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Lynch, David K., Kenneth Sassen, David O'C Starr, and Graeme Stephens, eds. Cirrus. Oxford University Press, 2002. http://dx.doi.org/10.1093/oso/9780195130720.001.0001.

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Cirrus clouds are high, thin, tropospheric clouds composed predominately of ice. In the last ten years, considerable work has shown that cirrus is widespread--more common than previously believed--and has a significant impact on climate and global change. As the next generation weather satellites are being designed, the impact of cirrus on remote sensing and the global energy budget must be recognized and accommodated. This book, the first to be devoted entirely to cirrus clouds, captures the state of knowledge of cirrus and serves as a practical handbook as well. Each chapter is based on an invited review talk presented at Cirrus, a meeting hosted by the Optical Society of America and co-sponsored by the American Geophysical Union and the American Meteorological Society. All aspects of cirrus clouds are covered, an approach that reaches into diverse fields. Topics include: the definition of cirrus, cirrus climatologies, nucleation, evolution and dissipation, mixed-phase thermodynamics, crystallinity, orientation mechanisms, dynamics, scattering, radiative transfer, in situ sampling, processes that produce or influence cirrus (and vice versa), contrails, and the influence of cirrus on climate.
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Book chapters on the topic "Nucleation mechanism"

1

Cubillas, Pablo, and Michael W. Anderson. "Synthesis Mechanism: Crystal Growth and Nucleation." In Zeolites and Catalysis, 1–55. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2010. http://dx.doi.org/10.1002/9783527630295.ch1.

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Beard, Kenneth V., Roscoe R. Braham, and Dennis Lamb. "The role of contact nucleation scavenging in the coalescence-freezing mechanism." In Atmospheric Aerosols and Nucleation, 669. Berlin, Heidelberg: Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/3-540-50108-8_1154.

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Nakajima, Hideo, and Hideo Nakajima. "Nucleation and Growth Mechanism of Pores in Metals." In Porous Metals with Directional Pores, 65–82. Tokyo: Springer Japan, 2013. http://dx.doi.org/10.1007/978-4-431-54017-5_4.

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Kim, Sungho, H. El Kadiri, and M. F. Horstemeyer. "Nucleation Mechanism for Shuffling Dominated Twinning in Magnesium." In Magnesium Technology 2011, 285–87. Cham: Springer International Publishing, 2011. http://dx.doi.org/10.1007/978-3-319-48223-1_54.

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Kim, Sungho, H. El Kadiri, and M. F. Horstemeyer. "Nucleation Mechanism for Shuffling Dominated Twinning in Magnesium." In Magnesium Technology 2011, 285–87. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2011. http://dx.doi.org/10.1002/9781118062029.ch54.

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Yang, Z. G., C. Zhang, and T. Pan. "The Mechanism of Intragranular Ferrite Nucleation on Inclusion in Steel." In Materials Science Forum, 113–16. Stafa: Trans Tech Publications Ltd., 2005. http://dx.doi.org/10.4028/0-87849-960-1.113.

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Tang, Dai-Ming. "Studying Nucleation Mechanism of Carbon Nanotubes by Using In Situ TEM." In In Situ Transmission Electron Microscopy Studies of Carbon Nanotube Nucleation Mechanism and Carbon Nanotube-Clamped Metal Atomic Chains, 37–54. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-37259-9_3.

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Wang, X., E. Brünger, and G. Gottstein. "Investigation of the Nucleation Mechanism of Dynamic Recrystallization in Alloy 800H." In Intermetallics and Superalloys, 58–63. Weinheim, FRG: Wiley-VCH Verlag GmbH & Co. KGaA, 2006. http://dx.doi.org/10.1002/3527607285.ch10.

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Yasuoka, Kenji, and Mitsuhiro Matsumoto. "Molecular Mechanism of Homogeneous Nucleation in Vapor Phase: Lennard-Jones Fluid." In Astrophysics and Space Science Library, 303–7. Dordrecht: Springer Netherlands, 2001. http://dx.doi.org/10.1007/978-94-010-0864-8_40.

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Zhang, K., Z. F. Song, Y. Yan, and Q. M. Chen. "Colloidal Silica Particles with Bimodal Final Size Distribution: Ion-Induced Nucleation Mechanism." In Solid State Phenomena, 105–8. Stafa: Trans Tech Publications Ltd., 2007. http://dx.doi.org/10.4028/3-908451-30-2.105.

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Conference papers on the topic "Nucleation mechanism"

1

Krauss, W., H. Gleiter, and S. K. Pabi. "On the Mechanism of Martensite Nucleation." In ESOMAT 1989 - Ist European Symposium on Martensitic Transformations in Science and Technology. Les Ulis, France: EDP Sciences, 1989. http://dx.doi.org/10.1051/esomat/198902001.

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Ara, N., K. Yase, and A. Kawazu. "Nucleation mechanism of TTF-TCNQ on alkali halides." In International Conference on Science and Technology of Synthetic Metals. IEEE, 1994. http://dx.doi.org/10.1109/stsm.1994.835464.

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Pérez-Garćia, M. Ángeles. "Dark mechanism for nucleation inside old neutron stars." In Proceedings of the MG15 Meeting on General Relativity. WORLD SCIENTIFIC, 2022. http://dx.doi.org/10.1142/9789811258251_0276.

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Chandra, A., Y. Huang, Z. Q. Jiang, and K. X. Hu. "A Model of Crack Nucleation in Layered Electronic Assemblies Under Thermal Cycling." In ASME 1999 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 1999. http://dx.doi.org/10.1115/imece1999-0926.

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Abstract A model for crack nucleation in layered electronic assemblies under thermal cycling is developed in this paper. The present model includes three scales: (i) at the microscale or the mechanism level, the damage mechanisms such as diffusive void growth or fatigue cracks, determine the damage growth rate; (2) at an intermediate mesoscale, the localized damage bands are modeled as variable stiffness springs connecting undamaged materials; and (iii) at the macroscale or the continuum level, the localized damage band growing in an otherwise undamaged material is modeled as an array of dislocations. The three scales are then combined together to incorporate damage mechanisms into continuum analysis. Traditional fracture mechanics provides a crack propagation model based on pre-existing cracks. The present work provides an approach for predicting crack nucleation. The proposed model is then utilized to investigate crack nucleations in three-layered electronic assemblies under thermal cycling. The damage is observed to accumulate rapidly in the weakest regions of the band. Estimates are obtained for critical time or critical number of cycles at which a macroscopic crack will nucleate in these assemblies under thermal cycling. This critical number of cycles is found to be insensitive to the size of the damage cluster, but decreases rapidly as the local excess damage increases.
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Dhanorkar, Savita. "Asymmetric charging of the aerosols including the coagulation mechanism." In The 15th international conference on nucleation and atmospheric aerosols. AIP, 2000. http://dx.doi.org/10.1063/1.1361920.

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Liu, De'an, Ya'nan Zhi, Zhu Luan, Aimin Yan, and Liren Liu. "Mechanism of light-induced domain nucleation in LiNbO 3 crystals." In Optical Engineering + Applications, edited by Ruyan Guo, Shizhuo S. Yin, and Francis T. S. Yu. SPIE, 2007. http://dx.doi.org/10.1117/12.738713.

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Rotkin, Slava V. "Zipping of graphene edge as a mechanism for NT nucleation." In ELECTRONIC PROPERTIES OF MOLECULAR NANOSTRUCTURES: XV International Winterschool/Euroconference. AIP, 2001. http://dx.doi.org/10.1063/1.1426909.

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Caymax, M., S. E. Kazzi, and C. Huyghebaert. "MOCVD growth of 2D WS2 on SiO2: nucleation mechanism and kinetics." In 2019 International Conference on Solid State Devices and Materials. The Japan Society of Applied Physics, 2019. http://dx.doi.org/10.7567/ssdm.2019.d-1-03.

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Kuznetsov, V. V., and A. S. Shamirzaev. "Flow Boiling Heat Transfer Mechanism in Minichannels." In ASME 2007 5th International Conference on Nanochannels, Microchannels, and Minichannels. ASMEDC, 2007. http://dx.doi.org/10.1115/icnmm2007-30210.

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The present study is aimed at consideration of forced boiling heat transfer in a channel whose width is comparable and less than the capillary constant. When boiling occurs inside very small and non-circular passages the constrain phenomena become important in determining the aspects of flow phenomena such as the flow pattern and microscale heat transfer. We consider the experimental data on flow patterns and boiling heat transfer for two refrigerants (R318C and R21), which were obtained for rectangular and annular channels in a range of flow rates from 50 kg/m2s up to 900 kg/m2s and heat fluxes density of up to 90 kW/m2. The temperature variation over the channel perimeter and in time was measured for the rectangular channel also. Different heat transfer mechanisms were revealed depending of flow patterns. We observed dominant nucleation boiling and the joint mode of nucleation boiling and convective evaporation. We have also found the mode when evaporation of thin liquid films makes the main contribution to heat transfer. The modified model of Liu and Winterton and Kandlikar model describe well the experimental data for the flow patterns when nucleation boiling and convective heat transfer make the most contribution to heat transfer. The approach to predict the suppression of flow boiling in the annular flow is proposed based on comparison of the turbulent boundary layer thickness and cavity radius based on the tangency criterion for boiling incipience.
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Semenikhin, A. S., A. S. Savchenkova, I. V. Chechet, S. G. Matveev, M. Frenklach, and A. M. Mebel. "BRIDGING NUCLEATION REACTIONS BETWEEN ACENAPHTHYLENE AND NAPHTHALENE: A THEORETICAL STUDY." In 9TH INTERNATIONAL SYMPOSIUM ON NONEQUILIBRIUM PROCESSES, PLASMA, COMBUSTION, AND ATMOSPHERIC PHENOMENA. TORUS PRESS, 2020. http://dx.doi.org/10.30826/nepcap9a-09.

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The formation of soot during combustion of hydrocarbon fuels is a rather complex process and one of its stages is nucleation. In recent years, the physical mechanism that takes into account the appearance of the initial soot nuclei has been increasingly studied. The main ideas and disadvantages of this mechanism were recently considered by M. Frenklach and A. Mebel, who also proposed a new chemical nucleation mechanism for pyrene dimerization.
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Reports on the topic "Nucleation mechanism"

1

Abeyaratne, Rohan. Void Nucleation in Nonlinear Solid Mechanics. Fort Belvoir, VA: Defense Technical Information Center, January 1990. http://dx.doi.org/10.21236/ada228890.

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Kiv, Dr A. E., T. I. Maximova, and V. N. Soloviev. MICROSCOPIC MECHANISMS OF NUCLEATLON AND DIFFUSION IN QUENCHED Al-Si ALLOYS. [б. в.], August 2002. http://dx.doi.org/10.31812/0564/1242.

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Teich-McGoldrick, Stephanie, David Blaine Hart, Margaret Ellen Gordon, Stephen P. Meserole, Mark A. Rodriguez, Konrad Thurmer, Randall Timothy Cygan, et al. Methane Hydrate Formation on Clay Mineral Surfaces: Thermodynamic Stability and Heterogeneous Nucleation Mechanisms. Office of Scientific and Technical Information (OSTI), September 2015. http://dx.doi.org/10.2172/1504846.

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