WorldWideScience

Sample records for surface critical nucleation

  1. Impact of surface nanostructure on ice nucleation.

    Science.gov (United States)

    Zhang, Xiang-Xiong; Chen, Min; Fu, Ming

    2014-09-28

    Nucleation of water on solid surface can be promoted noticeably when the lattice parameter of a surface matches well with the ice structure. However, the characteristic length of the surface lattice reported is generally less than 0.5 nm and is hardly tunable. In this paper, we show that a surface with nanoscale roughness can also remarkably promote ice nucleation if the characteristic length of the surface structure matches well with the ice crystal. A series of surfaces composed of periodic grooves with same depth but different widths are constructed in molecular dynamics simulations. Water cylinders are placed on the constructed surfaces and frozen at constant undercooling. The nucleation rates of the water cylinders are calculated in the simulation using the mean first-passage time method and then used to measure the nucleation promotion ability of the surfaces. Results suggest that the nucleation behavior of the supercooled water is significantly sensitive to the width of the groove. When the width of the groove matches well with the specific lengths of the ice crystal structure, the nucleation can be promoted remarkably. If the width does not match with the ice crystal, this kind of promotion disappears and the nucleation rate is even smaller than that on the smooth surface. Simulations also indicate that even when water molecules are adsorbed onto the surface structure in high-humidity environment, the solid surface can provide promising anti-icing ability as long as the characteristic length of the surface structure is carefully designed to avoid geometric match.

  2. Heterogeneous nucleation of calcium oxalate on native oxide surfaces

    International Nuclear Information System (INIS)

    Song, L.; Pattillo, M.J.; Graff, G.L.; Campbell, A.A.; Bunker, B.C.

    1994-04-01

    The aqueous deposition of calcium oxalate onto colloidal oxides has been studied as a model system for understanding heterogeneous nucleation processes of importance in biomimetic synthesis of ceramic thin films. Calcium oxalate nucleation has been monitored by measuring induction times for nucleation using Constant Composition techniques and by measuring nucleation densities on extended oxide surfaces using an atomic force microscope. Results show that the dependence of calcium oxalate nucleation on solution supersaturation fits the functional form predicted by classical nucleation theories. Anionic surfaces appear to promote nucleation better than cationic surfaces, lowering the effective energy barrier to heterogeneous nucleation

  3. A nucleation theory of cell surface capping

    International Nuclear Information System (INIS)

    Coutsias, E.A.; Wester, M.J.; Perelson, A.S.

    1997-01-01

    We propose a new theory of cell surface capping based on the principles of nucleation. When antibody interacts with cell surface molecules, the molecules initially form small aggregates called patches that later coalesce into a large aggregate called a cap. While a cap can form by patches being pulled together by action of the cell''s cytoskeleton, in the case of some molecules, disruption of the cytoskeleton does not prevent cap formation. Diffusion of large aggregates on a cell surface is slow, and thus we propose that a cap can form solely through the diffusion of small aggregates containing just one or a few cell surface molecules. Here we consider the extreme case in which single molecules are mobile, but aggregates of all larger sizes are immobile. We show that a set of patches in equilibrium with a open-quotes seaclose quotes of free cell surface molecules can undergo a nucleation-type phase transition in which the largest patch will bind free cell surface molecules, deplete the concentration of such molecules in the open-quotes seaclose quotes and thus cause the other patches to shrink in size. We therefore show that a cap can form without patches having to move, collide with each other, and aggregate

  4. What experiments on pinned nanobubbles can tell about the critical nucleus for bubble nucleation.

    Science.gov (United States)

    Xiao, Qianxiang; Liu, Yawei; Guo, Zhenjiang; Liu, Zhiping; Frenkel, Daan; Dobnikar, Jure; Zhang, Xianren

    2017-12-22

    The process of homogeneous bubble nucleation is almost impossible to probe experimentally, except near the critical point or for liquids under large negative tension. Elsewhere in the phase diagram, the bubble nucleation barrier is so high as to be effectively insurmountable. Consequently, there is a severe lack of experimental studies of homogenous bubble nucleation under conditions of practical importance (e.g., cavitation). Here we use a simple geometric relation to show that we can obtain information about the homogeneous nucleation process from Molecular Dynamics studies of bubble formation in solvophobic nanopores on a solid surface. The free energy of pinned nanobubbles has two extrema as a function of volume: one state corresponds to a free-energy maximum ("the critical nucleus"), the other corresponds to a free-energy minimum (the metastable, pinned nanobubble). Provided that the surface tension does not depend on nanobubble curvature, the radius of the curvature of the metastable surface nanobubble is independent of the radius of the pore and is equal to the radius of the critical nucleus in homogenous bubble nucleation. This observation opens the way to probe the parameters that determine homogeneous bubble nucleation under experimentally accessible conditions, e.g. with AFM studies of metastable nanobubbles. Our theoretical analysis also indicates that a surface with pores of different sizes can be used to determine the curvature corrections to the surface tension. Our conclusions are not limited to bubble nucleation but suggest that a similar approach could be used to probe the structure of critical nuclei in crystal nucleation.

  5. Interactions between bubble formation and heating surface in nucleate boiling

    International Nuclear Information System (INIS)

    Luke, Andrea

    2009-01-01

    The heat transfer and bubble formation is investigated in pool boiling of propane. Size distributions of active nucleation sites on single horizontal copper and steel tubes with different diameter and surface finishes have been calculated from heat transfer measurements over wide ranges of heat flux and selected pressure. The model assumptions of Luke and Gorenflo for the heat transfer near growing and departing bubbles, which were applied in the calculations, have been slightly modified and the calculated results have been compared to experimental investigations by high speed video techniques. The calculated number of active sites shows a good coincidence for the tube with smaller diameter, while the results for the tube with larger diameter describe the same relative increase of the active sites. The comparison of the cumulative size distribution of the active and potential nucleation sites demonstrates the same slope of the curve and that the critical radius of a stable bubble nuclei is smaller than the average cavity size. (author)

  6. Interactions between bubble formation and heating surface in nucleate boiling

    Energy Technology Data Exchange (ETDEWEB)

    Luke, Andrea [Leibniz University, Hannover (Denmark). Inst. of Thermodynamics], e-mail: ift@ift.uni-hannover.de

    2009-07-01

    The heat transfer and bubble formation is investigated in pool boiling of propane. Size distributions of active nucleation sites on single horizontal copper and steel tubes with different diameter and surface finishes have been calculated from heat transfer measurements over wide ranges of heat flux and selected pressure. The model assumptions of Luke and Gorenflo for the heat transfer near growing and departing bubbles, which were applied in the calculations, have been slightly modified and the calculated results have been compared to experimental investigations by high speed video techniques. The calculated number of active sites shows a good coincidence for the tube with smaller diameter, while the results for the tube with larger diameter describe the same relative increase of the active sites. The comparison of the cumulative size distribution of the active and potential nucleation sites demonstrates the same slope of the curve and that the critical radius of a stable bubble nuclei is smaller than the average cavity size. (author)

  7. Critical Nuclei Size, Rate, and Activation Energy of H2 Gas Nucleation.

    Science.gov (United States)

    German, Sean R; Edwards, Martin A; Ren, Hang; White, Henry S

    2018-03-21

    Electrochemical measurements of the nucleation rate of individual H 2 bubbles at the surface of Pt nanoelectrodes (radius = 7-41 nm) are used to determine the critical size and geometry of H 2 nuclei leading to stable bubbles. Precise knowledge of the H 2 concentration at the electrode surface, C H 2 surf , is obtained by controlled current reduction of H + in a H 2 SO 4 solution. Induction times of single-bubble nucleation events are measured by stepping the current, to control C H 2 surf , while monitoring the voltage. We find that gas nucleation follows a first-order rate process; a bubble spontaneously nucleates after a stochastic time delay, as indicated by a sudden voltage spike that results from impeded transport of H + to the electrode. Hundreds of individual induction times, at different applied currents and using different Pt nanoelectrodes, are used to characterize the kinetics of phase nucleation. The rate of bubble nucleation increases by four orders of magnitude (0.3-2000 s -1 ) over a very small relative change in C H 2 surf (0.21-0.26 M, corresponding to a ∼0.025 V increase in driving force). Classical nucleation theory yields thermodynamic radii of curvature for critical nuclei of 4.4 to 5.3 nm, corresponding to internal pressures of 330 to 270 atm, and activation energies for nuclei formation of 14 to 26 kT, respectively. The dependence of nucleation rate on H 2 concentration indicates that nucleation occurs by a heterogeneous mechanism, where the nuclei have a contact angle of ∼150° with the electrode surface and contain between 35 and 55 H 2 molecules.

  8. Dynamics of ice nucleation on water repellent surfaces.

    Science.gov (United States)

    Alizadeh, Azar; Yamada, Masako; Li, Ri; Shang, Wen; Otta, Shourya; Zhong, Sheng; Ge, Liehui; Dhinojwala, Ali; Conway, Ken R; Bahadur, Vaibhav; Vinciquerra, A Joseph; Stephens, Brian; Blohm, Margaret L

    2012-02-14

    Prevention of ice accretion and adhesion on surfaces is relevant to many applications, leading to improved operation safety, increased energy efficiency, and cost reduction. Development of passive nonicing coatings is highly desirable, since current antiicing strategies are energy and cost intensive. Superhydrophobicity has been proposed as a lead passive nonicing strategy, yet the exact mechanism of delayed icing on these surfaces is not clearly understood. In this work, we present an in-depth analysis of ice formation dynamics upon water droplet impact on surfaces with different wettabilities. We experimentally demonstrate that ice nucleation under low-humidity conditions can be delayed through control of surface chemistry and texture. Combining infrared (IR) thermometry and high-speed photography, we observe that the reduction of water-surface contact area on superhydrophobic surfaces plays a dual role in delaying nucleation: first by reducing heat transfer and second by reducing the probability of heterogeneous nucleation at the water-substrate interface. This work also includes an analysis (based on classical nucleation theory) to estimate various homogeneous and heterogeneous nucleation rates in icing situations. The key finding is that ice nucleation delay on superhydrophobic surfaces is more prominent at moderate degrees of supercooling, while closer to the homogeneous nucleation temperature, bulk and air-water interface nucleation effects become equally important. The study presented here offers a comprehensive perspective on the efficacy of textured surfaces for nonicing applications.

  9. Determination of critical nucleation number for a single nucleation amyloid-β aggregation model.

    Science.gov (United States)

    Ghosh, Preetam; Vaidya, Ashwin; Kumar, Amit; Rangachari, Vijayaraghavan

    2016-03-01

    Aggregates of amyloid-β (Aβ) peptide are known to be the key pathological agents in Alzheimer disease (AD). Aβ aggregates to form large, insoluble fibrils that deposit as senile plaques in AD brains. The process of aggregation is nucleation-dependent in which the formation of a nucleus is the rate-limiting step, and controls the physiochemical fate of the aggregates formed. Therefore, understanding the properties of nucleus and pre-nucleation events will be significant in reducing the existing knowledge-gap in AD pathogenesis. In this report, we have determined the plausible range of critical nucleation number (n(*)), the number of monomers associated within the nucleus for a homogenous aggregation model with single unique nucleation event, by two independent methods: A reduced-order stability analysis and ordinary differential equation based numerical analysis, supported by experimental biophysics. The results establish that the most likely range of n(*) is between 7 and 14 and within, this range, n(*) = 12 closely supports the experimental data. These numbers are in agreement with those previously reported, and importantly, the report establishes a new modeling framework using two independent approaches towards a convergent solution in modeling complex aggregation reactions. Our model also suggests that the formation of large protofibrils is dependent on the nature of n(*), further supporting the idea that pre-nucleation events are significant in controlling the fate of larger aggregates formed. This report has re-opened an old problem with a new perspective and holds promise towards revealing the molecular events in amyloid pathologies in the future. Copyright © 2015 Elsevier Inc. All rights reserved.

  10. Effect of strain on surface diffusion and nucleation

    DEFF Research Database (Denmark)

    Brune, Harald; Bromann, Karsten; Röder, Holger

    1995-01-01

    The influence of strain on diffusion and nucleation has been studied by means of scanning tunneling microscopy and effective-medium theory for Ag self-diffusion on strained and unstrained (111) surfaces. Experimentally, the diffusion barrier is observed to be substantially lower on a pseudomorphic...... effect on surface diffusion and nucleation in heteroepitaxy and are thus of significance for the film morphology in the kinetic growth regime....

  11. Engineering Surfaces for Enhanced Nucleation and Droplet Removal During Dropwise Condensation

    Science.gov (United States)

    Dutta, Sanmitra; Khan, Sameera; Anand, Sushant

    2017-11-01

    Condensation plays critical role in numerous industrial applications, such as condensers, HVAC,etc In the most applications, fast formation (i.e. high nucleation) and subsequent removal of water droplets is critical for enhancing the efficiencies of their associated systems. Significant focus has been placed on the aspect of droplet removal from surfaces. This has led to, development of superhydrophobic surfaces with special textures on which droplets are self-removed after coalescence. However,because of their inherent low surface energy, nucleation energy barriers are also high on such surfaces. In contrast to conventional superhydrophobic surfaces, here we show that surfaces can be engineered such that the simultaneous benefits of high nucleation rates and fast droplet removal can be obtained during the condensation process.These benefits are obtained by impregnating a superhydrophobic surface with an oil that despite its defect-free interface provides low nucleation energy barrier during condensation. At the same time, the oil facilitates high droplet shedding rates by providing a lubricating layer below the droplets due to which droplets have negligible contact angle hysteresis. We provide a guide to choose oils that lead to enhanced nucleation, and provide experimental evidence supporting the proposed guide. We discuss the importance of different oil properties in affecting the droplet growth and subsequent removal of water droplets.

  12. Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states.

    Science.gov (United States)

    Metya, Atanu K; Singh, Jayant K; Müller-Plathe, Florian

    2016-09-29

    In this work, we address the nucleation behavior of a supercooled monatomic cylindrical water droplet on nanoscale textured surfaces using molecular dynamics simulations. The ice nucleation rate at 203 K on graphite based textured surfaces with nanoscale roughness is evaluated using the mean fast-passage time method. The simulation results show that the nucleation rate depends on the surface fraction as well as the wetting states. The nucleation rate enhances with increasing surface fraction for water in the Cassie-Baxter state, while contrary behavior is observed for the case of Wenzel state. Based on the spatial histogram distribution of ice formation, we observed two pathways for ice nucleation. Heterogeneous nucleation is observed at a high surface fraction. However, the probability of homogeneous ice nucleation events increases with decreasing surface fraction. We further investigate the role of the nanopillar height in ice nucleation. The nucleation rate is enhanced with increasing nanopillar height. This is attributed to the enhanced contact area with increasing nanopillar height and the shift in nucleation events towards the three-phase contact line associated with the nanotextured surface. The ice-surface work of adhesion for the Wenzel state is found to be 1-2 times higher than that in the Cassie-Baxter state. Furthermore, the work of adhesion of ice in the Wenzel state is found to be linearly dependent on the contour length of the droplet, which is in line with that reported for liquid droplets.

  13. Nucleation, growth and transport modelling of helium bubbles under nuclear irradiation in lead–lithium with the self-consistent nucleation theory and surface tension corrections

    International Nuclear Information System (INIS)

    Fradera, J.; Cuesta-López, S.

    2013-01-01

    Highlights: • The work presented in this manuscript provides a reliable computational tool to quantify the He complex phenomena in a HCLL. • A model based on the self-consistent nucleation theory (SCT) is exposed. It includes radiation induced nucleation modelling and surface tension corrections. • Results informed reinforce the necessity of conducting experiments to determine nucleation conditions and bubble transport parameters in LM breeders. • Our findings and model provide a good qualitative insight into the helium nucleation phenomenon in LM systems for fusion technology and can be used to identify key system parameters. -- Abstract: Helium (He) nucleation in liquid metal breeding blankets of a DT fusion reactor may have a significant impact regarding system design, safety and operation. Large He production rates are expected due to tritium (T) fuel self-sufficiency requirement, as both, He and T, are produced at the same rate. Low He solubility, local high concentrations, radiation damage and fluid discontinuities, among other phenomena, may yield the necessary conditions for He nucleation. Hence, He nucleation may have a significant impact on T inventory and may lower the T breeding ratio. A model based on the self-consistent nucleation theory (SCT) with a surface tension curvature correction model has been implemented in OpenFOAM ® CFD code. A modification through a single parameter of the necessary nucleation condition is proposed in order to take into account all the nucleation triggering phenomena, specially radiation induced nucleation. Moreover, the kinetic growth model has been adapted so as to allow for the transition from a critical cluster to a macroscopic bubble with a diffusion growth process. Limitations and capabilities of the models are shown by means of zero-dimensional simulations and sensitivity analyses to key parameters under HCLL breeding unit conditions. Results provide a good qualitative insight into the helium nucleation

  14. Nucleation, growth and transport modelling of helium bubbles under nuclear irradiation in lead–lithium with the self-consistent nucleation theory and surface tension corrections

    Energy Technology Data Exchange (ETDEWEB)

    Fradera, J., E-mail: jfradera@ubu.es; Cuesta-López, S., E-mail: scuesta@ubu.es

    2013-12-15

    Highlights: • The work presented in this manuscript provides a reliable computational tool to quantify the He complex phenomena in a HCLL. • A model based on the self-consistent nucleation theory (SCT) is exposed. It includes radiation induced nucleation modelling and surface tension corrections. • Results informed reinforce the necessity of conducting experiments to determine nucleation conditions and bubble transport parameters in LM breeders. • Our findings and model provide a good qualitative insight into the helium nucleation phenomenon in LM systems for fusion technology and can be used to identify key system parameters. -- Abstract: Helium (He) nucleation in liquid metal breeding blankets of a DT fusion reactor may have a significant impact regarding system design, safety and operation. Large He production rates are expected due to tritium (T) fuel self-sufficiency requirement, as both, He and T, are produced at the same rate. Low He solubility, local high concentrations, radiation damage and fluid discontinuities, among other phenomena, may yield the necessary conditions for He nucleation. Hence, He nucleation may have a significant impact on T inventory and may lower the T breeding ratio. A model based on the self-consistent nucleation theory (SCT) with a surface tension curvature correction model has been implemented in OpenFOAM{sup ®} CFD code. A modification through a single parameter of the necessary nucleation condition is proposed in order to take into account all the nucleation triggering phenomena, specially radiation induced nucleation. Moreover, the kinetic growth model has been adapted so as to allow for the transition from a critical cluster to a macroscopic bubble with a diffusion growth process. Limitations and capabilities of the models are shown by means of zero-dimensional simulations and sensitivity analyses to key parameters under HCLL breeding unit conditions. Results provide a good qualitative insight into the helium

  15. Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface.

    Science.gov (United States)

    He, Xiaoxia; Shen, Yan; Hung, Francisco R; Santiso, Erik E

    2016-12-07

    Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim + ][Cl - ] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ∼85 kcal/mol to form a critical nucleus of size ∼3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (∼49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (∼3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (∼4.8 × 10 11 cm -3 s -1 ) is about one order of magnitude faster than the homogeneous rate (∼6.6 × 10 10 cm -3 s -1 ). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide

  16. Crystal Nucleation Using Surface-Energy-Modified Glass Substrates.

    Science.gov (United States)

    Nordquist, Kyle A; Schaab, Kevin M; Sha, Jierui; Bond, Andrew H

    2017-08-02

    Systematic surface energy modifications to glass substrates can induce nucleation and improve crystallization outcomes for small molecule active pharmaceutical ingredients (APIs) and proteins. A comparatively broad probe for function is presented in which various APIs, proteins, organic solvents, aqueous media, surface energy motifs, crystallization methods, form factors, and flat and convex surface energy modifications were examined. Replicate studies ( n ≥ 6) have demonstrated an average reduction in crystallization onset times of 52(4)% (alternatively 52 ± 4%) for acetylsalicylic acid from 91% isopropyl alcohol using two very different techniques: bulk cooling to 0 °C using flat surface energy modifications or microdomain cooling to 4 °C from the interior of a glass capillary having convex surface energy modifications that were immersed in the solution. For thaumatin and bovine pancreatic trypsin, a 32(2)% reduction in crystallization onset times was demonstrated in vapor diffusion experiments ( n ≥ 15). Nucleation site arrays have been engineered onto form factors frequently used in crystallization screening, including microscope slides, vials, and 96- and 384-well high-throughput screening plates. Nucleation using surface energy modifications on the vessels that contain the solutes to be crystallized adds a layer of useful variables to crystallization studies without requiring significant changes to workflows or instrumentation.

  17. The dynamics of nucleation and growth of a particle in the ternary alloy melt with anisotropic surface tension.

    Science.gov (United States)

    Chen, Ming-Wen; Li, Lin-Yan; Guo, Hui-Min

    2017-08-28

    The dynamics of nucleation and growth of a particle affected by anisotropic surface tension in the ternary alloy melt is studied. The uniformly valid asymptotic solution for temperature field, concentration field, and interface evolution of nucleation and particle growth is obtained by means of the multiple variable expansion method. The asymptotic solution reveals the critical radius of nucleation in the ternary alloy melt and an inward melting mechanism of the particle induced by the anisotropic effect of surface tension. The critical radius of nucleation is dependent on isotropic surface tension, temperature undercooling, and constitutional undercooling in the ternary alloy melt, and the solute diffusion melt decreases the critical radius of nucleation. Immediately after a nucleus forms in the initial stage of solidification, the anisotropic effect of surface tension makes some parts of its interface grow inward while some parts grow outward. Until the inward melting attains a certain distance (which is defined as "the melting depth"), these parts of interface start to grow outward with other parts. The interface of the particle evolves into an ear-like deformation, whose inner diameter may be less than two times the critical radius of nucleation within a short time in the initial stage of solidification. The solute diffusion in the ternary alloy melt decreases the effect of anisotropic surface tension on the interface deformation.

  18. Percolation and nucleation approaches to nuclear fragmentation: criticality in very small systems

    Energy Technology Data Exchange (ETDEWEB)

    Santiago, A.J. [Universidade do Estado, Rio de Janeiro, RJ (Brazil). Inst. de Fisica; Chung, K.C.

    1994-12-01

    Different criteria for criticality in very small systems are discussed in the context of percolation and nucleation approaches to nuclear fragmentation. It is shown that the probability threshold in percolation and interaction radius threshold in nucleation are very strongly dependent upon the adopted criterion. By using Monte Carlo method, similarities and dissimilarities between nucleation and percolation pictures are also pointed out. (author). 17 refs, 5 figs, 2 tabs.

  19. Percolation and nucleation approaches to nuclear fragmentation: criticality in very small systems

    International Nuclear Information System (INIS)

    Santiago, A.J.; Chung, K.C.

    1994-12-01

    Different criteria for criticality in very small systems are discussed in the context of percolation and nucleation approaches to nuclear fragmentation. It is shown that the probability threshold in percolation and interaction radius threshold in nucleation are very strongly dependent upon the adopted criterion. By using Monte Carlo method, similarities and dissimilarities between nucleation and percolation pictures are also pointed out. (author). 17 refs, 5 figs, 2 tabs

  20. Experimental investigation of nucleate boiling on heated surfaces under subcooled conditions

    International Nuclear Information System (INIS)

    Schneider, C.; Hampel, R.; Traichel, A.; Hurtado, A.; Meissner, S.; Koch, E.

    2011-01-01

    In case of an accident at pressurized water reactors (PWR), critical boiling conditions can appear at the transition from bubble- to film boiling. During full power operation, heat transfer phenomena of sub cooled nucleate boiling occur on the surface of the fuel rods. To investigate the microscopic processes in nucleate boiling, a test facility with optical measuring methods was constructed. This allows analyzing the effects on a single bubble system at different parameters. For the generation of nucleate boiling, an optically transparent, electrically conductive coating was applied as a heating surface on a borosilicate substrate. The so-called ITO (Indium-Tin-Oxide) coating with a sheet resistance of 20 ohms enables an electrical heating at an optical transparent surface. These properties are prerequisites for the study of microscopic phenomena in the bubble formation with optical coherence tomography (OCT). OCT, generally used in medical diagnostics, is an imaging modality providing cross sectional and volumetric high resolution images. To make sure that the bubble formation takes place at a specific site, artificial nucleation sites in form of micro cavity will be inserted into the surface. Furthermore a small test facility was constructed to dedicate the wall temperature of a heated metal foil during subcooled boiling in non degassed water, which is the content of this paper. (author)

  1. Nucleation on a stepped surface with an Ehrlich–Schwöbel barrier

    International Nuclear Information System (INIS)

    Chromcova, Z; Chvoj, Z; Tringides, M C

    2013-01-01

    During deposition on a stepped surface the growth mode depends on the conditions such as temperature T, deposition rate F and width of the terraces w. In this work we studied the influence of all the above mentioned characteristics using the kinetic Monte Carlo (kMC) technique. We concentrated on the conditions on the terrace at the moment of the first nucleation. The critical density of monomers for nucleation η m decreases with the width of the terrace and the nucleation starts at surprisingly low densities of monomers. We tested several definitions of the critical width for nucleation w c used in various articles in the past and we compared our results with results of the analytical steady-state mean-field model (Ranguelov and Altman 2007 Phys. Rev. B 75 245419). To check how the simplified assumption about the steady-state regime during deposition influences the resulting dependence of w c ≃ (D/F) κ , we set and also solved a time-dependent analytical model. This analytical model as well as kMC predict that w c ≃ (D/F) 1/5 . kMC simulation also shows that the Ehrlich–Schwöbel barrier has only limited influence on the nucleation on the stepped surface at conditions close to the nucleation regime. For all widths of terraces there is a critical value of the Ehrlich–Schwöbel barrier, and only below this critical value does the Ehrlich–Schwöbel barrier affect the final value of the density of nuclei. The results of the kMC are summarized in a semi-empirical analytical formula which describes the dependence of the step-flow growth and nucleation on the terrace width w, diffusion coefficient D and deposition rate F. In our simulations we tested two models of the stepped surface with different thicknesses of the step, both with an Ehrlich–Schwöbel barrier on the edge of the terrace. (paper)

  2. Nucleation of ripplocations through atomistic modeling of surface nanoindentation in graphite

    Science.gov (United States)

    Freiberg, D.; Barsoum, M. W.; Tucker, G. J.

    2018-05-01

    In this work, we study the nucleation and subsequent evolution behavior of ripplocations - a newly proposed strain accommodating defect in layered materials where one, or more, layers buckle orthogonally to the layers - using atomistic modeling of graphite. To that effect, we model the response to cylindrical indenters with radii R of 50, 100, and 250 nm, loaded edge-on into graphite layers and the strain gradient effects beneath the indenter are quantified. We show that the response is initially elastic followed by ripplocation nucleation, and growth of multiple fully reversible ripplocation boundaries below the indenter. In the elastic region, the stress is found to be a function of indentation volume; beyond the elastic regime, the interlayer strain gradient emerges as paramount in the onset of ripplocation nucleation and subsequent in-plane stress relaxation. Furthermore, ripplocation boundaries that nucleate from the alignment of ripplocations on adjacent layers are exceedingly nonlocal and propagate, wavelike, away from the indented surface. This work not only provides a critical understanding of the mechanistic underpinnings of the deformation of layered solids and formation of kink boundaries, but also provides a more complete description of the nucleation mechanics of ripplocations and their strain field dependence.

  3. Surface wettability and subcooling on nucleate pool boiling heat transfer

    Science.gov (United States)

    Suroto, Bambang Joko; Kohno, Masamichi; Takata, Yasuyuki

    2018-02-01

    The effect of varying surface wettabilities and subcooling on nucleate pool boiling heat transfer at intermediate heat flux has been examined and investigated. The experiments were performed using pure water as the working fluid and subcooling ranging from 0, 5 and 10 K, respectively. The three types of heat transfer block were used that are bare surface/hydrophilic (polished copper), superhydrophilic/TiO2-coated on copper and hydrophobic/PTFE surface. The experimental results will be examined by the existing model. The results show that the heat transfer performance of surfaces with PTFE coating is better at low heat flux. While for an intermediate heat flux, superhydrophilic surface (TiO2) is superior compared to hydrophilic and hydrophobic surfaces. It is observed that the heat transfer performance is decreasing when the sub cooling degree is increased.

  4. The Ice Nucleation Activity of Surface Modified Soot

    Science.gov (United States)

    Häusler, Thomas; Witek, Lorenz; Felgitsch, Laura; Hitzenberger, Regina; Grothe, Hinrich

    2017-04-01

    The ice nucleation efficiency of many important atmospheric particles remains poorly understood. Since soot is ubiquitous in the Earth's troposphere, they might have the potential to significantly impact the Earth's climate (Finlayson-Pitts and Pitts, 2000; Seinfeld and Pandis, 1998). Here we present the ice nucleation activity (INA) in immersion freezing mode of different types of soot. Therefor a CAST (combustion aerosol standard) generator was used to produce different kinds of soot samples. The CAST generator combusts a propane-air-mixture and deposits thereby produced soot on a polyvinyl fluoride filter. By varying the propane to air ratio, the amount of organic portion of the soot can be varied from black carbon (BC) with no organic content to brown carbon (BrC) with high organic content. To investigate the impact of functional sites of ice nuclei (IN), the soot samples were exposed to NO2 gas for a certain amount of time (30 to 360 minutes) to chemically modify the surface. Immersion freezing experiments were carried out in a unique reaction gadget. In this device a water-in-oil suspension (with the soot suspended in the aqueous phase) was cooled till the freezing point and was observed through a microscope (Pummer et al., 2012; Zolles et al., 2015) It was found that neither modified nor unmodified BC shows INA. On the contrary, unmodified BrC shows an INA at -32˚ C, which can be increased up to -20˚ C. The INA of BrC depends on the duration of NO2- exposure. To clarify the characteristics of the surface modifications, surface sensitive analysis like infrared spectroscopy and X-ray photoelectron spectroscopy were carried out. Finlayson-Pitts, B. J. and Pitts, J. N. J.: Chemistry of the Upper and Lower Atmosphere, Elsevier, New York, 2000. Pummer, B. G., Bauer, H., Bernardi, J., Bleicher, S., and Grothe, H.: Suspendable macromolecules are responsible for ice nucleation activity of birch and conifer pollen, Atmos Chem Phys, 12, 2541-2550, 2012. Seinfeld, J

  5. Nucleation of 2D nanoislands in surface thermal spikes from swift heavy ions

    International Nuclear Information System (INIS)

    Volkov, Alexander E.; Sorokin, Michael V.

    2003-01-01

    Possibility of nucleation of nanoislands in the surface thermal spikes caused by swift heavy ions or intense femptosecond laser pulses is investigated. Nanoislands may occur when the characteristic nucleation time becomes shorter than that cooling down of the thermal spot. The values of system parameters favorable for the nucleation are estimated

  6. A new temperature and humidity dependent surface site density approach for deposition ice nucleation

    OpenAIRE

    I. Steinke; C. Hoose; O. Möhler; P. Connolly; T. Leisner

    2014-01-01

    Deposition nucleation experiments with Arizona Test Dust (ATD) as a surrogate for mineral dusts were conducted at the AIDA cloud chamber at temperatures between 220 and 250 K. The influence of the aerosol size distribution and the cooling rate on the ice nucleation efficiencies was investigated. Ice nucleation active surface site (INAS) densities were calculated to quantify the ice nucleation efficiency as a function of temperature, humidity and the aerosol ...

  7. Experimental investigation on the phenomena around the onset nucleate boiling during the impacting of a droplet on the hot surface

    Energy Technology Data Exchange (ETDEWEB)

    Mitrakusuma, Windy H., E-mail: windyhm@polban.ac.id [Graduate Program at Mechanical Engineering, Engineering Faculty, Gadjah Mada University, Jl. Grafika No. 2 Yogyakarta 55281 (Indonesia); Refrigeration and Airconditioning Department, Politeknik Negeri Bandung, Jl. Gegerkalong Hilir, Ds. Ciwaruga Kotak Pos 1234 Bandung (Indonesia); Deendarlianto,; Kamal, Samsul; Indarto [Mechanical and Industrial Department, Engineering Faculty, Gadjah Mada University, Jl. Grafika No. 2 Yogyakarta 55281 (Indonesia); Centre for Energy Studies, Gadjah Mada University, Sekip K-1A Kampus UGM, Yogyakarta 55281 (Indonesia); Nuriyadi, M. [Refrigeration and Airconditioning Department, Politeknik Negeri Bandung, Jl. Gegerkalong Hilir, Ds. Ciwaruga Kotak Pos 1234 Bandung (Indonesia)

    2016-06-03

    Onset of nucleate boiling of a droplet when impacted onto hot surface was investigated. Three kinds of surfaces, normal stainless steel (NSS), stainless steel with TiO{sub 2} coating (UVN), and stainless steel with TiO{sub 2} coating and radiated by ultraviolet ray were employed to examine the effect of wettability. The droplet size was 2.4 mm diameter, and dropped under different We number. The image is generated by high speed camera with the frame speed of 1000 fps. The boiling conditions are identified as natural convection, nucleate boiling, critical heat flux, transition, and film boiling. In the present report, the discussion will be focused on the beginning of nucleate boiling on the droplet. Nucleate boiling occurs when bubbles are generated. These bubbles are probably caused by nucleation on the impurities within the liquid rather than at nucleation sites on the heated surface because the bubbles appear to be in the bulk of the liquid instead of at the liquid-solid interface. In addition, the smaller the contact angle, the fastest the boiling.

  8. Steady-state subcooled nucleate boiling on a downward facing hemispherical surface

    International Nuclear Information System (INIS)

    Haddad, K.H.; Cheung, F.B.

    1996-01-01

    Steady-state nucleate boiling heat transfer experiments in saturated and subcooled water were conducted. The heating surface was a 0.305 m hemispherical aluminum vessel heated from the inside with water boiling on the outside. It was found that subcooling had very little effect on the nucleate boiling curve in the high heat flux regime where latent heat transport dominated. On the other hand, a relatively large effect of subcooling was observed in the low heat flux regime where sensible heat transport was important. Photographic records of the boiling phenomenon and the bubble dynamics indicated that in the high heat flux regime, boiling in the bottom center region of the vessel was cyclic in nature with a liquid heating phase, a bubble nucleation and growth phase, a bubble coalescence phase, and a large vapor mass ejection phase. At the same heat flux level, the size of the vapor masses was found to decrease from the bottom center toward the upper edge of the vessel, which was consistent with the observed increase in the critical heat flux in the flow direction along the curved heating surface

  9. Evaluation of surface tension and Tolman length as a function of droplet radius from experimental nucleation rate and supersaturation ratio: metal vapor homogeneous nucleation.

    Science.gov (United States)

    Onischuk, A A; Purtov, P A; Baklanov, A M; Karasev, V V; Vosel, S V

    2006-01-07

    Zinc and silver vapor homogeneous nucleations are studied experimentally at the temperature from 600 to 725 and 870 K, respectively, in a laminar flow diffusion chamber with Ar as a carrier gas at atmospheric pressure. The size, shape, and concentration of aerosol particles outcoming the diffusion chamber are analyzed by a transmission electron microscope and an automatic diffusion battery. The wall deposit is studied by a scanning electron microscope (SEM). Using SEM data the nucleation rate for both Zn and Ag is estimated as 10(10) cm(-3) s(-1). The dependence of critical supersaturation on temperature for Zn and Ag measured in this paper as well as Li, Na, Cs, Ag, Mg, and Hg measured elsewhere is analyzed. To this aim the classical nucleation theory is extended by the dependence of surface tension on the nucleus radius. The preexponent in the formula for the vapor nucleation rate is derived using the formula for the work of formation of noncritical embryo [obtained by Nishioka and Kusaka [J. Chem. Phys. 96, 5370 (1992)] and later by Debenedetti and Reiss [J. Chem. Phys. 108, 5498 (1998)

  10. Nucleation of super-critical carbon dioxide in a venturi nozzle

    Energy Technology Data Exchange (ETDEWEB)

    Jarrahbashi, D., E-mail: dorrin.jarrahbashi@me.gatech.edu; Pidaparti, S.R.; Ranjan, D.

    2016-12-15

    Highlights: • Nucleation of S-CO{sub 2} in a nozzle near critical point has been computationally studied. • The nucleation behavior is very sensitive to the inlet pressure and temperature. • After nucleation, high liquid-content two-phase mixture near wall travels downstream. - Abstract: Pressure reduction at the entrance of the compressor in supercritical CO{sub 2} Brayton cycles may cause nucleation and create a mixture of vapor and liquid droplets due to operation near the saturation conditions. Transient behavior of the flow after nucleation may cause serious issues in operation of the cycle and degrade the materials used in the design. The nucleation behavior of supercritical carbon-dioxide inside a venturi nozzle near the critical point is computationally studied. A transient compressible 3D Navier–Stokes solver, coupled with continuity, and energy equations have been implemented. In order to expedite the simulations, Fluid property Interpolation Tables (FIT) based on a piecewise biquintic spline interpolation of Helmholtz energy have been integrated with OpenFOAM to model S-CO{sub 2} properties. The mass fraction of vapor created in the venturi nozzle has been calculated using homogeneous equilibrium model (HEM). Nucleation behavior has been shown to be very sensitive to the inlet pressure, inlet temperature, and flow rate. The flow conditions that led to nucleation were identified. Nucleation was observed in the throat area and divergent section of the nozzle for mass flow rates from 0.050 kg/s to 0.065 kg/s, inlet pressure from 7.8 to 7.4 MPa for fixed exit pressure equal to 7.28 MPa. The inception of high-vapor-content nucleation was first observed in the throat area away from the side walls that remained confined to the throat region in later times. However, near the walls, a high liquid-content two-phase region was detected, first in the divergent section. At later times, the two-phase region was convected downstream toward the nozzle exit

  11. Nonlinear Dynamics and Nucleation Kinetics in Near-Critical Liquids

    Science.gov (United States)

    Patashinski, Alexander Z.; Ratner, Mark A.; Pines, Vladimir

    1996-01-01

    The objective of our study is to model the nonlinear behavior of a near-critical liquid following a rapid change of the temperature and/or other thermodynamic parameters (pressure, external electric or gravitational field). The thermodynamic critical point is manifested by large, strongly correlated fluctuations of the order parameter (particle density in liquid-gas systems, concentration in binary solutions) in the critical range of scales. The largest critical length scale is the correlation radius r(sub c). According to the scaling theory, r(sub c) increases as r(sub c) = r(sub 0)epsilon(exp -alpha) when the nondimensional distance epsilon = (T - T(sub c))/T(sub c) to the critical point decreases. The normal gravity alters the nature of correlated long-range fluctuations when one reaches epsilon approximately equal to 10(exp -5), and correspondingly the relaxation time, tau(r(sub c)), is approximately equal to 10(exp -3) seconds; this time is short when compared to the typical experimental time. Close to the critical point, a rapid, relatively small temperature change may perturb the thermodynamic equilibrium on many scales. The critical fluctuations have a hierarchical structure, and the relaxation involves many length and time scales. Above the critical point, in the one-phase region, we consider the relaxation of the liquid following a sudden temperature change that simultaneously violates the equilibrium on many scales. Below T(sub c), a non-equilibrium state may include a distribution of small scale phase droplets; we consider the relaxation of such a droplet following a temperature change that has made the phase of the matrix stable.

  12. Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water Orientations.

    Science.gov (United States)

    Glatz, Brittany; Sarupria, Sapna

    2018-01-23

    Ice is ubiquitous in nature, and heterogeneous ice nucleation is the most common pathway of ice formation. How surface properties affect the propensity to observe ice nucleation on that surface remains an open question. We present results of molecular dynamics studies of heterogeneous ice nucleation on model surfaces. The models surfaces considered emulate the chemistry of kaolinite, an abundant component of mineral dust. We investigate the interplay of surface lattice and hydrogen bonding properties in affecting ice nucleation. We find that lattice matching and hydrogen bonding are necessary but not sufficient conditions for observing ice nucleation at these surfaces. We correlate this behavior to the orientations sampled by the metastable supercooled water in contact with the surfaces. We find that ice is observed in cases where water molecules not only sample orientations favorable for bilayer formation but also do not sample unfavorable orientations. This distribution depends on both surface-water and water-water interactions and can change with subtle modifications to the surface properties. Our results provide insights into the diverse behavior of ice nucleation observed at different surfaces and highlight the complexity in elucidating heterogeneous ice nucleation.

  13. Nucleation of bulk superconductivity close to critical magnetic fields

    DEFF Research Database (Denmark)

    Fournais, Søren; Kachmar, Ayman

    2011-01-01

    We consider the two-dimensional Ginzburg–Landau functional with constant applied magnetic field. For applied magnetic fields close to the second critical field HC2 and large Ginzburg–Landau parameter, we provide leading order estimates on the energy of minimizing configurations. We obtain a fine ...

  14. Size fluctuations of near critical and Gibbs free energy for nucleation of BDA on Cu(001)

    NARCIS (Netherlands)

    Schwarz, Daniel; van Gastel, Raoul; Zandvliet, Henricus J.W.; Poelsema, Bene

    2012-01-01

    We present a low-energy electron microscopy study of nucleation and growth of BDA on Cu(001) at low supersaturation. At sufficiently high coverage, a dilute BDA phase coexists with c(8×8) crystallites. The real-time microscopic information allows a direct visualization of near-critical nuclei,

  15. Influence of surface conditions in nucleate boiling--the concept of bubble flux density

    International Nuclear Information System (INIS)

    Shoukri, M.; Judd, R.L.

    1978-01-01

    A study of the influence of surface conditions in nucleate pool boiling is presented. The surface conditions are represented by the number and distribution of the active nucleation sites as well as the size and size distribution of the cavities that constitute the nucleation sites. The heat transfer rate during nucleate boiling is shown to be influenced by the surface condition through its effect on the number and distribution of the active nucleation sites as well as the frequency of bubble departure from each of these different size cavities. The concept of bubble flux density, which is a function of both the active site density and frequency of bubble departure, is introduced. A method of evaluating the bubble flux density is proposed and a uniform correlation between the boiling heat flux and the bubble flux density is found to exist for a particular solid-liquid combination irrespective of the surface finish within the region of isolated bubbles

  16. Calcium carbonate nucleation in an alkaline lake surface water, Pyramid Lake, Nevada, USA

    Science.gov (United States)

    Reddy, Michael M.; Hoch, Anthony

    2012-01-01

    Calcium concentration and calcite supersaturation (Ω) needed for calcium carbonate nucleation and crystal growth in Pyramid Lake (PL) surface water were determined during August of 1997, 2000, and 2001. PL surface water has Ω values of 10-16. Notwithstanding high Ω, calcium carbonate growth did not occur on aragonite single crystals suspended PL surface water for several months. However, calcium solution addition to PL surface-water samples caused reproducible calcium carbonate mineral nucleation and crystal growth. Mean PL surface-water calcium concentration at nucleation was 2.33 mM (n = 10), a value about nine times higher than the ambient PL surface-water calcium concentration (0.26 mM); mean Ω at nucleation (109 with a standard deviation of 8) is about eight times the PL surface-water Ω. Calcium concentration and Ω regulated the calcium carbonate formation in PL nucleation experiments and surface water. Unfiltered samples nucleated at lower Ω than filtered samples. Calcium concentration and Ω at nucleation for experiments in the presence of added particles were within one standard deviation of the mean for all samples. Calcium carbonate formation rates followed a simple rate expression of the form, rate (mM/min) = A (Ω) + B. The best fit rate equation "Rate (Δ mM/Δ min) = -0.0026 Ω + 0.0175 (r = 0.904, n = 10)" was statistically significant at greater than the 0.01 confidence level and gives, after rearrangement, Ω at zero rate of 6.7. Nucleation in PL surface water and morphology of calcium carbonate particles formed in PL nucleation experiments and in PL surface-water samples suggest crystal growth inhibition by multiple substances present in PL surface water mediates PL calcium carbonate formation, but there is insufficient information to determine the chemical nature of all inhibitors.

  17. Heterogeneous nucleation on convex spherical substrate surfaces: A rigorous thermodynamic formulation of Fletcher's classical model and the new perspectives derived.

    Science.gov (United States)

    Qian, Ma; Ma, Jie

    2009-06-07

    Fletcher's spherical substrate model [J. Chem. Phys. 29, 572 (1958)] is a basic model for understanding the heterogeneous nucleation phenomena in nature. However, a rigorous thermodynamic formulation of the model has been missing due to the significant complexities involved. This has not only left the classical model deficient but also likely obscured its other important features, which would otherwise have helped to better understand and control heterogeneous nucleation on spherical substrates. This work presents a rigorous thermodynamic formulation of Fletcher's model using a novel analytical approach and discusses the new perspectives derived. In particular, it is shown that the use of an intermediate variable, a selected geometrical angle or pseudocontact angle between the embryo and spherical substrate, revealed extraordinary similarities between the first derivatives of the free energy change with respect to embryo radius for nucleation on spherical and flat substrates. Enlightened by the discovery, it was found that there exists a local maximum in the difference between the equivalent contact angles for nucleation on spherical and flat substrates due to the existence of a local maximum in the difference between the shape factors for nucleation on spherical and flat substrate surfaces. This helps to understand the complexity of the heterogeneous nucleation phenomena in a practical system. Also, it was found that the unfavorable size effect occurs primarily when R<5r( *) (R: radius of substrate and r( *): critical embryo radius) and diminishes rapidly with increasing value of R/r( *) beyond R/r( *)=5. This finding provides a baseline for controlling the size effects in heterogeneous nucleation.

  18. Surface nucleation and growth in the system of interacting particles

    Czech Academy of Sciences Publication Activity Database

    Chvoj, Zdeněk; Chromcová, Zdeňka

    2012-01-01

    Roč. 24, č. 13 (2012), 1-8 ISSN 0953-8984 R&D Projects: GA ČR GPP204/10/P331; GA MŠk ME09048; GA AV ČR IAA100100903 Institutional research plan: CEZ:AV0Z10100521 Keywords : epitaxy * nucleation * island density * graphene * long-range interaction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.355, year: 2012

  19. Local-Scale Simulations of Nucleate Boiling on Micrometer Featured Surfaces: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Sitaraman, Hariswaran [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Moreno, Gilberto [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Narumanchi, Sreekant V [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Dede, Ercan M. [Toyota Research Institute of North America; Joshi, Shailesh N. [Toyota Research Institute of North America; Zhou, Feng [Toyota Research Institute of North America

    2017-08-03

    A high-fidelity computational fluid dynamics (CFD)-based model for bubble nucleation of the refrigerant HFE7100 on micrometer-featured surfaces is presented in this work. The single-fluid incompressible Navier-Stokes equations, along with energy transport and natural convection effects are solved on a featured surface resolved grid. An a priori cavity detection method is employed to convert raw profilometer data of a surface into well-defined cavities. The cavity information and surface morphology are represented in the CFD model by geometric mesh deformations. Surface morphology is observed to initiate buoyancy-driven convection in the liquid phase, which in turn results in faster nucleation of cavities. Simulations pertaining to a generic rough surface show a trend where smaller size cavities nucleate with higher wall superheat. This local-scale model will serve as a self-consistent connection to larger device scale continuum models where local feature representation is not possible.

  20. Local-Scale Simulations of Nucleate Boiling on Micrometer-Featured Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sitaraman, Hariswaran [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Moreno, Gilberto [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Narumanchi, Sreekant V [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Dede, Ercan M. [Toyota Research Institute of North America; Joshi, Shailesh N. [Toyota Research Institute of North America; Zhou, Feng [Toyota Research Institute of North America

    2017-07-12

    A high-fidelity computational fluid dynamics (CFD)-based model for bubble nucleation of the refrigerant HFE7100 on micrometer-featured surfaces is presented in this work. The single-fluid incompressible Navier-Stokes equations, along with energy transport and natural convection effects are solved on a featured surface resolved grid. An a priori cavity detection method is employed to convert raw profilometer data of a surface into well-defined cavities. The cavity information and surface morphology are represented in the CFD model by geometric mesh deformations. Surface morphology is observed to initiate buoyancy-driven convection in the liquid phase, which in turn results in faster nucleation of cavities. Simulations pertaining to a generic rough surface show a trend where smaller size cavities nucleate with higher wall superheat. This local-scale model will serve as a self-consistent connection to larger device scale continuum models where local feature representation is not possible.

  1. Inhibition of ice nucleation by slippery liquid-infused porous surfaces (SLIPS).

    Science.gov (United States)

    Wilson, Peter W; Lu, Weizhe; Xu, Haojun; Kim, Philseok; Kreder, Michael J; Alvarenga, Jack; Aizenberg, Joanna

    2013-01-14

    Ice repellent coatings have been studied and keenly sought after for many years, where any advances in the durability of such coatings will result in huge energy savings across many fields. Progress in creating anti-ice and anti-frost surfaces has been particularly rapid since the discovery and development of slippery, liquid infused porous surfaces (SLIPS). Here we use SLIPS-coated differential scanning calorimeter (DSC) pans to investigate the effects of the surface modification on the nucleation of supercooled water. This investigation is inherently different from previous studies which looked at the adhesion of ice to SLIPS surfaces, or the formation of ice under high humidity conditions. Given the stochastic nature of nucleation of ice from supercooled water, multiple runs on the same sample are needed to determine if a given surface coating has a real and statistically significant effect on the nucleation temperature. We have cycled supercooling to freezing and then thawing of deionized water in hydrophilic (untreated aluminum), hydrophobic, superhydrophobic, and SLIPS-treated DSC pans multiple times to determine the effects of surface treatment on the nucleation and subsequent growth of ice. We find that SLIPS coatings lower the nucleation temperature of supercooled water in contact with statistical significance and show no deterioration or change in the coating performance even after 150 freeze-thaw cycles.

  2. Critical behavior of collapsing surfaces

    DEFF Research Database (Denmark)

    Olsen, Kasper; Sourdis, C.

    2009-01-01

    We consider the mean curvature evolution of rotationally symmetric surfaces. Using numerical methods, we detect critical behavior at the threshold of singularity formation resembling that of gravitational collapse. In particular, the mean curvature simulation of a one-parameter family of initial...... data reveals the existence of a critical initial surface that develops a degenerate neckpinch. The limiting flow of the type II singularity is accurately modeled by the rotationally symmetric translating soliton....

  3. Functional display of ice nucleation protein InaZ on the surface of bacterial ghosts.

    Science.gov (United States)

    Kassmannhuber, Johannes; Rauscher, Mascha; Schöner, Lea; Witte, Angela; Lubitz, Werner

    2017-09-03

    In a concept study the ability to induce heterogeneous ice formation by Bacterial Ghosts (BGs) from Escherichia coli carrying ice nucleation protein InaZ from Pseudomonas syringae in their outer membrane was investigated by a droplet-freezing assay of ultra-pure water. As determined by the median freezing temperature and cumulative ice nucleation spectra it could be demonstrated that both the living recombinant E. coli and their corresponding BGs functionally display InaZ on their surface. Under the production conditions chosen both samples belong to type II ice-nucleation particles inducing ice formation at a temperature range of between -5.6 °C and -6.7 °C, respectively. One advantage for the application of such BGs over their living recombinant mother bacteria is that they are non-living native cell envelopes retaining the biophysical properties of ice nucleation and do no longer represent genetically modified organisms (GMOs).

  4. Nucleation rate of critical droplets on an elastic string in a φ6 potential

    International Nuclear Information System (INIS)

    Kerr, W.C.; Graham, A.J.

    2004-01-01

    We obtain the nucleation rate of critical droplets for an elastic string moving in a φ 6 local potential and subject to noise and damping forces. The critical droplet is a bound soliton-antisoliton pair that carries a section of the string out of the metastable central minimum into one of the stable side minima. The frequencies of small oscillations about the critical droplet are obtained from a Heun equation. We solve the Fokker-Planck equation for the phase-space probability density by projecting it onto the eigenfunction basis obtained from the Heun equation. We employ Farkas' 'flux-overpopulation' method to obtain boundary conditions for solving the Fokker-Planck equation; these restrict the validity of our solution to the moderate to heavy damping regime. We present results for the rate as a function of temperature, well depth, and damping

  5. Nucleate pool-boiling heat transfer - I. Review of parametric effects of boiling surface

    International Nuclear Information System (INIS)

    Pioro, I.L.; Rohsenow, W.; Doerffer, S.S.

    2004-01-01

    The objective of this paper is to assess the state-of-the-art of heat transfer in nucleate pool-boiling. Therefore, the paper consists of two parts: part I reviews and examines the effects of major boiling surface parameters affecting nucleate-boiling heat transfer, and part II reviews and examines the existing prediction methods to calculate the nucleate pool-boiling heat transfer coefficient (HTC). A literature review of the parametric trends points out that the major parameters affecting the HTC under nucleate pool-boiling conditions are heat flux, saturation pressure, and thermophysical properties of a working fluid. Therefore, these effects on the HTC under nucleate pool-boiling conditions have been the most investigated and are quite well established. On the other hand, the effects of surface characteristics such as thermophysical properties of the material, dimensions, thickness, surface finish, microstructure, etc., still cannot be quantified, and further investigations are needed. Particular attention has to be paid to the characteristics of boiling surfaces. (author)

  6. Crystal nucleation initiated by transient ion-surface interactions at aerosol interfaces.

    Science.gov (United States)

    Davis, Ryan D; Tolbert, Margaret A

    2017-07-01

    Particle collisions are a common occurrence in the atmosphere, but no empirical observations exist to fully predict the potential effects of these collisions on air quality and climate projections. The current consensus of heterogeneous crystal nucleation pathways relevant to the atmosphere dictates that collisions with amorphous particles have no effect on the crystallization relative humidity (RH) of aqueous inorganic aerosols because there is no stabilizing ion-surface interaction to facilitate the formation of crystal nuclei. In contrast to this view of heterogeneous nucleation, we report laboratory observations demonstrating that collisions with hydrophobic amorphous organic aerosols induced crystallization of aqueous inorganic microdroplets at high RH, the effect of which was correlated with destabilizing water-mediated ion-specific surface interactions. These same organic aerosols did not induce crystallization once internally mixed in the droplet, pointing toward a previously unconsidered transient ion-specific crystal nucleation pathway that can promote aerosol crystallization via particle collisions.

  7. Tungsten surface evolution by helium bubble nucleation, growth and rupture

    International Nuclear Information System (INIS)

    Sefta, Faiza; Wirth, Brian D.; Hammond, Karl D.; Juslin, Niklas

    2013-01-01

    Molecular dynamics simulations reveal sub-surface mechanisms likely involved in the initial formation of nanometre-sized ‘fuzz’ in tungsten exposed to low-energy helium plasmas. Helium clusters grow to over-pressurized bubbles as a result of repeated cycles of helium absorption and Frenkel pair formation. The self-interstitials either reach the surface as isolated adatoms or trap at the bubble periphery before organizing into prismatic 〈1 1 1〉 dislocation loops. Surface roughening occurs as single adatoms migrate to the surface, prismatic loops glide to the surface to form adatom islands, and ultimately as over-pressurized gas bubbles burst. (paper)

  8. Size Fluctuations of Near Critical Nuclei and Gibbs Free Energy for Nucleation of BDA on Cu(001)

    Science.gov (United States)

    Schwarz, Daniel; van Gastel, Raoul; Zandvliet, Harold J. W.; Poelsema, Bene

    2012-07-01

    We present a low-energy electron microscopy study of nucleation and growth of BDA on Cu(001) at low supersaturation. At sufficiently high coverage, a dilute BDA phase coexists with c(8×8) crystallites. The real-time microscopic information allows a direct visualization of near-critical nuclei, determination of the supersaturation and the line tension of the crystallites, and, thus, derivation of the Gibbs free energy for nucleation. The resulting critical nucleus size nicely agrees with the measured value. Nuclei up to 4-6 times larger still decay with finite probability, urging reconsideration of the classic perception of a critical nucleus.

  9. Nucleation, aggregative growth and detachment of metal nanoparticles during electrodeposition at electrode surfaces

    NARCIS (Netherlands)

    Lai, Stanley; Lazenby, R.A.; Kirkman, P.M.; Unwin, P.R.

    2015-01-01

    The nucleation and growth of metal nanoparticles (NPs) on surfaces is of considerable interest with regard to creating functional interfaces with myriad applications. Yet, key features of these processes remain elusive and are undergoing revision. Here, the mechanism of the electrodeposition of

  10. Effect of a Stepped Si(100) Surface on the Nucleation Process of Ge Islands

    Science.gov (United States)

    Yesin, M. Yu.; Nikiforov, A. I.; Timofeev, V. A.; Mashanov, V. I.; Tuktamyshev, A. R.; Loshkarev, I. D.; Pchelyakov, O. P.

    2018-03-01

    Nucleation of Ge islands on a stepped Si(100) surface is studied. It is shown by diffraction of fast electrons that at a temperature of 600°C, constant flux of Si, and deposition rate of 0.652 Å/s, a series of the 1×2 superstructure reflections completely disappears, if the Si (100) substrate deviated by an angle of 0.35° to the (111) face is preliminarily heated to 1000°C. The disappearance of the 1×2 superstructure reflexes is due to the transition from the surface with monoatomic steps to that with diatomic ones. Investigations of the Ge islands' growth were carried out on the Si(100) surface preliminarily annealed at temperatures of 800 and 1000°C. It is shown that the islands tend to nucleate at the step edges.

  11. Possible nucleation of a 2D superconducting phase on WO3 single crystals surface doped with Na+

    International Nuclear Information System (INIS)

    Reich, S.; Tsabba, Y.

    1999-01-01

    WO 3 crystals with a surface composition of Na 0.05 WO 3 were grown. These crystals exhibit a sharp diamagnetic step in magnetization at 91 K, and a magnetic hysteresis below this temperature. As the temperature is lowered below 100 K in transport measurements, a sharp metal to insulator transition is observed, this is followed by a sharp decrease in the resistivity when the temperature is lowered to about 90 K. When the surface of the crystals was covered by gold the depth of the diamagnetic step had decreased considerably. These results indicate a possible nucleation of a superconducting phase on the surface of these crystals. This is a non cuprate system exhibiting a critical temperature in the HTS range. (orig.)

  12. Adsorption of dysprosium on the graphite (0001) surface: Nucleation and growth at 300 K

    International Nuclear Information System (INIS)

    Kwolek, Emma J.; Lii-Rosales, Ann; Lei, Huaping; Wang, Cai-Zhuang; Tringides, Michael C.; Evans, James W.; Wallingford, Mark; Zhou, Yinghui; Thiel, Patricia A.

    2016-01-01

    We have studied nucleation and growth of Dy islands on the basal plane of graphite at 300 K using scanning tunneling microscopy, density functional theory (DFT) in a form that includes van der Waals interactions, and analytic theory. The interaction of atomic Dy with graphite is strong, while the diffusion barrier is small. Experiment shows that at 300 K, the density of nucleated islands is close to the value predicted for homogeneous nucleation, using critical nucleus size of 1 and the DFT-derived diffusion barrier. Homogeneous nucleation is also supported by the monomodal shape of the island size distributions. Comparison with the published island density of Dy on graphene shows that the value is about two orders of magnitude smaller on graphite, which can be attributed to more effective charge screening in graphite. The base of each island is 3 atomic layers high and atomically ordered, forming a coincidence lattice with the graphite. Islands resist coalescence, probably due to multiple rotational orientations associated with the coincidence lattice. Upper levels grow as discernible single-atom layers. Analysis of the level populations reveals significant downward interlayer transport, which facilitates growth of the base. This island shape is metastable, since more compact three-dimensional islands form at elevated growth temperature.

  13. Adsorption of dysprosium on the graphite (0001) surface: Nucleation and growth at 300 K

    Energy Technology Data Exchange (ETDEWEB)

    Kwolek, Emma J.; Lii-Rosales, Ann [The Ames Laboratory, Ames, Iowa 50011 (United States); Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Lei, Huaping; Wang, Cai-Zhuang; Tringides, Michael C.; Evans, James W. [The Ames Laboratory, Ames, Iowa 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States); Wallingford, Mark; Zhou, Yinghui [The Ames Laboratory, Ames, Iowa 50011 (United States); Thiel, Patricia A., E-mail: pthiel@iastate.edu [The Ames Laboratory, Ames, Iowa 50011 (United States); Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011 (United States)

    2016-12-07

    We have studied nucleation and growth of Dy islands on the basal plane of graphite at 300 K using scanning tunneling microscopy, density functional theory (DFT) in a form that includes van der Waals interactions, and analytic theory. The interaction of atomic Dy with graphite is strong, while the diffusion barrier is small. Experiment shows that at 300 K, the density of nucleated islands is close to the value predicted for homogeneous nucleation, using critical nucleus size of 1 and the DFT-derived diffusion barrier. Homogeneous nucleation is also supported by the monomodal shape of the island size distributions. Comparison with the published island density of Dy on graphene shows that the value is about two orders of magnitude smaller on graphite, which can be attributed to more effective charge screening in graphite. The base of each island is 3 atomic layers high and atomically ordered, forming a coincidence lattice with the graphite. Islands resist coalescence, probably due to multiple rotational orientations associated with the coincidence lattice. Upper levels grow as discernible single-atom layers. Analysis of the level populations reveals significant downward interlayer transport, which facilitates growth of the base. This island shape is metastable, since more compact three-dimensional islands form at elevated growth temperature.

  14. Microtubule array reorientation in response to hormones does not involve changes in microtubule nucleation modes at the periclinal cell surface

    Science.gov (United States)

    Atkinson, Samantha; Kirik, Angela; Kirik, Viktor

    2014-01-01

    Aligned microtubule arrays spatially organize cell division, trafficking, and determine the direction of cell expansion in plant cells. In response to changes in environmental and developmental signals, cells reorganize their microtubule arrays into new configurations. Here, we tested the role of microtubule nucleation during hormone-induced microtubule array reorientation. We have found that in the process of microtubule array reorientation the ratios between branching, parallel, and de-novo nucleations remained constant, suggesting that the microtubule reorientation mechanism does not involve changes in nucleation modes. In the ton2/fass mutant, which has reduced microtubule branching nucleation frequency and decreased nucleation activity of the γ-tubulin complexes, microtubule arrays were able to reorient. Presented data suggest that reorientation of microtubules into transverse arrays in response to hormones does not involve changes in microtubule nucleation at the periclinal cell surface PMID:25135522

  15. Nucleation and growth of vapor bubbles in the liquid bulk and at a solid surface

    International Nuclear Information System (INIS)

    Yagov, V.V.

    1977-01-01

    The main achievements in the study of the vapor phase origin in liquid and the subsequent growth of the vapor bubbles are presented briefly, and a number of issues on which there is no single opinion as yet are also outlined. The theory of homogeneous nucleation and a great number of experiments make it possible not only to explain qualitatively the causes of spontaneous formation of vapor nucleation centers in the metastable liquid but provides a simple computational relation for the estimating the intensity of this process. None of the existing hypotheses, however, can give a complete answer to the question of the mechanism of the vapor phase nucleation on a solid surface under ''pure conditions'', although this is a more pressing problem. At the same time, the role of cavities of reservoir type (with a narrow orifice) on the surface under heating as reliable stabilizers of the vapor formation (especially in liquid metals) is clarified from the practical point of view. Thus, the identification of technology for production of such cavities would make it possible to increase substantially the efficiency of heat transferring surfaces. Any computational relations for the growth of bubbles on the heating surface also are (and, according to the author, necessarily will be) approximate ones, although considerable success has been achieved in this field

  16. Silica-Assisted Nucleation of Polymer Foam Cells with Nanoscopic Dimensions: Impact of Particle Size, Line Tension, and Surface Functionality.

    Science.gov (United States)

    Liu, Shanqiu; Eijkelenkamp, Rik; Duvigneau, Joost; Vancso, G Julius

    2017-11-01

    Core-shell nanoparticles consisting of silica as core and surface-grafted poly(dimethylsiloxane) (PDMS) as shell with different diameters were prepared and used as heterogeneous nucleation agents to obtain CO 2 -blown poly(methyl methacrylate) (PMMA) nanocomposite foams. PDMS was selected as the shell material as it possesses a low surface energy and high CO 2 -philicity. The successful synthesis of core-shell nanoparticles was confirmed by Fourier transform infrared spectroscopy, thermogravimetric analysis, and transmission electron microscopy. The cell size and cell density of the PMMA micro- and nanocellular materials were determined by scanning electron microscopy. The cell nucleation efficiency using core-shell nanoparticles was significantly enhanced when compared to that of unmodified silica. The highest nucleation efficiency observed had a value of ∼0.5 for nanoparticles with a core diameter of 80 nm. The particle size dependence of cell nucleation efficiency is discussed taking into account line tension effects. Complete engulfment by the polymer matrix of particles with a core diameter below 40 nm at the cell wall interface was observed corresponding to line tension values of approximately 0.42 nN. This line tension significantly increases the energy barrier of heterogeneous nucleation and thus reduces the nucleation efficiency. The increase of the CO 2 saturation pressure to 300 bar prior to batch foaming resulted in an increased line tension length. We observed a decrease of the heterogeneous nucleation efficiency for foaming after saturation with CO 2 at 300 bar, which we attribute to homogenous nucleation becoming more favorable at the expense of heterogeneous nucleation in this case. Overall, it is shown that the contribution of line tension to the free energy barrier of heterogeneous foam cell nucleation must be considered to understand foaming of viscoelastic materials. This finding emphasizes the need for new strategies including the use of

  17. Correlations of Nucleate Boiling Heat Transfer and Critical Heat Flux for External Reactor Vessel Cooling

    International Nuclear Information System (INIS)

    J. Yang; F. B. Cheung; J. L. Rempe; K. Y. Suh; S. B. Kim

    2005-01-01

    Four types of steady-state boiling experiments were conducted to investigate the efficacy of two distinctly different heat transfer enhancement methods for external reactor vessel cooling under severe accident conditions. One method involved the use of a thin vessel coating and the other involved the use of an enhanced insulation structure. By comparing the results obtained in the four types of experiments, the separate and integral effect of vessel coating and insulation structure were determined. Correlation equations were obtained for the nucleate boiling heat transfer and the critical heat flux. It was found that both enhancement methods were quite effective. Depending on the angular location, the local critical heat flux could be enhanced by 1.4 to 2.5 times using vessel coating alone whereas it could be enhanced by 1.8 to 3.0 times using an enhanced insulation structure alone. When both vessel coating and insulation structure were used simultaneously, the integral effect on the enhancement was found much less than the product of the two separate effects, indicating possible competing mechanisms (i.e., interference) between the two enhancement methods

  18. Scanning probe studies of water nucleation on aluminum oxide and gold surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Missert, N. [Sandia National Laboratories, Albuquerque, NM 87185-1415 (United States)], E-mail: namisse@sandia.gov; Copeland, R.G. [Sandia National Laboratories, Albuquerque, NM 87185-1415 (United States)

    2008-01-30

    The nucleation of nanoscale water at surfaces in humid environments is sensitive to several factors, including the details of the surface morphology, ability of the surface to hydrate and the presence of contaminants. Tapping mode atomic force microscopy was used to investigate the nucleation process as a function of relative humidity (RH) on passive aluminum and gold thin films. Films exposed to the ambient environment prior to RH exposure showed discrete structures with lateral sizes ranging from 10 to 100 nm only at RH > 70%. These structures formed preferentially at grain boundaries, triple points and regions with significant topography such as protruding grains. The morphology of the passive aluminum surface is permanently altered at the sites where discrete structures were observed; nodules with heights ranging from 0.5 to 2 nm persist even after reducing the RH to <2%. The gold surface does not show such a permanent change in morphology after reducing the RH. Passive aluminum films exposed to high RH immediately after growth (e.g. no ambient exposure) do not show discrete structures even at the highest RH exposures of 90%, suggesting a hydrophilic surface and the importance of surface hydrocarbon contaminants in affecting the distribution of the water layer.

  19. Scanning probe studies of water nucleation on aluminum oxide and gold surfaces

    International Nuclear Information System (INIS)

    Missert, N.; Copeland, R.G.

    2008-01-01

    The nucleation of nanoscale water at surfaces in humid environments is sensitive to several factors, including the details of the surface morphology, ability of the surface to hydrate and the presence of contaminants. Tapping mode atomic force microscopy was used to investigate the nucleation process as a function of relative humidity (RH) on passive aluminum and gold thin films. Films exposed to the ambient environment prior to RH exposure showed discrete structures with lateral sizes ranging from 10 to 100 nm only at RH > 70%. These structures formed preferentially at grain boundaries, triple points and regions with significant topography such as protruding grains. The morphology of the passive aluminum surface is permanently altered at the sites where discrete structures were observed; nodules with heights ranging from 0.5 to 2 nm persist even after reducing the RH to <2%. The gold surface does not show such a permanent change in morphology after reducing the RH. Passive aluminum films exposed to high RH immediately after growth (e.g. no ambient exposure) do not show discrete structures even at the highest RH exposures of 90%, suggesting a hydrophilic surface and the importance of surface hydrocarbon contaminants in affecting the distribution of the water layer

  20. Nucleation and growth of copper phthalocyanine aggregates deposited from solution on planar surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Ghani, Fatemeh [Department of Theory & Bio-Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1 Golm, 14476 Potsdam (Germany); Gojzewski, Hubert, E-mail: hubert.gojzewski@put.poznan.pl [Department of Theory & Bio-Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1 Golm, 14476 Potsdam (Germany); Institute of Physics, Poznan University of Technology, Piotrowo 3, 60-965 Poznan (Poland); Riegler, Hans [Department of Theory & Bio-Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1 Golm, 14476 Potsdam (Germany)

    2015-10-01

    Graphical abstract: - Highlights: • Copper phthalocyanine deposited on planar surfaces by 3 solution process methods. • Aggregate morphology examined for coverage extending over 3 orders of magnitude. • Morphologies vary from small individual domains to mesh-like multilayers. • Nucleation and growth model explains the observed deposit morphologies. - Abstract: Copper phthalocyanine (CuPc) dissolved in trifluoroacetic acid (TFA) is deposited on solid SiO{sub 2} surfaces by solvent evaporation. The deposited CuPc aggregates are investigated by atomic force microscopy (AFM). The CuPc deposits were prepared by spin casting, dip coating, and spray deposition. Depending on the amount of deposited CuPc the aggregate morphology ranges from small individual domains to mesh-like multilayers. Each domain/layer consists of many parallel stacks of CuPc molecules with the square, plate-like molecules piled face-wise within each stack. The parallel stacks are attached sideways (i.e., edgewise attachment molecularly) to the substrate forming “nanoribbons” with uniform thickness of about 1 nm and varying width. The thickness reflects the length of a molecular edge, the width the number of stacks. A nucleation and growth model is presented that explains the observed aggregate and multilayer morphologies as result of the combination of nucleation, transport processes and a consequence of the anisotropic intermolecular interactions due to the shape of the CuPc molecule.

  1. Numerical modeling of the effect of surface topology on the saturated pool nucleate boiling curve

    International Nuclear Information System (INIS)

    Unal, C.; Pasamehmetoglu, K.O.

    1993-01-01

    A numerical study of saturated pool nucleate boiling with an emphasis on the effect of surface topography is presented. The numerical model consisted of solving the three-dimensional transient heat conduction equation within the heater subjected to nucleate boiling over its upper surface. The surface topography model considered the distribution of the cavity and cavity angles based on exponential and normal probability functions. Parametric results showed that the saturated nucleate boiling curve shifted left and became steeper with an increase in the mean cavity radius. The boiling curve was found to be sensitive to the selection of how many cavities were selected for each octagonal cell. A small variation in the statistical parameters, especially cavity radii for smooth surfaces, resulted in noticeable differences in wall superheat for a given heat flux. This result indicated that while the heat transfer coefficient increased with cavity radii, the cavity radii or height alone was not sufficient to characterize the boiling curve. It also suggested that statistical experimental data should consider large samples to characterize the surface topology. The boiling curve shifted to the right when the cavity angle was obtained using a normal distribution. This effect became less important when the number of cavities for each cell was increasing because the probability of the potential cavity with a larger radius in each cell was increased. When the contact angle of the fluid decreased for a given mean cavity radii, the boiling curve shifted to the right. This shift was more pronounced at smaller mean cavity radii and decreased with increasing mean cavity radii

  2. A study of the rates of heat transfer and bubble site density for nucleate boiling on an inclined heating surface

    International Nuclear Information System (INIS)

    Bonamy, S.E.; Symons, J.G.

    1974-08-01

    Nucleate pool boiling of distilled water from an electrically heated surface at atmospheric pressure is studied for varying heating surface inclinations. The constants of the accepted boiling equation phi = K Tsup(B) and the Rohsenow Correlation Coefficient are found to be dependent on surface orientation. Convection cooling is observed to play a major role in pool boiling phenomena and causes large changes in the heat transfer rates for a given excess of temperature of the heated surface. Active nucleation site density is studied and found to be independent of surface inclination. Empirical relations are presented to provide an understanding of the effects of inclination on other boiling parameters. (author)

  3. Efflorescence of ammonium sulfate and coated ammonium sulfate particles: evidence for surface nucleation.

    Science.gov (United States)

    Ciobanu, V Gabriela; Marcolli, Claudia; Krieger, Ulrich K; Zuend, Andreas; Peter, Thomas

    2010-09-09

    excluded. On the basis of this probability analysis of efflorescence events together with the AS ERH values of pure aqueous AS and aqueous PEG-400/AS particles aforementioned, we suggest that in pure aqueous AS particles nucleation starts at the surface of the particles and attribute the lower ERH values observed for aqueous PEG-400/AS particles to the suppression of the surface-induced nucleation process. Our results suggest that surface-induced nucleation is likely to also occur during the efflorescence of atmospheric AS aerosol particles, possibly constituting the dominating nucleation pathway.

  4. Evolution effects of the copper surface morphology on the nucleation density and growth of graphene domains at different growth pressures

    Energy Technology Data Exchange (ETDEWEB)

    Hedayat, Seyed Mahdi [Transport Phenomena & Nanotechnology Lab., School of Chemical Engineering, College of Engineering, University of Tehran (Iran, Islamic Republic of); Karimi-Sabet, Javad, E-mail: j_karimi@alum.sharif.edu [NFCRS, Nuclear Science and Technology Research Institute, Tehran (Iran, Islamic Republic of); Shariaty-Niassar, Mojtaba, E-mail: mshariat@ut.ac.ir [Transport Phenomena & Nanotechnology Lab., School of Chemical Engineering, College of Engineering, University of Tehran (Iran, Islamic Republic of)

    2017-03-31

    Highlights: • Manipulation of the Cu surface morphology in a wide range by electropolishing treatment. • Comparison of the nucleation density of graphene at low pressure and atmospheric pressure CVD processes. • Controlling the evolution of the Cu surface morphology inside a novel confined space. • Growth of large-size graphene domains. - Abstract: In this work, we study the influence of the surface morphology of the catalytic copper substrate on the nucleation density and the growth rate of graphene domains at low and atmospheric pressure chemical vapor deposition (LPCVD and APCVD) processes. In order to obtain a wide range of initial surface morphology, precisely controlled electropolishing methods were developed to manipulate the roughntreess value of the as-received Cu substrate (RMS = 30 nm) to ultra-rough (RMS = 130 nm) and ultra-smooth (RMS = 2 nm) surfaces. The nucleation and growth of graphene domains show obviously different trends at LPCVD and APCVD conditions. In contrast to APCVD condition, the nucleation density of graphene domains is almost equal in substrates with different initial roughness values at LPCVD condition. We show that this is due to the evolution of the surface morphology of the Cu substrate during the graphene growth steps. By stopping the surface sublimation of copper substrate in a confined space saturated with Cu atoms, the evolution of the Cu surface was impeded. This results in the reduction of the nucleation density of graphene domains up to 24 times in the pre-smoothed Cu substrates at LPCVD condition.

  5. Evolution effects of the copper surface morphology on the nucleation density and growth of graphene domains at different growth pressures

    International Nuclear Information System (INIS)

    Hedayat, Seyed Mahdi; Karimi-Sabet, Javad; Shariaty-Niassar, Mojtaba

    2017-01-01

    Highlights: • Manipulation of the Cu surface morphology in a wide range by electropolishing treatment. • Comparison of the nucleation density of graphene at low pressure and atmospheric pressure CVD processes. • Controlling the evolution of the Cu surface morphology inside a novel confined space. • Growth of large-size graphene domains. - Abstract: In this work, we study the influence of the surface morphology of the catalytic copper substrate on the nucleation density and the growth rate of graphene domains at low and atmospheric pressure chemical vapor deposition (LPCVD and APCVD) processes. In order to obtain a wide range of initial surface morphology, precisely controlled electropolishing methods were developed to manipulate the roughntreess value of the as-received Cu substrate (RMS = 30 nm) to ultra-rough (RMS = 130 nm) and ultra-smooth (RMS = 2 nm) surfaces. The nucleation and growth of graphene domains show obviously different trends at LPCVD and APCVD conditions. In contrast to APCVD condition, the nucleation density of graphene domains is almost equal in substrates with different initial roughness values at LPCVD condition. We show that this is due to the evolution of the surface morphology of the Cu substrate during the graphene growth steps. By stopping the surface sublimation of copper substrate in a confined space saturated with Cu atoms, the evolution of the Cu surface was impeded. This results in the reduction of the nucleation density of graphene domains up to 24 times in the pre-smoothed Cu substrates at LPCVD condition.

  6. New Departure from Nucleate Boiling model relying on first principle energy balance at the boiling surface

    Science.gov (United States)

    Demarly, Etienne; Baglietto, Emilio

    2017-11-01

    Predictions of Departure from Nucleate Boiling have been a longstanding challenge when designing heat exchangers such as boilers or nuclear reactors. Many mechanistic models have been postulated over more than 50 years in order to explain this phenomenon but none is able to predict accurately the conditions which trigger the sudden change of heat transfer mode. This work aims at demonstrating the pertinence of a new approach for detecting DNB by leveraging recent experimental insights. The new model proposed departs from all the previous models by making the DNB inception come from an energy balance instability at the heating surface rather than a hydrodynamic instability of the bubbly layer above the surface (Zuber, 1959). The main idea is to modulate the amount of heat flux being exchanged via the nucleate boiling mechanism by the wetted area fraction on the surface, thus allowing a completely automatic trigger of DNB that doesn't require any parameter prescription. This approach is implemented as a surrogate model in MATLAB in order to validate the principles of the model in a simple and controlled geometry. Good agreement is found with the experimental data leveraged from the MIT Flow Boiling at various flow regimes. Consortium for Advanced Simulation of Light Water Reactors (CASL).

  7. A study on the effects of heated surface wettability on nucleation characteristics in subcooled flow boiling

    International Nuclear Information System (INIS)

    Kajihara, Tomoyuki; Kaiho, Kazuhiro; Okawa, Tomio

    2014-01-01

    Subcooled flow boiling plays an important role in boiling water reactors because it influences the heat transfer performance from fuel rods, two-phase flow stabilities, and neutron moderation characteristics. In the present study, flow visualization of water subcooled flow boiling in a vertical heated channel was carried out to investigate the mechanisms of void fraction development. The two surfaces of distinctly different contact angles were used as the heated surface to investigate the effect of the surface wettability. It was observed that with an increase in the wall heat flux, more nucleation sites were activated and larger bubbles were produced at low-frequency. It was considered that formation of these large bubbles primarily contributed to the void fraction development. (author)

  8. Critical Shape and Size for Dislocation Nucleation in Si1-xGex Islands on Si(001)

    International Nuclear Information System (INIS)

    Marzegalli, A.; Zinovyev, V. A.; Montalenti, F.; Miglio, Leo; Rastelli, A.; Schmidt, O. G.; Stoffel, M.; Merdzhanova, T.

    2007-01-01

    The critical volume for the onset of plastic strain relaxation in SiGe islands on Si(001) is computed for different Ge contents and realistic shapes by using a three-dimensional model, with position-dependent dislocation energy. It turns out that the critical bases for dome- and barnlike islands are different for any composition. By comparison to extensive atomic force microscopy measurements of the footprints left on the Si substrates by islands grown at different temperatures (and compositions), we conclude that, in contrast with planar films, dislocation nucleation in 3D islands is fully thermodynamic

  9. Nucleation and growth of microdroplets of ionic liquids deposited by physical vapor method onto different surfaces

    Science.gov (United States)

    Costa, José C. S.; Coelho, Ana F. S. M. G.; Mendes, Adélio; Santos, Luís M. N. B. F.

    2018-01-01

    Nanoscience and technology has generated an important area of research in the field of properties and functionality of ionic liquids (ILs) based materials and their thin films. This work explores the deposition process of ILs droplets as precursors for the fabrication of thin films, by means of physical vapor deposition (PVD). It was found that the deposition (by PVD on glass, indium tin oxide, graphene/nickel and gold-coated quartz crystal surfaces) of imidazolium [C4mim][NTf2] and pyrrolidinium [C4C1Pyrr][NTf2] based ILs generates micro/nanodroplets with a shape, size distribution and surface coverage that could be controlled by the evaporation flow rate and deposition time. No indication of the formation of a wetting-layer prior to the island growth was found. Based on the time-dependent morphological analysis of the micro/nanodroplets, a simple model for the description of the nucleation process and growth of ILs droplets is presented. The proposed model is based on three main steps: minimum free area to promote nucleation; first order coalescence; second order coalescence.

  10. Controlled parallel crystallization of lithium disilicate and diopside using a combination of internal and surface nucleation

    Directory of Open Access Journals (Sweden)

    Markus Rampf

    2016-10-01

    Full Text Available In the mid-19th century, Dr. Donald Stookey identified the importance and usability of nucleating agents and mechanisms for the development of glass-ceramic materials. Today, a number of various internal and surface mechanisms as well as combinations thereof have been established in the production of glass-ceramic materials. In order to create new innovative material properties the present study focuses on the precipitation of CaMgSiO6 as a minor phase in Li2Si2O5 based glass-ceramics. In the base glass of the SiO2-Li2O-P2O5-Al2O3-K2O-MgO-CaO system P2O5 serves as nucleating agent for the internal precipitation of Li2Si2O5 crystals while a mechanical activation of the glass surface by means of ball milling is necessary to nucleate the minor CaMgSi2O6 crystal phase. For a successful precipitation of CaMgSi2O6 a minimum ratio of MgO and CaO in the range between 1.4 mol% and 2.9 mol% in the base glasses was determined. The nucleation and crystallization of both crystal phases takes place during sintering a powder compact. Dependent on the quality of the sintering process the dense Li2Si2O5-CaMgSi2O6 glass-ceramics show a mean biaxial strength of up to 392 ± 98 MPa. The microstructure of the glass-ceramics is formed by large (5-10 µm bar like CaMgSi2O6 crystals randomly embedded in a matrix of small (≤ 0.5 µm plate like Li2Si2O5 crystals arranged in an interlocking manner. While there is no significant influence of the minor CaMgSi2O6 phase on the strength of the material, the translucency of the material decreases upon precipitation of the minor phase.

  11. Mechanism of the nanoscale localization of Ge quantum dot nucleation on focused ion beam templated Si(001) surfaces

    International Nuclear Information System (INIS)

    Portavoce, A; Kammler, M; Hull, R; Reuter, M C; Ross, F M

    2006-01-01

    We investigate the fundamental mechanism by which self-assembled Ge islands can be nucleated at specific sites on Si(001) using ultra-low-dose focused ion beam (FIB) pre-patterning. Island nucleation is controlled by a nanotopography that forms after the implantation of Ga ions during subsequent thermal annealing of the substrate. This nanotopography evolves during the annealing stage, changing from a nanoscale annular depression associated with each focused ion beam spot to a nanoscale pit, and eventually disappearing (planarizing). The correspondence of Ge quantum dot nucleation sites to the focused ion beam features requires a growth surface upon which the nanotopography is preserved. A further key observation is that the Ge wetting layer thickness is reduced in patterned regions, allowing the formation of islands on the templated regions without nucleation elsewhere. These results provide routes to the greatly enhanced design and control of quantum dot distributions and dimensions

  12. Nucleation and Early Stages of Layer-by-Layer Growth of Metal Organic Frameworks on Surfaces

    Science.gov (United States)

    2015-01-01

    High resolution atomic force microscopy (AFM) is used to resolve the evolution of crystallites of a metal organic framework (HKUST-1) grown on Au(111) using a liquid-phase layer-by-layer methodology. The nucleation and faceting of individual crystallites is followed by repeatedly imaging the same submicron region after each cycle of growth and we find that the growing surface is terminated by {111} facets leading to the formation of pyramidal nanostructures for [100] oriented crystallites, and triangular [111] islands with typical lateral dimensions of tens of nanometres. AFM images reveal that crystallites can grow by 5–10 layers in each cycle. The growth rate depends on crystallographic orientation and the morphology of the gold substrate, and we demonstrate that under these conditions the growth is nanocrystalline with a morphology determined by the minimum energy surface. PMID:26709359

  13. Surface analytical investigation of diamond coatings and nucleation processes by secondary ion mass spectrometry

    International Nuclear Information System (INIS)

    Steiner, R.

    1993-10-01

    Imaging SIMS for the investigation of substrate surfaces: the influence of the substrate surface on diamond nucleation is a major topic in the investigation of the chemical vapour deposition (CVD) of diamond. It is well known that the nucleation density can be enhanced by scratching the substrate surface with abrasive powders. Diamond can nucleate at scratches or at residues of the polishing material. In the present work the surface of refractory metals (Mo, Nb, Ta, W) polished with silicon carbide and diamond powder is studied by imaging (2- or 3-D) secondary ion mass spectrometry (SIMS). In first experiments the distribution of SiC and/or diamond residues after polishing was determined. The reaction of diamond with the substrate during heating to deposition temperatures was investigated. Investigation of WC/Co hardmetal substrates: it is well known that Co contained in the binder phase of the hard metal inhibits a strong adhesion between the diamond film and the substrate, which is need for an application as cutting tool. Several attempts to improve the adhesion have been reported up to now. In this work a pre-treatment procedure leading to the formation of Co compounds (borides and silicides) which are stable under diamond deposition conditions were investigated. Furthermore, the application of intermediate sputter layers consisting of chromium and titanium were studied. Investigation of P-doped diamond coatings: in the quaternary phase diagram C-P-B-N exist some phases with diamond structure and superhard phases (e.g BP, c-BN). Also a hypothetical superhard phase of the composition C 3 N 4 is predicted. A scientific objective is the synthesis of such phases by chemical vapour deposition. An increase of the phosphorus concentration effects a distinct change in the morphology of the deposited coatings. A major advantage of SIMS is that the concentration profiles can be measured through the whole film, due to the sputter removal of the sample, and the interface

  14. Nucleation of microcrystalline silicon: on the effect of the substrate surface nature and nano-imprint topography

    International Nuclear Information System (INIS)

    Palmans, J; Faraz, T; Verheijen, M A; Kessels, W M M; Creatore, M

    2016-01-01

    The nucleation of microcrystalline silicon thin-films has been investigated for various substrate natures and topographies. An earlier nucleation onset on aluminium-doped zinc oxide compared to glass substrates has been revealed, associated with a microstructure enhancement and reduced surface energy. Both aspects resulted in a larger crystallite density, following classical nucleation theory. Additionally, the nucleation onset was (plasma deposition) condition-dependent. Therefore, surface chemistry and its interplay with the plasma have been proposed as key factors affecting nucleation and growth. As such, preliminary proof of the substrate nature’s role in microcrystalline silicon growth has been provided. Subsequently, the impact of nano-imprint lithography prepared surfaces on the initial microcrystalline silicon growth has been explored. Strong topographies, with a 5-fold surface area enhancement, led to a reduction in crystalline volume fraction of ∼20%. However, no correlation between topography and microstructure has been found. Instead, the suppressed crystallization has been partially ascribed to a reduced growth flux, limited surface diffusion and increased incubation layer thickness, originating from the surface area enhancement when transiting from flat to nanostructured surfaces. Furthermore, fundamental plasma parameters have been reviewed in relation with surface topography. Strong topographies are not expected to affect the ion-to-growth flux ratio. However, the reduced ion flux (due to increasing surface area) further limited the already weak ion energy transfer to surface processes. Additionally, the atomic hydrogen flux, i.e. the driving force for microcrystalline growth, has been found to decrease by a factor of 10 when transiting from flat to nanostructured topography. This resulted in an almost 6-fold reduction of the hydrogen-to-growth flux ratio, a much stronger effect than the ion-to-growth flux ratio. Since previous studies regarding

  15. A nanoscale temperature-dependent heterogeneous nucleation theory

    International Nuclear Information System (INIS)

    Cao, Y. Y.; Yang, G. W.

    2015-01-01

    Classical nucleation theory relies on the hypothetical equilibrium of the whole nucleation system, and neglects the thermal fluctuations of the surface; this is because the high entropic gains of the (thermodynamically extensive) surface would lead to multiple stable states. In fact, at the nanometer scale, the entropic gains of the surface are high enough to destroy the stability of the thermal equilibrium during nucleation, comparing with the whole system. We developed a temperature-dependent nucleation theory to elucidate the heterogeneous nucleation process, by considering the thermal fluctuations based on classical nucleation theory. It was found that the temperature not only affected the phase transformation, but also influenced the surface energy of the nuclei. With changes in the Gibbs free energy barrier, nucleation behaviors, such as the nucleation rate and the critical radius of the nuclei, showed temperature-dependent characteristics that were different from those predicted by classical nucleation theory. The temperature-dependent surface energy density of a nucleus was deduced based on our theoretical model. The agreement between the theoretical and experimental results suggested that the developed nucleation theory has the potential to contribute to the understanding and design of heterogeneous nucleation at the nanoscale

  16. Structure and wettability property of the growth and nucleation surfaces of thermally treated freestanding CVD diamond films

    Science.gov (United States)

    Pei, Xiaoqiang; Cheng, Shaoheng; Ma, Yibo; Wu, Danfeng; Liu, Junsong; Wang, Qiliang; Yang, Yizhou; Li, Hongdong

    2015-08-01

    This paper reports the surface features and wettability properties of the (1 0 0)-textured freestanding chemical vapor deposited (CVD) diamond films after thermal exposure in air at high temperature. Thermal oxidation at proper conditions eliminates selectively nanodiamonds and non-diamond carbons in the films. The growth side of the films contains (1 0 0)-oriented micrometer-sized columns, while its nucleation side is formed of nano-sized tips. The examined wettability properties of the as-treated diamond films reveal a hydrophilicity and superhydrophilicity on the growth surface and nucleation surface, respectively, which is determined by oxygen termination and geometry structure of the surface. When the surface termination is hydrogenated, the wettability of nucleation side converted from superhydrophilicity to high hydrophobicity, while the hydrophilicity of the growth side does not change significantly. The findings open a possibility for realizing freestanding diamond films having not only novel surface structures but also multifunction applications, especially proposed on the selected growth side or nucleation side in one product.

  17. Nucleation of superconductivity under rapid cycling of an electric field

    International Nuclear Information System (INIS)

    Bandyopadhyay, Malay

    2008-01-01

    The effect of an externally applied high-frequency oscillating electric field on the critical nucleation field of superconductivity in the bulk as well as at the surface of a superconductor is investigated in detail in this work. Starting from the linearized time-dependent Ginzburg-Landau (TDLG) theory, and using the variational principle, I have shown the analogy between a quantum harmonic oscillator with that of the nucleation of superconductivity in the bulk and a quantum double oscillator with that of the nucleation at the surface of a finite sample. The effective Hamiltonian approach of Cook et al (1985 Phys. Rev. A 31 564) is employed to incorporate the effect of an externally applied highly oscillating electric field. The critical nucleation field ratio is also calculated from the ground state energy method. The results obtained from these two approximate theories agree very well with the exact results for the case of an undriven system, which establishes the validity of these two approximate theories. It is observed that the highly oscillating electric field actually increases the bulk critical nucleation field (H c 2 ) as well as the surface critical nucleation field (H c 3 ) of superconductivity as compared to the case of absent electric field (ε 0 = 0). But the externally applied rapidly oscillating electric field accentuates the surface critical nucleation field more than the bulk critical nucleation field, i.e. the increase of H c 3 is 1.6592 times larger than that of H c 2

  18. Ice formation via deposition nucleation on mineral dust and organics: dependence of onset relative humidity on total particulate surface area

    International Nuclear Information System (INIS)

    Kanji, Zamin A; Florea, Octavian; Abbatt, Jonathan P D

    2008-01-01

    We present ice nucleation results for Arizona test dust, kaolinite, montmorillonite, silica, silica coated with a hydrophobic octyl chain, oxalic acid dihydrate, Gascoyne leonardite (a humic material), and Aldrich humic acid (sodium salt). The focus was on deposition mode nucleation below water saturation at 233 K. Particles were deposited onto a hydrophobic cold stage by atomization of a slurry/solution and exposed to a constant partial pressure of water vapor. By lowering the temperature of the stage, the relative humidity with respect to ice (RH i ) was gradually increased until ice nucleation was observed using digital photography. Different numbers of particles were deposited onto the cold stage by varying the atomization solution concentration and deposition time. For the same total particulate surface area, mineral dust particles nucleated ice at lower supersaturations than all other materials. The most hydrophobic materials, i.e. Gascoyne leonardite and octyl silica, were the least active. For our limit of detection of one ice crystal, the ice onset RH i values were dependent on the total surface area of the particulates, indicating that no unique threshold RH i for ice nucleation prevails

  19. Ice formation via deposition nucleation on mineral dust and organics: dependence of onset relative humidity on total particulate surface area

    Energy Technology Data Exchange (ETDEWEB)

    Kanji, Zamin A; Florea, Octavian; Abbatt, Jonathan P D [Department of Chemistry, University of Toronto, 80 St George Street, Toronto, ON, M5S 3H6 (Canada)], E-mail: zkanji@chem.utoronto.ca

    2008-04-15

    We present ice nucleation results for Arizona test dust, kaolinite, montmorillonite, silica, silica coated with a hydrophobic octyl chain, oxalic acid dihydrate, Gascoyne leonardite (a humic material), and Aldrich humic acid (sodium salt). The focus was on deposition mode nucleation below water saturation at 233 K. Particles were deposited onto a hydrophobic cold stage by atomization of a slurry/solution and exposed to a constant partial pressure of water vapor. By lowering the temperature of the stage, the relative humidity with respect to ice (RH{sub i}) was gradually increased until ice nucleation was observed using digital photography. Different numbers of particles were deposited onto the cold stage by varying the atomization solution concentration and deposition time. For the same total particulate surface area, mineral dust particles nucleated ice at lower supersaturations than all other materials. The most hydrophobic materials, i.e. Gascoyne leonardite and octyl silica, were the least active. For our limit of detection of one ice crystal, the ice onset RH{sub i} values were dependent on the total surface area of the particulates, indicating that no unique threshold RH{sub i} for ice nucleation prevails.

  20. Crystallization of hard spheres revisited. II. Thermodynamic modeling, nucleation work, and the surface of tension.

    Science.gov (United States)

    Richard, David; Speck, Thomas

    2018-06-14

    Combining three numerical methods (forward flux sampling, seeding of droplets, and finite-size droplets), we probe the crystallization of hard spheres over the full range from close to coexistence to the spinodal regime. We show that all three methods allow us to sample different regimes and agree perfectly in the ranges where they overlap. By combining the nucleation work calculated from forward flux sampling of small droplets and the nucleation theorem, we show how to compute the nucleation work spanning three orders of magnitude. Using a variation of the nucleation theorem, we show how to extract the pressure difference between the solid droplet and ambient liquid. Moreover, combining the nucleation work with the pressure difference allows us to calculate the interfacial tension of small droplets. Our results demonstrate that employing bulk quantities yields inaccurate results for the nucleation rate.

  1. Nucleation and growth of C60 overlayers on the Ag/Pt(111) dislocation network surface

    International Nuclear Information System (INIS)

    Ait-Mansour, K; Ruffieux, P; Xiao, W; Fasel, R; Groening, P; Groening, O

    2007-01-01

    We have investigated the room temperature growth of C 60 overlayers on the strainrelief dislocation network formed by two monolayers of Ag on Pt(111) by means of scanning tunneling microscopy. Extended domains of highly ordered dislocation networks with a typical superlattice parameter of 6.8 nm have been prepared, serving as templates for subsequent C 60 depositions. For low C 60 coverages, the molecules decorate the step-edges, where also the first islands nucleate. This indicates that at room temperature the C 60 molecules are sufficiently mobile to cross the dislocation lines and to diffuse to the step-edges. For C 60 coverages of 0.4 monolayer, besides the islands nucleated at the step-edges, C 60 islands also grow in the middle of terraces. The C 60 islands typically extend over several unit cells of the dislocation network and show an unusual orientation of the hexagonally close-packed C 60 lattice as compared to that found on the bare Ag(111) surface. Whereas C 60 grows preferentially in a (2 √3 x 2 √3) R30 0 structure on Ag(111), on the Ag/Pt(111) dislocation network the C 60 lattice adopts an orientation rotated by 30 0 , with the close-packed C 60 rows aligned along the dislocations which themselves are aligned along the Ag(1-10) directions. For higher coverages in the range of 1-2 monolayers, the growth of C 60 continues in a layer-by-layer fashion

  2. Silica-Assisted Nucleation of Polymer Foam Cells with Nanoscopic Dimensions : Impact of Particle Size, Line Tension, and Surface Functionality

    NARCIS (Netherlands)

    Liu, Shanqiu; Eijkelenkamp, Rik; Duvigneau, Joost; Vancso, G. Julius

    2017-01-01

    Core-shell nanoparticles consisting of silica as core and surface-grafted poly(dimethylsiloxane) (PDMS) as shell with different diameters were prepared and used as heterogeneous nucleation agents to obtain CO2-blown poly(methyl methacrylate) (PMMA) nanocomposite foams. PDMS was selected as the shell

  3. Control of Reaction Surface in Low Temperature CVD to Enhance Nucleation and Conformal Coverage

    Science.gov (United States)

    Kumar, Navneet

    2009-01-01

    The Holy Grail in CVD community is to find precursors that can afford the following: good nucleation on a desired substrate and conformal deposition in high AR features. Good nucleation is not only necessary for getting ultra-thin films at low thicknesses; it also offers films that are smooth at higher thickness values. On the other hand,…

  4. Vapour–to–liquid nucleation: Nucleation theorems for nonisothermal–nonideal case

    Energy Technology Data Exchange (ETDEWEB)

    Malila, J.; McGraw, R.; Napari, I.; Laaksonen, A.

    2010-08-29

    Homogeneous vapour-to-liquid nucleation, a basic process of aerosol formation, is often considered as a type example of nucleation phenomena, while most treatment of the subject introduce several simplifying assumptions (ideal gas phase, incompressible nucleus, isothermal kinetics, size-independent surface free energy...). During last decades, nucleation theorems have provided new insights into properties of critical nuclei facilitating direct comparison between laboratory experiments and molecular simulations. These theorems are, despite of their generality, often applied in forms where the aforementioned assumptions are made. Here we present forms of nucleation theorems that explicitly take into account these effects and allow direct estimation of their importance. Only assumptions are Arrhenius-type kinetics of nucleation process and exclusion carrier gas molecules from the critical nucleus.

  5. Effect of surface free energies on the heterogeneous nucleation of water droplet: A molecular dynamics simulation approach

    Energy Technology Data Exchange (ETDEWEB)

    Xu, W.; Lan, Z.; Peng, B. L.; Wen, R. F.; Ma, X. H., E-mail: xuehuma@dlut.edu.cn [Liaoning Provincial Key Laboratory of Clean Utilization of Chemical Resources, Institute of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China)

    2015-02-07

    Heterogeneous nucleation of water droplet on surfaces with different solid-liquid interaction intensities is investigated by molecular dynamics simulation. The interaction potentials between surface atoms and vapor molecules are adjusted to obtain various surface free energies, and the nucleation process and wetting state of nuclei on surfaces are investigated. The results indicate that near-constant contact angles are already established for nano-scale nuclei on various surfaces, with the contact angle decreasing with solid-liquid interaction intensities linearly. Meanwhile, noticeable fluctuation of vapor-liquid interfaces can be observed for the nuclei that deposited on surfaces, which is caused by the asymmetric forces from vapor molecules. The formation and growth rate of nuclei are increasing with the solid-liquid interaction intensities. For low energy surface, the attraction of surface atoms to water molecules is comparably weak, and the pre-existing clusters can depart from the surface and enter into the bulk vapor phase. The distribution of clusters within the bulk vapor phase becomes competitive as compared with that absorbed on surface. For moderate energy surfaces, heterogeneous nucleation predominates and the formation of clusters within bulk vapor phase is suppressed. The effect of high energy particles that embedded in low energy surface is also discussed under the same simulation system. The nucleation preferably initiates on the high energy particles, and the clusters that formed on the heterogeneous particles are trapped around their original positions instead of migrating around as that observed on smooth surfaces. This feature makes it possible for the heterogeneous particles to act as fixed nucleation sites, and simulation results also suggest that the number of nuclei increases monotonously with the number of high energy particles. The growth of nuclei on high energy particles can be divided into three sub-stages, beginning with the formation

  6. Deconvoluting the effects of surface chemistry and nanoscale topography: Pseudomonas aeruginosa biofilm nucleation on Si-based substrates.

    Science.gov (United States)

    Zhang, Jing; Huang, Jinglin; Say, Carmen; Dorit, Robert L; Queeney, K T

    2018-06-01

    The nucleation of biofilms is known to be affected by both the chemistry and topography of the underlying substrate, particularly when topography includes nanoscale (topography vs. chemistry is complicated by concomitant variation in both as a result of typical surface modification techniques. Analyzing the behavior of biofilm-forming bacteria exposed to surfaces with systematic, independent variation of both topography and surface chemistry should allow differentiation of the two effects. Silicon surfaces with reproducible nanotopography were created by anisotropic etching in deoxygenated water. Surface chemistry was varied independently to create hydrophilic (OH-terminated) and hydrophobic (alkyl-terminated) surfaces. The attachment and proliferation of Psuedomonas aeruginosa to these surfaces was characterized over a period of 12 h using fluorescence and confocal microscopy. The number of attached bacteria as well as the structural characteristics of the nucleating biofilm were influenced by both surface nanotopography and surface chemistry. In general terms, the presence of both nanoscale features and hydrophobic surface chemistry enhance bacterial attachment and colonization. However, the structural details of the resulting biofilms suggest that surface chemistry and topography interact differently on each of the four surface types we studied. Copyright © 2018 Elsevier Inc. All rights reserved.

  7. New trends in the nucleation research

    Science.gov (United States)

    Anisimov, M. P.; Hopke, P. K.

    2017-09-01

    During the last half of century the most of efforts have been directed towards small molecule system modeling using intermolecular potentials. Summarizing the nucleation theory, it can be concluded that the nowadays theory is far from complete. The vapor-gas nucleation theory can produce values that deviate from the experimental results by several orders of magnitude currently. Experiments on the vapor-gas nucleation rate measurements using different devices show significant inconsistencies in the measured rates as well. Theoretical results generally are quite reasonable for sufficiently low vapor nucleation rates where the capillary approximation is applicable. In the present research the advantages and current problems of the vapor-gas nucleation experiments are discussed briefly and a view of the future studies is presented. Using the brake points of the first derivative for the nucleation rate surface as markers of the critical embryos phase change is fresh idea to show the gas-pressure effect for the nucleating vapor-gas systems. To test the accuracy of experimental techniques, it is important to have a standard system that can be measured over a range of nucleation conditions. Several results illustrate that high-pressure techniques are needed to study multi-channel nucleation. In practical applications, parametric theories can be used for the systems of interest. However, experimental measurements are still the best source of information on nucleation rates. Experiments are labor intensive and costly, and thus, it is useful to extend the value of limited experimental measurements to a broader range of nucleation conditions. Only limited experimental data one needs for use in normalizing the slopes of the linearized nucleation rate surfaces. The nucleation rate surface is described in terms of steady-state nucleation rates. It is supposed that several new measuring systems, such as High Pressure Flow Diffusion Chamber for pressure limit up to 150 bar will be

  8. Surface poisoning in the nucleation and growth of palladium atomic layer deposition with Pd(hfac){sub 2} and formalin

    Energy Technology Data Exchange (ETDEWEB)

    Goldstein, D.N. [Department of Chemistry and Biochemistry, University of Colorado, 215 UCB, Boulder, CO 80309 (United States); George, S.M., E-mail: Steven.George@Colorado.Edu [Department of Chemistry and Biochemistry, University of Colorado, 215 UCB, Boulder, CO 80309 (United States); Department of Chemical and Biological Engineering, University of Colorado, 424 UCB, Boulder, CO (United States)

    2011-06-01

    Palladium (Pd) atomic layer deposition (ALD) can be performed with Pd(hfac){sub 2} (hfac = hexafluoroacetyl-acetone) and formalin as the reactants. For Pd ALD on oxide surfaces, the nucleation of Pd ALD has been observed to require between 20 and 100 ALD cycles. To understand the long nucleation periods, this study explored the surface reactions occurring during Pd ALD nucleation and growth on hydroxylated Al{sub 2}O{sub 3} substrates. In situ Fourier transform infrared (FTIR) spectroscopy on high surface area nanopowders was used to observe the surface species. The adsorption of Pd(hfac){sub 2} on hydroxylated Al{sub 2}O{sub 3} substrates was found to yield both Pd(hfac)* and Al(hfac)* surface species. The identity of the Al(hfac)* species was confirmed by separate FTIR studies of hfacH adsorption on the hydroxylated Al{sub 2}O{sub 3} substrates. Isothermal loss of the Al(hfac)* species revealed second-order kinetics at 448-523 K with an activation barrier of E{sub d} = 39.4 kcal/mol. The lack of correlation between Al(hfac)* and AlOH* species during the loss of Al(hfac)* species suggested that the Al(hfac)* species may desorb as Al(hfac){sub 3}. After Pd(hfac){sub 2} exposure and the subsequent formalin exposure on hydroxylated Al{sub 2}O{sub 3} substrates, only hfac ligands from Pd(hfac)* species were removed from the surface. In addition, the formalin exposure added formate species. The Al(hfac)* species was identified as the cause of the long nucleation period because Al(hfac)* behaves as a site blocker. The surface poisoning by Al(hfac)* species was corroborated by adsorbing hfacH prior to the Pd(hfac){sub 2} exposures. The amount of Pd(hfac)* species after Pd(hfac){sub 2} exposures decreased progressively versus the previous hfacH exposure. Pd ALD occurred gradually during the subsequent Pd ALD cycles as the Al(hfac)* species were slowly removed from the Al{sub 2}O{sub 3} surface. Ex situ transmission electron microscopy analysis revealed Pd nanoclusters

  9. Nucleation and growth kinetics for intercalated islands during deposition on layered materials with isolated pointlike surface defects

    International Nuclear Information System (INIS)

    Han, Yong; Lii-Rosales, A.; Zhou, Y.; Wang, C.-J.

    2017-01-01

    Theory and stochastic lattice-gas modeling is developed for the formation of intercalated metal islands in the gallery between the top layer and the underlying layer at the surface of layered materials. Our model for this process involves deposition of atoms, some fraction of which then enter the gallery through well-separated pointlike defects in the top layer. Subsequently, these atoms diffuse within the subsurface gallery leading to nucleation and growth of intercalated islands nearby the defect point source. For the case of a single point defect, continuum diffusion equation analysis provides insight into the nucleation kinetics. However, complementary tailored lattice-gas modeling produces a more comprehensive and quantitative characterization. We analyze the large spread in nucleation times and positions relative to the defect for the first nucleated island. We also consider the formation of subsequent islands and the evolution of island growth shapes. The shapes reflect in part our natural adoption of a hexagonal close-packed island structure. As a result, motivation and support for the model is provided by scanning tunneling microscopy observations of the formation of intercalated metal islands in highly-ordered pyrolytic graphite at higher temperatures.

  10. The Dependence of CNT Aerogel Synthesis on Sulfur-driven Catalyst Nucleation Processes and a Critical Catalyst Particle Mass Concentration.

    Science.gov (United States)

    Hoecker, Christian; Smail, Fiona; Pick, Martin; Weller, Lee; Boies, Adam M

    2017-11-06

    The floating catalyst chemical vapor deposition (FC-CVD) process permits macro-scale assembly of nanoscale materials, enabling continuous production of carbon nanotube (CNT) aerogels. Despite the intensive research in the field, fundamental uncertainties remain regarding how catalyst particle dynamics within the system influence the CNT aerogel formation, thus limiting effective scale-up. While aerogel formation in FC-CVD reactors requires a catalyst (typically iron, Fe) and a promotor (typically sulfur, S), their synergistic roles are not fully understood. This paper presents a paradigm shift in the understanding of the role of S in the process with new experimental studies identifying that S lowers the nucleation barrier of the catalyst nanoparticles. Furthermore, CNT aerogel formation requires a critical threshold of Fe x C y  > 160 mg/m 3 , but is surprisingly independent of the initial catalyst diameter or number concentration. The robustness of the critical catalyst mass concentration principle is proved further by producing CNTs using alternative catalyst systems; Fe nanoparticles from a plasma spark generator and cobaltocene and nickelocene precursors. This finding provides evidence that low-cost and high throughput CNT aerogel routes may be achieved by decoupled and enhanced catalyst production and control, opening up new possibilities for large-scale CNT synthesis.

  11. Adsorption and structure of water on kaolinite surfaces: possible insight into ice nucleation from grand canonical monte carlo calculations.

    Science.gov (United States)

    Croteau, T; Bertram, A K; Patey, G N

    2008-10-30

    Grand canonical Monte Carlo calculations are used to determine water adsorption and structure on defect-free kaolinite surfaces as a function of relative humidity at 235 K. This information is then used to gain insight into ice nucleation on kaolinite surfaces. Results for both the SPC/E and TIP5P-E water models are compared and demonstrate that the Al-surface [(001) plane] and both protonated and unprotonated edges [(100) plane] strongly adsorb at atmospherically relevant relative humidities. Adsorption on the Al-surface exhibits properties of a first-order process with evidence of collective behavior, whereas adsorption on the edges is essentially continuous and appears dominated by strong water lattice interactions. For the protonated and unprotonated edges no structure that matches hexagonal ice is observed. For the Al-surface some of the water molecules formed hexagonal rings. However, the a o lattice parameter for these rings is significantly different from the corresponding constant for hexagonal ice ( Ih). A misfit strain of 14.0% is calculated between the hexagonal pattern of water adsorbed on the Al-surface and the basal plane of ice Ih. Hence, the ring structures that form on the Al-surface are not expected to be good building-blocks for ice nucleation due to the large misfit strain.

  12. In-situ observations of catalyst dynamics during surface-bound carbon nanotube nucleation

    DEFF Research Database (Denmark)

    Hofmann, S; Sharma, R; Du, G

    2007-01-01

    nanoparticles on SiOx support show crystalline lattice fringe contrast and high deformability before and during nanotube formation. A single-walled carbon nanotube nucleates by lift-off of a carbon cap. Cap stabilization and nanotube growth involve the dynamic reshaping of the catalyst nanocrystal itself...

  13. Diamond Nucleation Using Polyethene

    Science.gov (United States)

    Morell, Gerardo (Inventor); Makarov, Vladimir (Inventor); Varshney, Deepak (Inventor); Weiner, Brad (Inventor)

    2013-01-01

    The invention presents a simple, non-destructive and non-abrasive method of diamond nucleation using polyethene. It particularly describes the nucleation of diamond on an electrically viable substrate surface using polyethene via chemical vapor deposition (CVD) technique in a gaseous environment.

  14. Surface roughness effects on onset of nucleate boiling and net vapor generation point in subcooled flow boiling

    International Nuclear Information System (INIS)

    Ohtake, Hiroyasu; Wada, Noriyoshi; Koizumi, Yasuo

    2003-01-01

    The ability to predict void formation and void fraction in subcooled flow boiling is of importance to the nuclear reactor technology because the presence of voids affects the steady state and transient response of a reactor. The onset of nucleate boiling and the point of net vapor generation on subcooled flow boiling, focusing on surface roughness, liquid subcooling and liquid velocity were investigated experimentally and analytically. Experiments were conducted using a copper thin-film and subcooled water in a range of the liquid velocity from 0.27 to 4.6 m/s at 0.10MPa; the liquid subcoolings were 20, 30 and 40K, respectively. The surface roughness on the test heater was observed by SEM. Experimental results showed that temperatures at the onset nucleate boiling increased with increasing the liquid subcoolings or the liquid velocities. The trend of increase in the temperature at the ONB was in good agreement with the present analytical result based on the stability theory of preexisting nuclei. The measured results for the net vapor generation point agreed well with the results of correlation by Saha and Zuber in the range of the present experiments. The temperature at the ONB decreased with an increasing size of surface roughness, while the NVG-point was independent on the surface roughness. The dependence on the ONB temperature of the roughness size was also represented well by the present analytical model

  15. Experimental study of nucleate pool boiling heat transfer of water on silicon oxide nanoparticle coated copper heating surface

    International Nuclear Information System (INIS)

    Das, Sudev; Kumar, D.S.; Bhaumik, Swapan

    2016-01-01

    Highlights: • EBPVD approach was employed for fabrication of well-ordered nanoparticle coated micro/nanostructure on metal surface. • Nucleate boiling heat transfer performance on nanoparticle coated micro/nanostructure surface was experimentally studied. • Stability of nanoparticle coated surface under boiling environment was systematically studied. • 58% enhancement of boiling heat transfer coefficient was found. • Present experimental results are validated with well known boiling correlations. - Abstract: Electron beam physical vapor deposition (EBPVD) coating approach was employed for fabrication of well-ordered of nanoparticle coated micronanostructures on metal surfaces. This paper reports the experimental study of augmentation of pool boiling heat transfer performance and stabilities of silicon oxide nanoparticle coated surfaces with water at atmospheric pressure. The surfaces were characterized with respect to dynamic contact angle, surface roughness, topography, and morphology. The results were found that there is a reduction of about 36% in the incipience superheat and 58% enhancement in heat transfer coefficient for silicon oxide coated surface over the untreated surface. This enhancement might be the reason of enhanced wettability, enhanced surface roughness and increased number of a small artificial cavity on a heating surface. The performance and stability of nanoparticle coated micro/nanostructure surfaces were examined and found that after three runs of experiment the heat transfer coefficient with heat flux almost remain constant.

  16. A study on bubble detachment and the impact of heated surface structure in subcooled nucleate boiling flows

    International Nuclear Information System (INIS)

    Wu Wen; Chen Peipei; Jones, Barclay G.; Newell, Ty A.

    2008-01-01

    This study examines the bubble detachment phenomena under subcooled nucleate boiling conditions, in order to obtain a better understanding of the bubble dynamics on horizontal flat heat exchangers. Refrigerant R134a is chosen as a simulant fluid due to its merits of having smaller surface tension, reduced latent heat, and lower boiling temperature than water. Experiments are run with varying experimental parameters, e.g. pressure, inlet subcooled level, flow rate, etc. Digital images are obtained at frame rates up to 4000 frames/s, showing the characteristics of bubble movements. Bubble departure and bubble lift-off, which are described as bubbles detaching from the original nucleation sites and bubbles detaching from the horizontal heated surface respectively, are both considered and measured. Results are compared against the model proposed by Klausner et al. for the prediction of bubble detachment sizes. While good overall agreement is shown, it is suggested that finite rather than zero bubble contact area should be assumed, which improves the model prediction at the pressure range of 300-500 kPa while playing no significant role at a lower pressure of 150 kPa where the model was originally benchmarked. The impact of heated surface structure is studied whose results provide support to the above assumption

  17. The influence of surface morphology and oxide microstructure on the nucleation and growth of uranium hydride on alpha uranium

    International Nuclear Information System (INIS)

    Hanrahan, R.J. Jr.; Hawley, M.E.; Brown, G.W.

    1998-01-01

    While the bulk kinetics of the uranium-hydrogen reaction are well understood, the mechanisms underlying the initial nucleation of uranium hydride on uranium remain controversial. In this study, the authors have employed environmental cell optical microscopy, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy, (AFM) in an attempt to relate the structure of the surface and the microstructure of the substrate with the susceptibility and site of hydride nucleation. Samples have been investigated with varying grain size, inclusion (carbide) concentration, and thermal history. There is a clear correlation to heat treatment immediately prior to hydrogen exposure. Susceptibility to hydride formation also appears to be related to impurities in the uranium. The oxidized surface is very complex, exhibiting wide variations in thickness and topography between samples, between grains in the same sample, and within individual grains. It is, however, very difficult to relate this fine scale variability to the relatively sparse hydride initiation sites. Therefore, the surface oxide layer itself does not appear to control the sites where hydride attack is initiated, although it must play a role in the induction period prior to hydride initiation

  18. The influence of surface morphology and oxide microstructure on the nucleation and growth of uranium hydride on alpha uranium

    Energy Technology Data Exchange (ETDEWEB)

    Hanrahan, R.J. Jr.; Hawley, M.E.; Brown, G.W. [Los Alamos National Lab., NM (United States). Materials Science and Technology Div.

    1998-12-31

    While the bulk kinetics of the uranium-hydrogen reaction are well understood, the mechanisms underlying the initial nucleation of uranium hydride on uranium remain controversial. In this study the authors have employed environmental cell optical microscopy, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy, (AFM) in an attempt to relate the structure of the surface and the microstructure of the substrate with the susceptibility and site of hydride nucleation. Samples have been investigated with varying grain size, inclusion (carbide) concentration, and thermal history. There is a clear correlation to heat treatment immediately prior to hydrogen exposure. Susceptibility to hydride formation also appears to be related to impurities in the uranium. The oxidized surface is very complex, exhibiting wide variations in thickness and topography between samples, between grains in the same sample, and within individual grains. It is, however, very difficult to relate this fine scale variability to the relatively sparse hydride initiation sites. Therefore, the surface oxide layer itself does not appear to control the sites where hydride attack is initiated, although it must play a role in the induction period prior to hydride initiation.

  19. The influence of surface morphology and oxide microstructure on the nucleation and growth of uranium hydride on alpha uranium

    Energy Technology Data Exchange (ETDEWEB)

    Hanrahan, R.J. Jr.; Hawley, M.E.; Brown, G.W.

    1998-12-31

    While the bulk kinetics of the uranium-hydrogen reaction are well understood, the mechanisms underlying the initial nucleation of uranium hydride on uranium remain controversial. In this study, the authors have employed environmental cell optical microscopy, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy, (AFM) in an attempt to relate the structure of the surface and the microstructure of the substrate with the susceptibility and site of hydride nucleation. Samples have been investigated with varying grain size, inclusion (carbide) concentration, and thermal history. There is a clear correlation to heat treatment immediately prior to hydrogen exposure. Susceptibility to hydride formation also appears to be related to impurities in the uranium. The oxidized surface is very complex, exhibiting wide variations in thickness and topography between samples, between grains in the same sample, and within individual grains. It is, however, very difficult to relate this fine scale variability to the relatively sparse hydride initiation sites. Therefore, the surface oxide layer itself does not appear to control the sites where hydride attack is initiated, although it must play a role in the induction period prior to hydride initiation.

  20. Kinetics of heterogeneous nucleation of gas-atomized Sn-5 mass%Pb droplets

    International Nuclear Information System (INIS)

    Li Shu; Wu Ping; Zhou Wei; Ando, Teiichi

    2008-01-01

    A method for predicting the nucleation kinetics of gas-atomized droplets has been developed by combining models predicting the nucleation temperature of cooling droplets with a model simulating the droplet motion and cooling in gas atomization. Application to a Sn-5 mass%Pb alloy has yielded continuous-cooling transformation (CCT) diagrams for the heterogeneous droplet nucleation in helium gas atomization. Both internal nucleation caused by a catalyst present in the melt and surface nucleation caused by oxidation are considered. Droplets atomized at a high atomizing gas velocity get around surface oxidation and nucleate internally at high supercoolings. Low atomization gas velocities promote oxidation-catalyzed nucleation which leads to lower supercoolings. The developed method enables improved screening of atomized powders for critical applications where stringent control of powder microstructure is required

  1. Interfacial nucleation behavior of inkjet-printed 6,13 bis(tri-isopropylsilylethynyl) pentacene on dielectric surfaces

    International Nuclear Information System (INIS)

    Wang, Xianghua; Lv, Shenchen; Chen, Mengjie; Qiu, Longzhen; Zhang, Guobing; Lu, Hongbo; Yuan, Miao; Qin, Mengzhi

    2015-01-01

    The performance of organic thin film transistors (OTFTs) is heavily dependent on the interface property between the organic semiconductor and the dielectric substrate. Device fabrication with bottom-gate architecture by depositing the semiconductors with a solution method is highly recommended for cost-effectiveness. Surface modification of the dielectric layer is employed as an effective approach to control film growth. Here, we perform surface modification via a self-assembled monolayer of silanes, a spin-coated polymer layer or UV-ozone cleaning, to prepare surfaces with different surface polarities and morphologies. The semiconductor is inkjet-printed on the surface-treated substrates as single-line films with overlapping drop assignment. Surface morphologies of the dielectric before film deposition and film morphologies of the inkjet-printed semiconductor are characterized with polarized microscopy and AFM. Electrical properties of the films are studied through organic thin-film transistors with bottom-gate/bottom-contact structure. With reduced surface polarity and nanoscale aggregation of silane molecules on the substrates, semiconductor nucleates from the interior interface between the ink solution and the substrate, which contributes to film growth with higher crystal coverage and better film quality at the interface. Surface treatment with hydrophobic silanes is a promising approach to fabrication of high performance OTFTs with nonpolar conjugated molecules via solution methods

  2. Interfacial nucleation behavior of inkjet-printed 6,13 bis(tri-isopropylsilylethynyl) pentacene on dielectric surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xianghua, E-mail: xhwang@hfut.edu.cn; Lv, Shenchen; Chen, Mengjie; Qiu, Longzhen, E-mail: lzhqiu@hfut.edu.cn; Zhang, Guobing; Lu, Hongbo [Key Lab of Special Display Technology, Ministry of Education, National Engineering Lab of Special Display Technology, National Key Lab of Advanced Display Technology, Academy of Opto-Electronic Technology, Hefei University of Technology, Hefei 230009 (China); Yuan, Miao; Qin, Mengzhi [Key Lab of Special Display Technology, Ministry of Education, National Engineering Lab of Special Display Technology, National Key Lab of Advanced Display Technology, Academy of Opto-Electronic Technology, Hefei University of Technology, Hefei 230009 (China); School of Electronic Science and Applied Physics, Hefei University of Technology, Hefei 230009 (China)

    2015-01-14

    The performance of organic thin film transistors (OTFTs) is heavily dependent on the interface property between the organic semiconductor and the dielectric substrate. Device fabrication with bottom-gate architecture by depositing the semiconductors with a solution method is highly recommended for cost-effectiveness. Surface modification of the dielectric layer is employed as an effective approach to control film growth. Here, we perform surface modification via a self-assembled monolayer of silanes, a spin-coated polymer layer or UV-ozone cleaning, to prepare surfaces with different surface polarities and morphologies. The semiconductor is inkjet-printed on the surface-treated substrates as single-line films with overlapping drop assignment. Surface morphologies of the dielectric before film deposition and film morphologies of the inkjet-printed semiconductor are characterized with polarized microscopy and AFM. Electrical properties of the films are studied through organic thin-film transistors with bottom-gate/bottom-contact structure. With reduced surface polarity and nanoscale aggregation of silane molecules on the substrates, semiconductor nucleates from the interior interface between the ink solution and the substrate, which contributes to film growth with higher crystal coverage and better film quality at the interface. Surface treatment with hydrophobic silanes is a promising approach to fabrication of high performance OTFTs with nonpolar conjugated molecules via solution methods.

  3. Neutralized wettability effect of superhydrophilic Cr-layered surface on pool boiling critical heat flux

    International Nuclear Information System (INIS)

    Son, Hong Hyun; Jeong, Ui Ju; Seo, Gwang Hyeok; Jeun, Gyoo Dong; Kim, Sung Joong

    2016-01-01

    The former method is deemed challenging due to longer development period and license issue. In this regard, FeCrAl, Cr, and SiC have been received positive attention as ATF coating materials because they are highly resistant to high temperature steam reaction causing massive hydrogen generation. In this study, Cr was selected as a target deposition material on the metal substrate because we found that Cr-layered surface becomes superhydrophilic, favorable to delaying the triggering of the critical heat flux (CHF). Thus in order to investigate the effect of Cr-layered superhydrophilic surfaces (under explored coating conditions) on pool boiling heat transfer, pool boiling experiment was conducted in the saturated deionized water under atmospheric pressure. As a physical vapor deposition (PVD) method, the DC magnetron sputtering technique was introduced to develop Cr-layered nanostructure. As a control variable of DC sputtering, substrate temperature was selected. Surface wettability and nanostructure were analyzed as major surface parameters on the CHF. We believe that highly dense micro/nano structure without nucleation cavities and inner pores neutralized the wettability effect on the CHF. Moreover, superhydrophilic surface with deficient cavity density rather hinders active nucleation. This emphasizes the importance of micro/nano structure surface for enhanced boiling heat transfer.

  4. Nucleate pool boiling, film boiling and single-phase free convection at pressures up to the critical state. Part I: Integral heat transfer for horizontal copper cylinders

    Energy Technology Data Exchange (ETDEWEB)

    Gorenflo, Dieter; Baumhoegger, Elmar; Windmann, Thorsten; Herres, Gerhard [Institut fuer Energie- und Verfahrenstechnik, Universitaet Paderborn, Warburger Str. 100, D-33098 Paderborn (Germany)

    2010-11-15

    Transcritical working cycles for refrigerants have led to increased interest in heat transfer near the Critical State. In general, experimental results for this region differ significantly from those far from it because some fluid properties vary much more there than at a greater distance. In this paper, measurements for two-phase and single-phase free convective heat transfer from an electrically heated copper tube with 25 mm O.D. to refrigerant R125 are discussed for fluid states very close to the Critical Point and far from it. It is shown that heat transfer for film boiling slightly below and for free convection slightly above the critical pressure is very similar. The new - and also previous - experimental data for nucleate boiling, film boiling, and single-phase free convection are compared with calculated results between atmospheric and critical pressure. It can be concluded that the Principle of Corresponding States in its simplest form is very well suited to transfer the results to other refrigerants. In Part II, particular attention will be given to a minimum superheat for nucleate boiling and a maximum superheat for film boiling and single-phase free convection within the circumferential variation of the isobaric wall superheat on the lower parts of the tube. (author)

  5. Surface Immobilization of Human Arginase-1 with an Engineered Ice Nucleation Protein Display System in E. coli.

    Directory of Open Access Journals (Sweden)

    Zhen Zhang

    Full Text Available Ice nucleation protein (INP is frequently used as a surface anchor for protein display in gram-negative bacteria. Here, MalE and TorA signal peptides, and three charged polypeptides, 6×Lys, 6×Glu and 6×Asp, were anchored to the N-terminus of truncated INP (InaK-N to improve its surface display efficiency for human Arginase1 (ARG1. Our results indicated that the TorA signal peptide increased the surface translocation of non-protein fused InaK-N and human ARG1 fused InaK-N (InaK-N/ARG1 by 80.7% and 122.4%, respectively. Comparably, the MalE signal peptide decreased the display efficiencies of both the non-protein fused InaK-N and InaK-N/ARG1. Our results also suggested that the 6×Lys polypeptide significantly increased the surface display efficiency of K6-InaK-N/ARG1 by almost 2-fold, while also practically abolishing the surface translocation of non-protein fused InaK-N, indicating the interesting roles of charged polypeptides in bacteria surface display systems. Cell surface-immobilized K6-InaK-N/ARG1 presented an arginase activity of 10.7 U/OD600 under the optimized conditions of 40°C, pH 10.0 and 1 mM Mn2+, which could convert more than 95% of L-Arginine (L-Arg to L-Ornithine (L-Orn in 16 hours. The engineered InaK-Ns expanded the INP surface display system, which aided in the surface immobilization of human ARG1 in E. coli cells.

  6. Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals model.

    Science.gov (United States)

    Wahlberg, Nanna; Madsen, Anders Ø; Mikkelsen, Kurt V

    2018-06-09

    The nucleation processes of acetaminophen on poly(methyl methacrylate) and poly(vinyl acetate) have been investigated and the mechanisms of the processes are studied. This is achieved by a combination of theoretical models and computational investigations within the framework of a modified QM/MM method; a Coulomb-van der Waals model. We have combined quantum mechanical computations and electrostatic models at the atomistic level for investigating the stability of different orientations of acetaminophen on the polymer surfaces. Based on the Coulomb-van der Waals model, we have determined the most stable orientation to be a flat orientation, and the strongest interaction is seen between poly(vinyl acetate) and the molecule in a flat orientation in vacuum.

  7. Zn Electrodeposition on Single-Crystal GaN(0001 Surface: Nucleation and Growth Mechanism

    Directory of Open Access Journals (Sweden)

    Fei Peng

    2016-01-01

    Full Text Available The electrochemical deposition of zinc on single-crystal n-type GaN(0001 from a sulphate solution has been investigated on the basis of electrochemical techniques including cyclic voltammetry, chronoamperometry, and Tafel plot. The morphology and crystal structure of zinc deposits have been characterized by means of scanning electron microscopy, X-ray diffraction, and energy-dispersive X-ray analysis. The result has revealed that the deposition of Zn on GaN electrode commenced at a potential of −1.12 V versus Ag/AgCl. According to the Tafel plot, an exchange current density of ~0.132 mA cm−2 was calculated. In addition, the current transient measurements have shown that Zn deposition process followed the instantaneous nucleation in 10 mM ZnSO4 + 0.5 M Na2SO4 + 0.5 M H3BO3 (pH = 4.

  8. The influence of heterogeneous nucleation on the surface crystallization of guaifenesin from melt extrudates containing Eudragit L10055 or Acryl-EZE.

    Science.gov (United States)

    Bruce, Caroline D; Fegely, Kurt A; Rajabi-Siahboomi, Ali R; McGinity, James W

    2010-05-01

    The objective of this study was to investigate the influence of talc and humidity conditions during storage on the crystal growth of guaifenesin on the surface of melt-extruded matrix tablets. Tablets consisted of the model drug guaifenesin in a matrix of either Acryl-EZE(R) or Eudragit(R) L10055 and either no talc, 25% or 50% talc. After processing, the hot-melt-extruded matrix tablets were supersaturated with amorphous guaifenesin, which resulted in the development of guaifenesin drug crystals on exposed surfaces of the tablet during storage (all tablets were stored at 24 degrees C). A previously developed, quantitative test was used to assay for surface guaifenesin. In tablets with a drug-to-polymer ratio of 19:81, talc-containing tablets exhibited an earlier onset of crystal growth (storage at 17% relative humidity). The presence of talc also increased the amount of surface crystallization and was independent of the talc concentration, since the talc levels used in this study exceeded the critical nucleant concentration. Additional non-melting components did not have an additive effect on surface crystal growth. High humidity during storage (78%) increased guaifenesin crystallization, but moisture uptake of tablets did not correlate with increased drug recrystallization. When storage at 17% relative humidity was interrupted for 3days by storage at 78% relative humidity before the tablets were returned to their previous low RH storage conditions, crystal growth quickly increased during the high RH interval and remained at an elevated level throughout the remaining storage period. A similar intermediate period of low, 17% relative humidity in tablets stored before and after that time at 78% RH did not affect surface crystallization levels. The effects of humidity and talc on the crystallization of guaifenesin from melt-extruded dosage forms supersaturated with amorphous drug were ascribed to heterogeneous nucleation.

  9. Asymmetric, compressive, SiGe epilayers on Si grown by lateral liquid-phase epitaxy utilizing a distinction between dislocation nucleation and glide critical thicknesses

    Science.gov (United States)

    O'Reilly, Andrew J.; Quitoriano, Nathaniel

    2018-01-01

    Uniaxially strained Si1-xGex channels have been proposed as a solution for high mobility channels in next-generation MOSFETS to ensure continued device improvement as the benefits from further miniaturisation are diminishing. Previously proposed techniques to deposit uniaxially strained Si1-xGex epilayers on Si (0 0 1) substrates require multiple deposition steps and only yielded thin strips of uniaxially strained films. A lateral liquid-phase epitaxy (LLPE) technique was developed to deposit a blanket epilayer of asymmetrically strained Si97.4Ge2.6 on Si in a single step, where the epilayer was fully strained in the growth direction and 31% strain-relaxed in the orthogonal direction. The LLPE technique promoted the glide of misfit dislocations, which nucleated in a region with an orthogonal misfit dislocation network, into a region where the dislocation nucleation was inhibited. This created an array of parallel misfit dislocations which were the source of the asymmetric strain. By observing the thicknesses at which the dislocation network transitions from orthogonal to parallel and at which point dislocation glide is exhausted, the separate critical thicknesses for dislocation nucleation and dislocation glide can be determined.

  10. A dynamical theory of nucleation

    Science.gov (United States)

    Lutsko, James F.

    2013-05-01

    A dynamical theory of nucleation based on fluctuating hydrodynamics is described. It is developed in detail for the case of diffusion-limited nucleation appropriate to colloids and macro-molecules in solution. By incorporating fluctuations, realistic fluid-transport and realistic free energy models the theory is able to give a unified treatment of both the pre-critical development of fluctuations leading to a critical cluster as well as of post-critical growth. Standard results from classical nucleation theory are shown to follow in the weak noise limit while the generality of the theory allows for many extensions including the description of very high supersaturations (small clusters), multiple order parameters and strong-noise effects to name a few. The theory is applied to homogeneous and heterogeneous nucleation of a model globular protein in a confined volume and it is found that nucleation depends critically on the existence of long-wavelength, small-amplitude density fluctuations.

  11. The role of confined collagen geometry in decreasing nucleation energy barriers to intrafibrillar mineralization.

    Science.gov (United States)

    Kim, Doyoon; Lee, Byeongdu; Thomopoulos, Stavros; Jun, Young-Shin

    2018-03-06

    Mineralization of collagen is critical for the mechanical functions of bones and teeth. Calcium phosphate nucleation in collagenous structures follows distinctly different patterns in highly confined gap regions (nanoscale confinement) than in less confined extrafibrillar spaces (microscale confinement). Although the mechanism(s) driving these differences are still largely unknown, differences in the free energy for nucleation may explain these two mineralization behaviors. Here, we report on experimentally obtained nucleation energy barriers to intra- and extrafibrillar mineralization, using in situ X-ray scattering observations and classical nucleation theory. Polyaspartic acid, an extrafibrillar nucleation inhibitor, increases interfacial energies between nuclei and mineralization fluids. In contrast, the confined gap spaces inside collagen fibrils lower the energy barrier by reducing the reactive surface area of nuclei, decreasing the surface energy penalty. The confined gap geometry, therefore, guides the two-dimensional morphology and structure of bioapatite and changes the nucleation pathway by reducing the total energy barrier.

  12. Role of nucleation in nanodiamond film growth

    International Nuclear Information System (INIS)

    Lifshitz, Y.; Lee, C.H.; Wu, Y.; Zhang, W.J.; Bello, I.; Lee, S.T.

    2006-01-01

    Nanodiamond films were deposited using different microwave plasma chemical vapor deposition schemes following several nucleation pretreatment methods. The nucleation efficiency and the films structure were investigated using scanning and transmission electron microscopy and Raman spectroscopy. C 2 dimer growth (CH 4 and H 2 in 90% Ar) cannot nucleate diamond and works only on existing diamond surfaces. The methyl radical process (up to 20% CH 4 in H 2 ) allows some nucleation probability on appropriate substrates. Prolonged bias enhanced nucleation initiates both diamond nucleation and growth. C 2 dimer growth results in pure nanodiamond free of amorphous carbon, while prolonged bias enhanced nucleation forms an amorphous carbon/nanodiamond composite

  13. Engineering Surface Critical Behavior of (2 +1 )-Dimensional O(3) Quantum Critical Points

    Science.gov (United States)

    Ding, Chengxiang; Zhang, Long; Guo, Wenan

    2018-06-01

    Surface critical behavior (SCB) refers to the singularities of physical quantities on the surface at the bulk phase transition. It is closely related to and even richer than the bulk critical behavior. In this work, we show that three types of SCB universality are realized in the dimerized Heisenberg models at the (2 +1 )-dimensional O(3) quantum critical points by engineering the surface configurations. The ordinary transition happens if the surface is gapped in the bulk disordered phase, while the gapless surface state generally leads to the multicritical special transition, even though the latter is precluded in classical phase transitions because the surface is in the lower critical dimension. An extraordinary transition is induced by the ferrimagnetic order on the surface of the staggered Heisenberg model, in which the surface critical exponents violate the results of the scaling theory and thus seriously challenge our current understanding of extraordinary transitions.

  14. Nucleation phenomena at Suzuki phases

    International Nuclear Information System (INIS)

    Acosta-Najarro, D.; Jose Y, M.

    1982-01-01

    Crystal of NaCl doped with Mn present regions with an increase in nucleation densities when observed by surface gold decoration; this increase is related to the nucleation of the Suzuki phases which are induced by cooling of the crystal matrix. Calculations based on atomistic nucleation theory are developed to explain the increased nucleation density. Experiments were made to compare with the theoretical results. In particular the density of nuclei was measured as a function of the rate or arrival of atoms to the surface. Therefore, the changes in the nucleation densities are explained in terms of change in migration energies between the Suzuki phase and the NaCl matrix excluding the possibility of nucleation induced by point defects. (author)

  15. Surface crack nucleation and propagation in electrodeposited nanocrystalline Ni-P alloy during high cycle fatigue

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, Shigeaki; Kamata, Akiyuki [Department of Mechanical Engineering, Faculty of Engineering, Ashikaga Institute of Technology, 268-1 Omae, Ashikaga, Tochigi 326-8558 (Japan); Watanabe, Tadao, E-mail: skoba@ashitech.ac.j [Key Laboratory for Anisotropy and Texture of Materials, Northeastern University, Shenyang, 110004 (China)

    2010-07-01

    The morphology of specimen surface after fatigue fracture was evaluated in connection with grain orientation distribution and grain boundary microstructure to reveal a mechanism of fatigue fracture in nanocrystalline materials. The electrodeposited and sharply {l_brace}001{r_brace} textured Ni -2.0 mass% P alloy with the average grain size of ca. 45 nm and high fractions of low-angle and {Sigma}3 boundaries showed 2 times higher fatigue limit than electrodeposited microcrystalline Ni polycrystal. The surface features of fatigued specimen were classified into two different types of morphologies characterized as brittle fracture at the central area and as ductile fracture at the surrounding area.

  16. Critical phenomena at perfect and non-perfect surfaces

    International Nuclear Information System (INIS)

    Pleimling, M

    2004-01-01

    In the past, perfect surfaces have been shown to yield local critical behaviour that differs from bulk critical behaviour. On the other hand, surface defects, whether they are of natural origin or created artificially, are known to modify local quantities. It is therefore important to clarify whether these defects are relevant or irrelevant for the surface critical behaviour. The purpose of this review is two-fold. In the first part we summarize some of the important results on surface criticality at perfect surfaces. Special attention is thereby paid to new developments such as for example the study of the surface critical behaviour in systems with competing interactions or of surface critical dynamics. In the second part the effect of surface defects (presence of edges, steps, quenched randomness, lines of adatoms, regular geometric patterns) on local critical behaviour in semi-infinite systems and in thin films is discussed in detail. Whereas most of the defects commonly encountered are shown to be irrelevant, some notable exceptions are highlighted. It is shown furthermore that under certain circumstances non-universal local critical behaviour may be observed at surfaces. (topical review)

  17. Surface nucleation and independent growth of Ce(OH)4 within confinement space on modified carbon black surface to prepare nano-CeO2 without agglomeration

    Science.gov (United States)

    Zhang, Xinyue; Xia, Chunhui; Li, Kaitao; Lin, Yanjun

    2018-04-01

    Highly dispersed negative carboxyl groups can be formed on carbon black (CB) surface modified with strong nitric acid. Therefore positive cations can be uniformly absorbed by carboxyl groups and precipitated within a confinement space on modified CB surface to prepare highly dispersed nanomaterials. In this paper, the formation and dispersion status of surface negative carboxyl groups, adsorption status of Ce3+, surface confinement nucleation, crystallization and calcination process were studied by EDS, SEM, and laser particle size analysis. The results show that the carboxyl groups formed on modified CB surface are highly dispersed, and Ce3+ cations can be uniformly anchored by carboxyl groups. Therefore, highly dispersed Ce3+ can react with OH- within a confinement surface region to form positive nano-Ce(OH)4 nuclei which also can be adsorbed by electrostatic attraction. After independent growth of Ce(OH)4 without agglomeration, highly dispersed CeO2 nanoparticles without agglomeration can be prepared together with the help of effectively isolates by CO2 released in the combustion of CB.

  18. Probing Individual Ice Nucleation Events with Environmental Scanning Electron Microscopy

    Science.gov (United States)

    Wang, Bingbing; China, Swarup; Knopf, Daniel; Gilles, Mary; Laskin, Alexander

    2016-04-01

    Heterogeneous ice nucleation is one of the processes of critical relevance to a range of topics in the fundamental and the applied science and technologies. Heterogeneous ice nucleation initiated by particles proceeds where microscopic properties of particle surfaces essentially control nucleation mechanisms. Ice nucleation in the atmosphere on particles governs the formation of ice and mixed phase clouds, which in turn influence the Earth's radiative budget and climate. Heterogeneous ice nucleation is still insufficiently understood and poses significant challenges in predictive understanding of climate change. We present a novel microscopy platform allowing observation of individual ice nucleation events at temperature range of 193-273 K and relative humidity relevant for ice formation in the atmospheric clouds. The approach utilizes a home built novel ice nucleation cell interfaced with Environmental Scanning Electron Microscope (IN-ESEM system). The IN-ESEM system is applied for direct observation of individual ice formation events, determining ice nucleation mechanisms, freezing temperatures, and relative humidity onsets. Reported microanalysis of the ice nucleating particles (INP) include elemental composition detected by the energy dispersed analysis of X-rays (EDX), and advanced speciation of the organic content in particles using scanning transmission x-ray microscopy with near edge X-ray absorption fine structure spectroscopy (STXM/NEXAFS). The performance of the IN-ESEM system is validated through a set of experiments with kaolinite particles with known ice nucleation propensity. We demonstrate an application of the IN-ESEM system to identify and characterize individual INP within a complex mixture of ambient particles.

  19. On the Ice Nucleation Spectrum

    Science.gov (United States)

    Barahona, D.

    2012-01-01

    This work presents a novel formulation of the ice nucleation spectrum, i.e. the function relating the ice crystal concentration to cloud formation conditions and aerosol properties. The new formulation is physically-based and explicitly accounts for the dependency of the ice crystal concentration on temperature, supersaturation, cooling rate, and particle size, surface area and composition. This is achieved by introducing the concepts of ice nucleation coefficient (the number of ice germs present in a particle) and nucleation probability dispersion function (the distribution of ice nucleation coefficients within the aerosol population). The new formulation is used to generate ice nucleation parameterizations for the homogeneous freezing of cloud droplets and the heterogeneous deposition ice nucleation on dust and soot ice nuclei. For homogeneous freezing, it was found that by increasing the dispersion in the droplet volume distribution the fraction of supercooled droplets in the population increases. For heterogeneous ice nucleation the new formulation consistently describes singular and stochastic behavior within a single framework. Using a fundamentally stochastic approach, both cooling rate independence and constancy of the ice nucleation fraction over time, features typically associated with singular behavior, were reproduced. Analysis of the temporal dependency of the ice nucleation spectrum suggested that experimental methods that measure the ice nucleation fraction over few seconds would tend to underestimate the ice nuclei concentration. It is shown that inferring the aerosol heterogeneous ice nucleation properties from measurements of the onset supersaturation and temperature may carry significant error as the variability in ice nucleation properties within the aerosol population is not accounted for. This work provides a simple and rigorous ice nucleation framework where theoretical predictions, laboratory measurements and field campaign data can be

  20. On Capillary Rise and Nucleation

    Science.gov (United States)

    Prasad, R.

    2008-01-01

    A comparison of capillary rise and nucleation is presented. It is shown that both phenomena result from a balance between two competing energy factors: a volume energy and a surface energy. Such a comparison may help to introduce nucleation with a topic familiar to the students, capillary rise. (Contains 1 table and 3 figures.)

  1. Dimers in nucleating vapors

    Science.gov (United States)

    Lushnikov, A. A.; Kulmala, M.

    1998-09-01

    The dimer stage of nucleation may affect considerably the rate of the nucleation process at high supersaturation of the nucleating vapor. Assuming that the dimer formation limits the nucleation rate, the kinetics of the particle formation-growth process is studied starting with the definition of dimers as bound states of two associating molecules. The partition function of dimer states is calculated by summing the Boltzmann factor over all classical bound states, and the equilibrium population of dimers is found for two types of intermolecular forces: the Lennard-Jones (LJ) and rectangular well+hard core (RW) potentials. The principle of detailed balance is used for calculating the evaporation rate of dimers. The kinetics of the particle formation-growth process is then investigated under the assumption that the trimers are stable with respect to evaporation and that the condensation rate is a power function of the particle mass. If the power exponent λ=n/(n+1) (n is a non-negative integer), the kinetics of the process is described by a finite set of moments of particle mass distribution. When the characteristic time of the particle formation by nucleation is much shorter than that of the condensational growth, n+2 universal functions of a nondimensional time define the kinetic process. These functions are calculated for λ=2/3 (gas-to-particle conversion in the free molecular regime) and λ=1/2 (formation of islands on surfaces).

  2. Ice nucleation properties of mineral dusts

    OpenAIRE

    Steinke, Isabelle

    2013-01-01

    Ice nucleation in clouds has a significant impact on the global hydrological cycle as well as on the radiative budget of the Earth. The AIDA cloud chamber was used to investigate the ice nucleation efficiency of various atmospherically relevant mineral dusts. From experiments with Arizona Test Dust (ATD) a humidity and temperature dependent ice nucleation active surface site density parameterization was developed to describe deposition nucleation at temperatures above 220 K. Based...

  3. Critical reflection activation analysis - a new near-surface probe

    International Nuclear Information System (INIS)

    Gunn, J.M.F.; Trohidou, K.N.

    1988-09-01

    We propose a new surface analytic technique, Critical Reflection Activation Analysis (CRAA). This technique allows accurate depth profiling of impurities ≤ 100A beneath a surface. The depth profile of the impurity is simply related to the induced activity as a function of the angle of reflection. We argue that the technique is practical and estimate its accuracy. (author)

  4. Critical heat flux on micro-structured zircaloy surfaces for flow boiling of water at low pressures

    International Nuclear Information System (INIS)

    Haas, C.; Miassoedov, A.; Schulenberg, T.; Wetzel, T.

    2012-01-01

    The influence of surface structure on critical heat flux for flow boiling of water was investigated for Zircaloy tubes in a vertical annular test section. The objectives were to find suitable surface modification processes for Zircaloy tubes and to test their critical heat flux performance in comparison to the smooth tube. Surface structures with micro-channels, porous layer, oxidized layer, and elevations in micro- and nano-scale were produced on a section of a Zircaloy cladding tube. These modified tubes were tested in an internally heated vertical annulus with a heated length of 326 mm and an inner and outer diameter of 9.5 and 18 mm. The experiments were performed with mass fluxes of 250 and 400 kg/(m 2 s), outlet pressures between 120 and 300 kPa, and constant inlet subcooling enthalpy of 167 kJ/kg. Only a small influence of modified surface structures on critical heat flux was observed for the pressure of 120 kPa in the present test section geometry. However, with increasing pressure the critical heat flux could increase up to 29% using the surface structured tubes with micro-channels, porous and oxidized layers. Capillary effects and increased nucleation site density are assumed to improve the critical heat flux performance. (authors)

  5. Effects of surface modification on the critical behaviour in multiple-surface-layer ferroelectric thin films

    International Nuclear Information System (INIS)

    Lu, Z X

    2013-01-01

    Using the usual mean-field theory approximation, the critical behaviour (i.e. the Curie temperature T c and the critical surface transverse field Ω sc ) in a multiple-surface-layer ferroelectric thin film is studied on the basis of the spin- 1/2 transverse Ising model. The dependence of the Curie temperature T c on the surface transverse field Ω s and the surface layer number N s are discussed in detail. Meanwhile the dependence of the critical surface transverse field Ω sc on the surface layer number N s is also examined. The numerical results indicate that the critical behaviour of ferroelectric thin films is obviously affected by modifications of the surface transverse field Ω s and surface layer number N s .

  6. On the concept of critical surface excess of micellization.

    Science.gov (United States)

    Talens-Alesson, Federico I

    2010-11-16

    The critical surface excess of micellization (CSEM) should be regarded as the critical condition for micellization of ionic surfactants instead of the critical micelle concentration (CMC). There is a correspondence between the surface excesses Γ of anionic, cationic, and zwitterionic surfactants at their CMCs, which would be the CSEM values, and the critical association distance for ionic pair association calculated using Bjerrum's correlation. Further support to this concept is given by an accurate method for the prediction of the relative binding of alkali cations onto dodecylsulfate (NaDS) micelles. This method uses a relative binding strength parameter calculated from the values of surface excess Γ at the CMC of the alkali dodecylsulfates. This links both the binding of a given cation onto micelles and the onset for micellization of its surfactant salt. The CSEM concept implies that micelles form at the air-water interface unless another surface with greater affinity for micelles exists. The process would start when surfactant monomers are close enough to each other for ionic pairing with counterions and the subsequent assembly of these pairs becomes unavoidable. This would explain why the surface excess Γ values of different surfactants are more similar than their CMCs: the latter are just the bulk phase concentrations in equilibrium with chemicals with different hydrophobicity. An intriguing implication is that CSEM values may be used to calculate the actual critical distances of ionic pair formation for different cations, replacing Bjerrum's estimates, which only discriminate by the magnitude of the charge.

  7. The nucleation of vorticity by ions in superfluid 4He

    International Nuclear Information System (INIS)

    Muirhead, C.M.; Vinen, W.F.; Donnelly, R.J.

    1985-01-01

    The theory developed in Part I is extended to include a discussion of nucleation by negative ions in the presence of dissolved 3 He at a concentration such that at a low temperature the negative ion bubble is likely to have adsorbed on its surface either one or two 3 He atoms. It is argued that the adsorbed 3 He atom can change the nucleation rate for two reasons: the atom can modify the perturbation applied to the helium at the surface of the ions; and it can act as a source of energy. The second of these effects is explored in some detail. It is shown that the 3 He atom is probably less strongly bound to the ion than it would be to the core of a vortex line; furthermore the atom adsorbed onto the surface of the ion can exist in a number of excited states (Shikin states), which are thermally populated even at quite low temperatures. Therefore, when nucleation of a vortex takes place, the 3 He atom might move from the ion surface to the core of the vortex or simply from one Shikin state to another of lower energy; in either case there is a release of energy. The existence of this energy release means, first, that nucleation becomes energetically possible at a reduced ionic velocity and secondly, that the energy barrier opposing nucleation is reduced in size. Therefore the critical velocity for vortex nucleation is reduced, and, for a given supercritical velocity, the rate of nucleation is increased. Addition of a second 3 He atom would have a similar effect. Further experiments are required to check the detailed predictions of the theory. (author)

  8. Recent developments in the kinetic theory of nucleation.

    Science.gov (United States)

    Ruckenstein, E; Djikaev, Y S

    2005-12-30

    A review of recent progress in the kinetics of nucleation is presented. In the conventional approach to the kinetic theory of nucleation, it is necessary to know the free energy of formation of a new-phase particle as a function of its independent variables at least for near-critical particles. Thus the conventional kinetic theory of nucleation is based on the thermodynamics of the process. The thermodynamics of nucleation can be examined by using various approaches, such as the capillarity approximation, density functional theory, and molecular simulation, each of which has its own advantages and drawbacks. Relatively recently a new approach to the kinetics of nucleation was proposed [Ruckenstein E, Nowakowski B. J Colloid Interface Sci 1990;137:583; Nowakowski B, Ruckenstein E. J Chem Phys 1991;94:8487], which is based on molecular interactions and does not employ the traditional thermodynamics, thus avoiding such a controversial notion as the surface tension of tiny clusters involved in nucleation. In the new kinetic theory the rate of emission of molecules by a new-phase particle is determined with the help of a mean first passage time analysis. This time is calculated by solving the single-molecule master equation for the probability distribution function of a surface layer molecule moving in a potential field created by the rest of the cluster. The new theory was developed for both liquid-to-solid and vapor-to-liquid phase transitions. In the former case the single-molecule master equation is the Fokker-Planck equation in the phase space which can be reduced to the Smoluchowski equation owing to the hierarchy of characteristic time scales. In the latter case, the starting master equation is a Fokker-Planck equation for the probability distribution function of a surface layer molecule with respect to both its energy and phase coordinates. Unlike the case of liquid-to-solid nucleation, this Fokker-Planck equation cannot be reduced to the Smoluchowski equation

  9. Using Ice Nucleating Particles to Enable Desublimation on Chilled Substrates

    Science.gov (United States)

    O'Brien, Julia; Failor, Kevin; Bisbano, Caitlin; Mulroe, Megan; Nath, Saurabh; Vinatzer, Boris; Boreyko, Jonathan

    2017-11-01

    On a subfreezing surface, nucleating embryos usually form as supercooled condensate that later freeze into ice, as opposed to desublimation. Ice nucleating particles (INPs) have been widely used to freeze existing water; however, nobody has studied how they might affect the initial mode of nucleation. Here, we show that INPs deposited on a substrate can switch the mode of embryo nucleation to desublimation, rather than supercooled condensation. Deposition was achieved by evaporating a water droplet containing INPs on a hydrophobic silicon wafer. A Peltier stage was used to cool the wafer down inside of a controlled humidity chamber, such that the desired set point temperature correlated with the dew point and onset of nucleation. Beneath a critical surface temperature, microscopy indicated that desublimation occurred on the circular patch of deposited INPs, compared to supercooled condensation outside the circle. The hydrophobic surface was then patterned with hydrophilic stripe arrays, which facilitated the deposition of stripes of INPs via the same evaporation method. The resulting array of desublimating ice stripes created dry zones free of condensation or frost in the intermediate areas, as the hygroscopic ice stripes served as overlapping humidity sinks.

  10. Summations over equilaterally triangulated surfaces and the critical string measure

    International Nuclear Information System (INIS)

    Smit, D.J.; Lawrence Berkeley Lab., CA

    1992-01-01

    We propose a new approach to the summation over dynamically triangulated Riemann surfaces which does not rely on properties of the potential in a matrix model. Instead, we formulate a purely algebraic discretization of critical string path integral. This is combined with a technique which assigns to each equilateral triangulation of a two-dimensional surface a Riemann surface defined over a certain finite extension of the field of rational numbers, i.e. an arithmetic surface. Thus we establish a new formulated in which the sum over randomly triangulated surfaces defines an invariant measure on the moduli space of arithmetic surfaces. It is shown that because of this it is far from obvious that this measure for large genera approximates the measure defined by the continuum theory, i.e. Liouville theory or critical string theory. In low genus this subtlety does not exist. In the case of critical string theory we explicitly compute the volume of the moduli space of arithmetic surfaces in terms of the modular height function and show that for low genus it approximates correctly the continuum measure. We also discuss a continuum limit which bears some resemblance with a double scaling limit in matrix models. (orig.)

  11. Superheating in nucleate boiling calculated by the heterogeneous nucleation theory

    International Nuclear Information System (INIS)

    Gerum, E.; Straub, J.; Grigull, U.

    1979-01-01

    With the heterogeneous nucleation theory the superheating of the liquid boundary layer in nucleate boiling is described not only for the onset of nuclear boiling but also for the boiling crisis. The rate of superheat depends on the thermodynamic stability of the metastable liquid, which is influenced by the statistical fluctuations in the liquid and the nucleation at the solid surface. Because of the fact that the cavities acting as nuclei are too small for microscopic observation, the size and distribution function of the nuclei on the surface necessary for the determination of the probability of bubble formation cannot be detected by measuring techniques. The work of bubble formation reduced by the nuclei can be represented by a simple empirical function whose coefficients are determined from boiling experiments. Using this the heterogeneous nucleation theory describes the superheating of the liquid. Several fluids including refrigerants, liquid gases, organic liquids and water were used to check the theory. (author)

  12. Ge quantum dot arrays grown by ultrahigh vacuum molecular-beam epitaxy on the Si(001) surface: nucleation, morphology, and CMOS compatibility.

    Science.gov (United States)

    Yuryev, Vladimir A; Arapkina, Larisa V

    2011-09-05

    Issues of morphology, nucleation, and growth of Ge cluster arrays deposited by ultrahigh vacuum molecular beam epitaxy on the Si(001) surface are considered. Difference in nucleation of quantum dots during Ge deposition at low (≲600°C) and high (≳600°C) temperatures is studied by high resolution scanning tunneling microscopy. The atomic models of growth of both species of Ge huts--pyramids and wedges-- are proposed. The growth cycle of Ge QD arrays at low temperatures is explored. A problem of lowering of the array formation temperature is discussed with the focus on CMOS compatibility of the entire process; a special attention is paid upon approaches to reduction of treatment temperature during the Si(001) surface pre-growth cleaning, which is at once a key and the highest-temperature phase of the Ge/Si(001) quantum dot dense array formation process. The temperature of the Si clean surface preparation, the final high-temperature step of which is, as a rule, carried out directly in the MBE chamber just before the structure deposition, determines the compatibility of formation process of Ge-QD-array based devices with the CMOS manufacturing cycle. Silicon surface hydrogenation at the final stage of its wet chemical etching during the preliminary cleaning is proposed as a possible way of efficient reduction of the Si wafer pre-growth annealing temperature.

  13. Ge quantum dot arrays grown by ultrahigh vacuum molecular-beam epitaxy on the Si(001 surface: nucleation, morphology, and CMOS compatibility

    Directory of Open Access Journals (Sweden)

    Yuryev Vladimir

    2011-01-01

    Full Text Available Abstract Issues of morphology, nucleation, and growth of Ge cluster arrays deposited by ultrahigh vacuum molecular beam epitaxy on the Si(001 surface are considered. Difference in nucleation of quantum dots during Ge deposition at low (≲600°C and high (≳600°C temperatures is studied by high resolution scanning tunneling microscopy. The atomic models of growth of both species of Ge huts--pyramids and wedges-- are proposed. The growth cycle of Ge QD arrays at low temperatures is explored. A problem of lowering of the array formation temperature is discussed with the focus on CMOS compatibility of the entire process; a special attention is paid upon approaches to reduction of treatment temperature during the Si(001 surface pre-growth cleaning, which is at once a key and the highest-temperature phase of the Ge/Si(001 quantum dot dense array formation process. The temperature of the Si clean surface preparation, the final high-temperature step of which is, as a rule, carried out directly in the MBE chamber just before the structure deposition, determines the compatibility of formation process of Ge-QD-array based devices with the CMOS manufacturing cycle. Silicon surface hydrogenation at the final stage of its wet chemical etching during the preliminary cleaning is proposed as a possible way of efficient reduction of the Si wafer pre-growth annealing temperature.

  14. The mechanisms of transitions from natural convection and nucleate boiling to nucleate boiling or film boiling caused by rapid depressurization in highly subcooled water

    International Nuclear Information System (INIS)

    Sakurai, Akira; Shiotsu, Masahiro; Hata, Koichi; Fukuda, Katsuya

    1999-01-01

    The mechanisms of transient boiling process including the transitions to nucleate boiling or film boiling from initial heat fluxes, q in , in natural convection and nucleate boiling regimes caused by exponentially decreasing system pressure with various decreasing periods, τ p on a horizontal cylinder in a pool of highly subcooled water were clarified. The transient boiling processes with different characteristics were divided into three groups for low and intermediate q in in natural convection regime, and for high q in in nucleate boiling regime. The transitions at maximum heat fluxes from low q in in natural convection regime to stable nucleate boiling regime occurred independently of the τ p values. The transitions from intermediate and high q in values in natural convection and nucleate boiling to stable film boiling occurred for short τ p values, although those to stable nucleate boiling occurred for tong τ p values. The CHF and corresponding surface superheat values at which the transition to film boiling occurred were considerably lower and higher than the steady-state values at the corresponding pressure during the depressurization respectively. It was suggested that the transitions to stable film boiling at transient critical heat fluxes from intermediate q in in natural convection and from high q in in nucleate boiling for short τ p occur due to explosive-like heterogeneous spontaneous nucleation (HSN). The photographs of typical vapor behavior due to the HSN during depressurization from natural convection regime for short τ p were shown. (author)

  15. Mechanisms of nucleation in flashing flows

    International Nuclear Information System (INIS)

    Yan, F.; Giot, M.

    1989-01-01

    The mechanisms of nucleation have been analysed. Starting from the assumption that the activation of micro-cavities in the wall surfaces is the most probable nucleation mechanism in practical flashing system, the authors study in detail the nucleation in a micro-cavity. A three step nucleation criterion is proposed, namely: trapping cavity, activable cavity and active cavity. Then, a new nucleation model is presented. The output of the model is the prediction of the bubble departure frequency versus the thermodynamic state of the liquid and the geometry of the cavity. The model can also predict the nucleation site density if the nature of the wall and the surface roughness are know. The prediction have been successfully compared with some preliminary experimental results. By combining the present model with Jones'theory, the flashing inception is correctly predicted. The use of this nucleation model for the complete modelling of a flashing non-equilibrium flow is in progress

  16. Heterogeneous ice nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Bogdan, A. [Helsinki Univ. (Finland). Dept. of Physics

    1994-12-31

    The classical theory of heterogenous ice nucleation is reviewed in detail. The modelling of ice nucleation in the adsorbed water films on natural particles by analogous ice nucleation in adsorbed water films on the walls of porous media is discussed. Ice nucleation in adsorbed films of purewater and the HNO{sub 3}/H{sub 2}0 binary system on the surface of porous aerosol (SiO{sub 2}) was investigated using the method of NMR spectroscopy. The median freezing temperature and freezing temperature region were shown to be highly sensitive both to the average thickness of the adsorbed films and to the amount of adsorbed nitric acid. The character of the ice phase formation tends to approach that of bulk liquid with increasing adsorbed film thickness. Under the given conditions the thickness of the adsorbed films decreases with an increasing amount of adsorbed nitric acid molecules The molar concentration of nitric acid in the adsorbed films is very small (of the order of 10{sup -}3 10{sup -}2 (M/l)). Nitric acid molecules tend to adsorb on the surface of aerosol to a greater extent than in subsequent layers. The concentration is greatest in layers situated close to the surface and sharply decreases with the distance from the surface. The difference between the median freezing temperatures for adsorbed pure water and for the binary system was found to be about 9 K for films of equal thickness. This is about 150 times greater than the difference between the median freezing temperatures of bulk pure water and a solution with the same concentration of nitric acid. (orig.)

  17. Review: The nucleation of disorder

    International Nuclear Information System (INIS)

    Cahn, R.W.; Johnson, W.L.

    1986-01-01

    Four types of phase transformation that involve the conversion of crystalline phases into more disordered forms are reviewed: melting, disordering of superlattices, amorphization by diffusion between crystalline phases, and irradation amorphization. In the review emphasis is placed on evidence for the heterogeneous nucleation of the product phases; in this connection, the role of surfaces, antiphase domain boundaries, dislocations, vacancies, and grain boundaries is specifically discussed. All of these features have been either observed, or hypothesized, to play a role as heterogeneous nucleation sites in one or more of the four transformations. An attempt is made to draw parallels between nucleation mechanisms in the various processes

  18. Wetting-layer formation mechanisms of surface-directed phase separation under different quench depths with off-critical compositions in polymer binary mixture

    Science.gov (United States)

    Yan, Li-Tang; Xie, Xu-Ming

    2007-02-01

    Focusing on the off-critical condition, the quench depth dependence of surface-directed phase separation in the polymer binary mixture is numerically investigated by combination of the Cahn-Hilliard-Cook theory and the Flory-Huggins-de Gennes theory. Two distinct situations, i.e., for the wetting, the minority component is preferred by the surface and the majority component is preferred by the surface, are discussed in detail. The simulated results show that the formation mechanism of the wetting layer is affected by both the quench depth and the off-critical extent. Moreover, a diagram, illustrating the formation mechanisms of the wetting layer with various quench depths and compositions, is obtained on the basis of the simulated results. It is found that, when the minority component is preferred by the surface, the growth of the wetting layer can exhibit pure diffusion limited growth law, logarithmic growth law, and Lifshitz-Slyozov growth law. However, when the majority component is preferred by the surface, the wetting layer always grows logarithmically, regardless of the quench depth and the off-critical extent. It is interesting that the surface-induced nucleation can be observed in this case. The simulated results demonstrate that the surface-induced nucleation only occurs below a certain value of the quench depth, and a detailed range about it is calculated and indicated. Furthermore, the formation mechanisms of the wetting layer are theoretically analyzed in depth by the chemical potential gradient.

  19. Effects of Surface Modification of Nanodiamond Particles for Nucleation Enhancement during Its Film Growth by Microwave Plasma Jet Chemical Vapour Deposition Technique

    Directory of Open Access Journals (Sweden)

    Chii-Ruey Lin

    2014-01-01

    Full Text Available The seedings of the substrate with a suspension of nanodiamond particles (NDPs were widely used as nucleation seeds to enhance the growth of nanostructured diamond films. The formation of agglomerates in the suspension of NDPs, however, may have adverse impact on the initial growth period. Therefore, this paper was aimed at the surface modification of the NDPs to enhance the diamond nucleation for the growth of nanocrystalline diamond films which could be used in photovoltaic applications. Hydrogen plasma, thermal, and surfactant treatment techniques were employed to improve the dispersion characteristics of detonation nanodiamond particles in aqueous media. The seeding of silicon substrate was then carried out with an optimized spin-coating method. The results of both Fourier transform infrared spectroscopy and dynamic light scattering measurements demonstrated that plasma treated diamond nanoparticles possessed polar surface functional groups and attained high dispersion in methanol. The nanocrystalline diamond films deposited by microwave plasma jet chemical vapour deposition exhibited extremely fine grain and high smooth surfaces (~6.4 nm rms on the whole film. These results indeed open up a prospect of nanocrystalline diamond films in solar cell applications.

  20. Critical assessment of Pt surface energy - An atomistic study

    Science.gov (United States)

    Kim, Jin-Soo; Seol, Donghyuk; Lee, Byeong-Joo

    2018-04-01

    Despite the fact that surface energy is a fundamental quantity in understanding surface structure of nanoparticle, the results of experimental measurements and theoretical calculations for the surface energy of pure Pt show a wide range of scattering. It is necessary to further ensure the surface energy of Pt to find the equilibrium shape and atomic configuration in Pt bimetallic nanoparticles accurately. In this article, we critically assess and optimize the Pt surface energy using a semi-empirical atomistic approach based on the second nearest-neighbor modified embedded-atom method interatomic potential. That is, the interatomic potential of pure Pt was adjusted in a way that the surface segregation tendency in a wide range of Pt binary alloys is reproduced in accordance with experimental information. The final optimized Pt surface energy (mJ/m2) is 2036 for (100) surface, 2106 for (110) surface, and 1502 for (111) surface. The potential can be utilized to find the equilibrium shape and atomic configuration of Pt bimetallic nanoparticles more accurately.

  1. Nucleate boiling heat transfer

    Energy Technology Data Exchange (ETDEWEB)

    Saiz Jabardo, J.M. [Universidade da Coruna (Spain). Escola Politecnica Superior], e-mail: mjabardo@cdf.udc.es

    2009-07-01

    Nucleate boiling heat transfer has been intensely studied during the last 70 years. However boiling remains a science to be understood and equated. In other words, using the definition given by Boulding, it is an 'insecure science'. It would be pretentious of the part of the author to explore all the nuances that the title of the paper suggests in a single conference paper. Instead the paper will focus on one interesting aspect such as the effect of the surface microstructure on nucleate boiling heat transfer. A summary of a chronological literature survey is done followed by an analysis of the results of an experimental investigation of boiling on tubes of different materials and surface roughness. The effect of the surface roughness is performed through data from the boiling of refrigerants R-134a and R-123, medium and low pressure refrigerants, respectively. In order to investigate the extent to which the surface roughness affects boiling heat transfer, very rough surfaces (4.6 {mu}m and 10.5 {mu}m ) have been tested. Though most of the data confirm previous literature trends, the very rough surfaces present a peculiar behaviour with respect to that of the smoother surfaces (Ra<3.0 {mu}m). (author)

  2. Nucleate boiling heat transfer

    International Nuclear Information System (INIS)

    Saiz Jabardo, J.M.

    2009-01-01

    Nucleate boiling heat transfer has been intensely studied during the last 70 years. However boiling remains a science to be understood and equated. In other words, using the definition given by Boulding, it is an 'insecure science'. It would be pretentious of the part of the author to explore all the nuances that the title of the paper suggests in a single conference paper. Instead the paper will focus on one interesting aspect such as the effect of the surface microstructure on nucleate boiling heat transfer. A summary of a chronological literature survey is done followed by an analysis of the results of an experimental investigation of boiling on tubes of different materials and surface roughness. The effect of the surface roughness is performed through data from the boiling of refrigerants R-134a and R-123, medium and low pressure refrigerants, respectively. In order to investigate the extent to which the surface roughness affects boiling heat transfer, very rough surfaces (4.6 μm and 10.5 μm ) have been tested. Though most of the data confirm previous literature trends, the very rough surfaces present a peculiar behaviour with respect to that of the smoother surfaces (Ra<3.0 μm). (author)

  3. Protein crystal nucleation in pores.

    Science.gov (United States)

    Nanev, Christo N; Saridakis, Emmanuel; Chayen, Naomi E

    2017-01-16

    The most powerful method for protein structure determination is X-ray crystallography which relies on the availability of high quality crystals. Obtaining protein crystals is a major bottleneck, and inducing their nucleation is of crucial importance in this field. An effective method to form crystals is to introduce nucleation-inducing heterologous materials into the crystallization solution. Porous materials are exceptionally effective at inducing nucleation. It is shown here that a combined diffusion-adsorption effect can increase protein concentration inside pores, which enables crystal nucleation even under conditions where heterogeneous nucleation on flat surfaces is absent. Provided the pore is sufficiently narrow, protein molecules approach its walls and adsorb more frequently than they can escape. The decrease in the nucleation energy barrier is calculated, exhibiting its quantitative dependence on the confinement space and the energy of interaction with the pore walls. These results provide a detailed explanation of the effectiveness of porous materials for nucleation of protein crystals, and will be useful for optimal design of such materials.

  4. Truncated Dual-Cap Nucleation Site Development

    Science.gov (United States)

    Matson, Douglas M.; Sander, Paul J.

    2012-01-01

    During heterogeneous nucleation within a metastable mushy-zone, several geometries for nucleation site development must be considered. Traditional spherical dual cap and crevice models are compared to a truncated dual cap to determine the activation energy and critical cluster growth kinetics in ternary Fe-Cr-Ni steel alloys. Results of activation energy results indicate that nucleation is more probable at grain boundaries within the solid than at the solid-liquid interface.

  5. Nucleation Characteristics in Physical Experiments/explosions

    International Nuclear Information System (INIS)

    Henry, R.E.; Fauske, Hans K.

    1976-01-01

    Large-scale vapor explosion experiments have shown that intimate contact between hot and cold liquids, and a temperature upon contact that is greater than the spontaneous nucleation temperature of the system, are two necessary conditions for the onset of large scale vapor explosions. A model, based on spontaneous nucleation of the homogeneous type, has been proposed to describe the relevant processes and the resulting energetics for explosive boiling systems. The model considers that spontaneous nucleation cannot occur either during the relief time for constant volume heating or until the thermal boundary layer is sufficiently thick to support a vapor cavity of the critical size. After nucleation, bubble growth does not occur until an acoustic wave establishes a pressure gradient in the cold liquid. These considerations lead to the prediction that, for a given temperature, drops greater than a critical size will remain in film boiling due to coalescence of vapor nuclei and drops smaller than this value will wet and be captured by the hot liquid surface. These results are compared to small drop data for well-wetted systems and excellent agreement is obtained between the observed behavior and the model predictions. In conclusion: A model, based on spontaneous nucleation, has been proposed to describe vaporization potential and behavior upon contact in a liquid/liquid system. This behavior is determined by the size of the liquid mass, single-phase pressurization and acoustic relief, nucleation frequency due to random density fluctuations, the initiation of unstable growth and acoustic relief, and the development of the thermal boundary layer in the cold liquid. The proposed model predicts that the stability of a given size drop upon intimate contact with another liquid is extremely dependent upon the interface temperature. For low interface temperatures, large masses will be captured by the hot liquid and the resulting vaporization rates will be extremely low because

  6. Investigation of bubble flow regimes in nucleate boiling of highly-wetting liquids

    International Nuclear Information System (INIS)

    Tong, W.; Bar-Cohen, A.; Simon, T.W.

    1991-01-01

    This paper describes an investigation of the bubble flow regimes in nucleate boiling of FC-72, a highly-wetting liquid. Theoretically analysis of vapor bubble generation and departure from the heated surface reveals that the heat fluxes required for the merging of consecutive bubbles, for highly-wetting liquids, lie in the upper range of the nucleate boiling heat flux. A visual and photographic study of nucleate boiling from sputtered platinum surfaces has supported the theoretical results and shown that the isolated bubble behavior extends to at least 50-80% of the critical heat flux, considerably higher than observed by others with water. Lateral coalescence of adjacent bubbles has been found to be a more likely cause of the termination of the isolated bubble regime. These findings suggest that thermal transport models which are based on isolated bubble behavior may be applicable to nearly the entire range of nucleate boiling of electronic cooling fluids

  7. Effect of surface modification of nanofibres with glutamic acid peptide on calcium phosphate nucleation and osteogenic differentiation of marrow stromal cells.

    Science.gov (United States)

    Karaman, Ozan; Kumar, Ankur; Moeinzadeh, Seyedsina; He, Xuezhong; Cui, Tong; Jabbari, Esmaiel

    2016-02-01

    Biomineralization is mediated by extracellular matrix (ECM) proteins with amino acid sequences rich in glutamic acid. The objective of this study was to investigate the effect of calcium phosphate deposition on aligned nanofibres surface-modified with a glutamic acid peptide on osteogenic differentiation of rat marrow stromal cells. Blend of EEGGC peptide (GLU) conjugated low molecular weight polylactide (PLA) and high molecular weight poly(lactide-co-glycolide) (PLGA) was electrospun to form aligned nanofibres (GLU-NF). The GLU-NF microsheets were incubated in a modified simulated body fluid for nucleation of calcium phosphate crystals on the fibre surface. To achieve a high calcium phosphate to fibre ratio, a layer-by-layer approach was used to improve diffusion of calcium and phosphate ions inside the microsheets. Based on dissipative particle dynamics simulation of PLGA/PLA-GLU fibres, > 80% of GLU peptide was localized to the fibre surface. Calcium phosphate to fibre ratios as high as 200%, between those of cancellous (160%) and cortical (310%) bone, was obtained with the layer-by-layer approach. The extent of osteogenic differentiation and mineralization of marrow stromal cells seeded on GLU-NF microsheets was directly related to the amount of calcium phosphate deposition on the fibres prior to cell seeding. Expression of osteogenic markers osteopontin, alkaline phosphatase (ALP), osteocalcin and type 1 collagen increased gradually with calcium phosphate deposition on GLU-NF microsheets. Results demonstrate that surface modification of aligned synthetic nanofibres with EEGGC peptide dramatically affects nucleation and growth of calcium phosphate crystals on the fibres leading to increased osteogenic differentiation of marrow stromal cells and mineralization. Copyright © 2013 John Wiley & Sons, Ltd.

  8. Dynamics of homogeneous nucleation

    DEFF Research Database (Denmark)

    Toxværd, Søren

    2015-01-01

    The classical nucleation theory for homogeneous nucleation is formulated as a theory for a density fluctuation in a supersaturated gas at a given temperature. But molecular dynamics simulations reveal that it is small cold clusters which initiates the nucleation. The temperature in the nucleating...

  9. Critical bifurcation surfaces of 3D discrete dynamics

    Directory of Open Access Journals (Sweden)

    Michael Sonis

    2000-01-01

    Full Text Available This paper deals with the analytical representation of bifurcations of each 3D discrete dynamics depending on the set of bifurcation parameters. The procedure of bifurcation analysis proposed in this paper represents the 3D elaboration and specification of the general algorithm of the n-dimensional linear bifurcation analysis proposed by the author earlier. It is proven that 3D domain of asymptotic stability (attraction of the fixed point for a given 3D discrete dynamics is bounded by three critical bifurcation surfaces: the divergence, flip and flutter surfaces. The analytical construction of these surfaces is achieved with the help of classical Routh–Hurvitz conditions of asymptotic stability. As an application the adjustment process proposed by T. Puu for the Cournot oligopoly model is considered in detail.

  10. Nucleation of relativistic first-order phase transitions

    International Nuclear Information System (INIS)

    Csernai, L.P.; Kapusta, J.I.

    1992-01-01

    The authors apply the general formalism of Langer to compute the nucleation rate for systems of relativistic particles with zero or small baryon number density and which undergo first-order phase transitions. In particular, the pre-exponential factor is computed and it is proportional to the viscosity. The initial growth rate of a critical size bubble or droplet is limited by the ability of dissipative processes to transport latent heat away from the surface. 30 refs., 4 figs

  11. Nuclear fragmentation by nucleation approach

    International Nuclear Information System (INIS)

    Chung, K.C.

    1992-01-01

    The nucleation model is used to simulate nuclear fragmentation processes. The critical value of the effective interaction radius is shown to vary linearly with the expansion factor α. The calculated mass and charge distributions are compared with some experimental data. (author)

  12. Evaluation of onset of nucleate boiling models

    Energy Technology Data Exchange (ETDEWEB)

    Huang, LiDong [Heat Transfer Research, Inc., College Station, TX (United States)], e-mail: lh@htri.net

    2009-07-01

    This article discusses available models and correlations for predicting the required heat flux or wall superheat for the Onset of Nucleate Boiling (ONB) on plain surfaces. It reviews ONB data in the open literature and discusses the continuing efforts of Heat Transfer Research, Inc. in this area. Our ONB database contains ten individual sources for ten test fluids and a wide range of operating conditions for different geometries, e.g., tube side and shell side flow boiling and falling film evaporation. The article also evaluates literature models and correlations based on the data: no single model in the open literature predicts all data well. The prediction uncertainty is especially higher in vacuum conditions. Surface roughness is another critical criterion in determining which model should be used. However, most models do not directly account for surface roughness, and most investigators do not provide surface roughness information in their published findings. Additional experimental research is needed to improve confidence in predicting the required wall superheats for nucleation boiling for engineering design purposes. (author)

  13. Evaluation of onset of nucleate boiling models

    International Nuclear Information System (INIS)

    Huang, LiDong

    2009-01-01

    This article discusses available models and correlations for predicting the required heat flux or wall superheat for the Onset of Nucleate Boiling (ONB) on plain surfaces. It reviews ONB data in the open literature and discusses the continuing efforts of Heat Transfer Research, Inc. in this area. Our ONB database contains ten individual sources for ten test fluids and a wide range of operating conditions for different geometries, e.g., tube side and shell side flow boiling and falling film evaporation. The article also evaluates literature models and correlations based on the data: no single model in the open literature predicts all data well. The prediction uncertainty is especially higher in vacuum conditions. Surface roughness is another critical criterion in determining which model should be used. However, most models do not directly account for surface roughness, and most investigators do not provide surface roughness information in their published findings. Additional experimental research is needed to improve confidence in predicting the required wall superheats for nucleation boiling for engineering design purposes. (author)

  14. Geometrical critical phenomena on a random surface of arbitrary genus

    International Nuclear Information System (INIS)

    Duplantier, B.; Kostov, I.K.

    1990-01-01

    The statistical mechanics of self-avoiding walks (SAW) or of the O(n)-loop model on a two-dimensional random surface are shown to be exactly solvable. The partition functions of SAW and surface configurations (possibly in the presence of vacuum loops) are calculated by planar diagram enumeration techniques. Two critical regimes are found: a dense phase where the infinite walks and loops fill the infinite surface, the non-filled part staying finite, and a dilute phase where the infinite surface singularity on the one hand, and walk and loop singularities on the other, merge together. The configuration critical exponents of self-avoiding networks of any fixed topology G, on a surface with arbitrary genus H, are calculated as universal functions of G and H. For self-avoiding walks, the exponents are built from an infinite set of basic conformal dimensions associated with central charges c = -2 (dense phase) and c = 0 (dilute phase). The conformal spectrum Δ L , L ≥ 1 associated with L-leg star polymers is calculated exactly, for c = -2 and c = 0. This is generalized to the set of L-line 'watermelon' exponents Δ L of the O(n) model on a random surface. The divergences of the partition functions of self-avoiding networks on the random surface, possibly in the presence of vacuum loops, are shown to satisfy a factorization theorem over the vertices of the network. This provides a proof, in the presence of a fluctuating metric, of a result conjectured earlier in the standard plane. From this, the value of the string susceptibility γ str (H,c) is extracted for a random surface of arbitrary genus H, bearing a field theory of central charge c, or equivalently, embedded in d=c dimensions. Lastly, by enumerating spanning trees on a random lattice, we solve the similar problem of hamiltonian walks on the (fluctuating) Manhattan covering lattice. We also obtain new results for dilute trees on a random surface. (orig./HSI)

  15. Enhanced pool boiling critical heat flux induced by capillary wicking effect of a Cr-sputtered superhydrophilic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Son, Hong Hyun; Seo, Gwang Hyeok; Kim, Sung Joong [Hanyang University, Seoul (Korea, Republic of)

    2016-10-15

    In light of boiling heat transfer, the smooth surface potentially reduces active nucleation of bubbles and rewetting of dry spots near the critical heat flux (CHF). This kind of process is highly likely to deteriorate the CHF. Thus, it is essential to produce appropriate microstructures on the surface for the enhancement of the CHF. In this study, to investigate the microstructural effect of thin film-fabricated surfaces on the pool boiling CHF, we controlled the surface roughness in a narrow range of 0.1-0.25 μm and its morphologies, in the form of micro-scratches using PVD sputtering technique. Specifically for DC magnetron sputtering, pure chromium (Cr) was selected as a target material owing to its high oxidation resistance. In order to analyze the CHF trend with changes in roughness, we introduced existing capillary wicking-based models because superhydrophilic characteristics of microstructures are highly related to the capillary wicking behaviors in micro-flow channels. After Cr sputtering under given conditions, the Cr-sputtered surfaces showed superhydrophilic characteristics and its capability became more enhanced with an increase of surface roughness. Judging from spreading behavior of a liquid droplet, the presence of micro-wicking channels, coupled with Cr nanostructures, effectively enhanced the advancing rate of drop base diameter. The CHF exhibited an increasing trend with increasing surface roughness. However, the enhancement ratio agreed poorly with the predictions of the roughness factor-based models, all of which originated from a conventional static force balance.

  16. Planar nucleation and crystallization in the annealing process of ion implanted silicon

    International Nuclear Information System (INIS)

    Luo Yimin; Chen Zhenhua; Chen Ding

    2010-01-01

    According to thermodynamic and kinetic theory, considering the variation of bulk free energy and superficial energy after nucleation as well as the migration of atoms, we study systematically the planar nucleation and crystallization that relate to two possible transition mechanisms in the annealing process of ion implanted Si: (1) liquid/solid transition: the critical nucleation work is equal to half the increased superficial energy and inversely proportional to the supercooling ΔT. Compared with bulk nucleation, the radius of the critical nucleus decreases by half, and the nucleation rate attains its maximum at T = T m /2. (2) amorphous/crystalline transition: the atoms contained in the critical nucleus and situated on its surface, as well as critical nucleation work, are all directly proportional to the height of the nucleus, and the nucleation barrier is equal to half the superficial energy too. In addition, we take SiGe semiconductor as a specific example for calculation; a value of 0.03 eV/atom is obtained for the elastic strain energy, and a more reasonable result can be gotten after taking into account its effect on transition Finally, we reach the following conclusion as a result of the calculation: for the annealing of ion implanted Si, no matter what the transition method is-liquid or solid planar nucleation-the recrystallization process is actually carried out layer by layer on the crystal substrate, and the probability of forming a 'rod-like' nucleus is much larger than that of a 'plate-like' nucleus. (semiconductor materials)

  17. Thermodynamic and Dynamic Aspects of Ice Nucleation

    Science.gov (United States)

    Barahona, Donifan

    2018-01-01

    It is known that ice nucleating particles (INP) immersed within supercooled droplets promote the formation of ice. Common theoretical models used to represent this process assume that the immersed particle lowers the work of ice nucleation without significantly affecting the dynamics of water in the vicinity of the particle. This is contrary to evidence showing that immersed surfaces significantly affect the viscosity and diffusivity of vicinal water. To study how this may affect ice formation this work introduces a model linking the ice nucleation rate to the modification of the dynamics and thermodynamics of vicinal water by immersed particles. It is shown that INP that significantly reduce the work of ice nucleation also pose strong limitations to the growth of the nascent ice germs. This leads to the onset of a new ice nucleation regime, called spinodal ice nucleation, where the dynamics of ice germ growth instead of the ice germ size determines the nucleation rate. Nucleation in this regime is characterized by an enhanced sensitivity to particle area and cooling rate. Comparison of the predicted ice nucleation rate against experimental measurements for a diverse set of species relevant to cloud formation suggests that spinodal ice nucleation may be common in nature.

  18. Viscosity of interfacial water regulates ice nucleation

    International Nuclear Information System (INIS)

    Li, Kaiyong; Chen, Jing; Zhang, Qiaolan; Zhang, Yifan; Xu, Shun; Zhou, Xin; Cui, Dapeng; Wang, Jianjun; Song, Yanlin

    2014-01-01

    Ice formation on solid surfaces is an important phenomenon in many fields, such as cloud formation and atmospheric icing, and a key factor for applications in preventing freezing. Here, we report temperature-dependent nucleation rates of ice for hydrophilic and hydrophobic surfaces. The results show that hydrophilic surface presents a lower ice nucleation rate. We develop a strategy to extract the thermodynamic parameters, J 0 and Γ, in the context of classical nucleation theory. From the extracted J 0 and Γ, we reveal the dominant role played by interfacial water. The results provide an insight into freezing mechanism on solid surfaces

  19. Delays due to gas diffusion in flash boiling nucleation

    International Nuclear Information System (INIS)

    Hanbury, W.T.; McCartney, W.S.

    1976-01-01

    A theoretical model to account for the time delay between decompression and nucleation in flash boiling is presented and analyzed. It shows that gas diffusion can be responsible for delayed nucleation when the critical radius for nucleation and the suspended particle size are of the same order of magnitude

  20. Ice nucleation triggered by negative pressure.

    Science.gov (United States)

    Marcolli, Claudia

    2017-11-30

    Homogeneous ice nucleation needs supercooling of more than 35 K to become effective. When pressure is applied to water, the melting and the freezing points both decrease. Conversely, melting and freezing temperatures increase under negative pressure, i.e. when water is stretched. This study presents an extrapolation of homogeneous ice nucleation temperatures from positive to negative pressures as a basis for further exploration of ice nucleation under negative pressure. It predicts that increasing negative pressure at temperatures below about 262 K eventually results in homogeneous ice nucleation while at warmer temperature homogeneous cavitation, i. e. bubble nucleation, dominates. Negative pressure occurs locally and briefly when water is stretched due to mechanical shock, sonic waves, or fragmentation. The occurrence of such transient negative pressure should suffice to trigger homogeneous ice nucleation at large supercooling in the absence of ice-nucleating surfaces. In addition, negative pressure can act together with ice-inducing surfaces to enhance their intrinsic ice nucleation efficiency. Dynamic ice nucleation can be used to improve properties and uniformity of frozen products by applying ultrasonic fields and might also be relevant for the freezing of large drops in rainclouds.

  1. Nucleation in an ultra low ionisation environment

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker

    in aerosol nucleation. By exposing a controlled volume of air to varying levels of ionising radiation, and with the minimum ionisation level vastly reduced compared to normal surface laboratory conditions, we have provided both a validation of earlier studies of ion-induced nucleation and extended...

  2. Nucleation of two-dimensional islands on Si (111) during high-temperature epitaxial growth

    Energy Technology Data Exchange (ETDEWEB)

    Sitnikov, S. V., E-mail: sitnikov@isp.nsc.ru; Kosolobov, S. S.; Latyshev, A. V. [Russian Academy of Sciences, Institute of Semiconductor Physics, Siberian Branch (Russian Federation)

    2017-02-15

    The process of two-dimensional island nucleation at the surface of ultra large Si (111) during hightemperature epitaxial growth is studied by in situ ultrahigh-vacuum reflection electron microscopy. The critical terrace size D{sub crit}, at which a two-dimensional island is nucleated in the center, is measured in the temperature range 900–1180°C at different silicon fluxes onto the surface. It is found that the parameter D{sub crit}{sup 2} is a power function of the frequency of island nucleation, with the exponent χ = 0.9 ± 0.05 in the entire temperature range under study. It is established that the kinetics of nucleus formation is defined by the diffusion of adsorbed silicon atoms at temperatures of up to 1180°C and the minimum critical nucleus size corresponds to 12 silicon atoms.

  3. Texture control and seeded nucleation of nanosize structures of ferroelectric thin films

    Science.gov (United States)

    Muralt, Paul

    2006-09-01

    An overview is given on nucleation phenomena of Pb(Zr ,Ti)O3 (PZT) thin films on Pt(111)-based substrates. Emphasis is given on in situ growth methods, particularly in situ reactive sputtering from three metallic targets. Growth of PZT thin films is discussed from the point of view of the PbOx-TiO2 phase diagram, PbO vapor pressure, and classical nucleation theory. The role of thin TiO2 affinity layers and spots is explained in the frame of this theory. Activation energies for desorption and chemisorption are adapted to comply with the fact that nucleation rates on TiO2 are much larger than the ones on bare Pt(111). The model reproduces well the PbO surface flux from bare Pt(111) to the affinity spots in the case of PbTiO3 nucleation and the reversed tendency in the case of PZT 40/60 nucleation, explaining experimental observations. The critical size of nuclei was calculated to contain 8-10unit cells for PbTiO3/Pt nucleation and 14-17 for PZT/Pt nucleation.

  4. Nucleation and cavitation in parahydrogen

    International Nuclear Information System (INIS)

    Pi, Martí; Barranco, Manuel; Navarro, Jesús; Ancilotto, Francesco

    2012-01-01

    Highlights: ► We have constructed a density functional (DF) for parahydrogen between 14 and 32 K. ► The experimental equation of state and the surface tension are well reproduced. ► We have investigated nucleation and cavitations processes in the metastable phase. ► We have obtained the electron bubble explosion within the capillary model. - Abstract: We have used a density functional approach to investigate thermal homogeneous nucleation and cavitation in parahydrogen. The effect of electrons as seeds of heterogeneous cavitation in liquid parahydrogen is also discussed within the capillary model.

  5. Boiling nucleation

    International Nuclear Information System (INIS)

    Cole, R.

    1974-01-01

    Experimental results of flash evaporation of a pool of water subjected to sudden pressure drop are reported. The experiments were conducted with pure water at equilibrium temperatures between 40 to 80 0 C and with superheat in the range of about 3 to 5 0 C. Two distinct exponential decaying processes were identified for flash evaporation and the flashing time was found to decrease with an increase of equilibrium temperature and with the decrease of superheat. Basic experiments on flash evaporation of distilled water were conducted. However, the results may not be quantitatively applicable to seawater flash evaporators as the presence of salts in the seawater will considerably change the surface tension and in turn affect the nonequilibrium fraction

  6. Nucleation in ZBLAN glasses

    NARCIS (Netherlands)

    de Leede, G.L.A.; Waal, de H.

    1989-01-01

    Nucleation rates were detd. in a ZrF4-BaF2-NaF-LaF3-AlF3 glass (ZBLAN) using an optical method. The results were compared with a similar glass having a slightly different compn. The difference in the nucleation rate is explained by classical nucleation theory using calcd. free-energy differences

  7. Probabilistic approach to lysozyme crystal nucleation kinetics.

    Science.gov (United States)

    Dimitrov, Ivaylo L; Hodzhaoglu, Feyzim V; Koleva, Dobryana P

    2015-09-01

    Nucleation of lysozyme crystals in quiescent solutions at a regime of progressive nucleation is investigated under an optical microscope at conditions of constant supersaturation. A method based on the stochastic nature of crystal nucleation and using discrete time sampling of small solution volumes for the presence or absence of detectable crystals is developed. It allows probabilities for crystal detection to be experimentally estimated. One hundred single samplings were used for each probability determination for 18 time intervals and six lysozyme concentrations. Fitting of a particular probability function to experimentally obtained data made possible the direct evaluation of stationary rates for lysozyme crystal nucleation, the time for growth of supernuclei to a detectable size and probability distribution of nucleation times. Obtained stationary nucleation rates were then used for the calculation of other nucleation parameters, such as the kinetic nucleation factor, nucleus size, work for nucleus formation and effective specific surface energy of the nucleus. The experimental method itself is simple and adaptable and can be used for crystal nucleation studies of arbitrary soluble substances with known solubility at particular solution conditions.

  8. Stochastic kinetics reveal imperative role of anisotropic interfacial tension to determine morphology and evolution of nucleated droplets in nematogenic films

    Science.gov (United States)

    Bhattacharjee, Amit Kumar

    2017-01-01

    For isotropic fluids, classical nucleation theory predicts the nucleation rate, barrier height and critical droplet size by ac- counting for the competition between bulk energy and interfacial tension. The nucleation process in liquid crystals is less understood. We numerically investigate nucleation in monolayered nematogenic films using a mesoscopic framework, in par- ticular, we study the morphology and kinetic pathway in spontaneous formation and growth of droplets of the stable phase in the metastable background. The parameter κ that quantifies the anisotropic elastic energy plays a central role in determining the geometric structure of the droplets. Noncircular nematic droplets with homogeneous director orientation are nucleated in a background of supercooled isotropic phase for small κ. For large κ, noncircular droplets with integer topological charge, accompanied by a biaxial ring at the outer surface, are nucleated. The isotropic droplet shape in a superheated nematic background is found to depend on κ in a similar way. Identical growth laws are found in the two cases, although an unusual two-stage mechanism is observed in the nucleation of isotropic droplets. Temporal distributions of successive events indi- cate the relevance of long-ranged elasticity-mediated interactions within the isotropic domains. Implications for a theoretical description of nucleation in anisotropic fluids are discussed.

  9. Definition of a critical confining zone using surface geophysical methods

    International Nuclear Information System (INIS)

    Eddy-Dilek, C.A.; Looney, B.B.; Hoekstra, P.; Harthill, N.; Blohm, M.; Phillips, D.R.

    1997-01-01

    Definition of the hydrologic framework in layered sediments of fluvial and deltaic origin is a difficult challenge for environmental characterization and remediation programs due to the lithologic and stratigraphic heterogeneities inherent in these settings. The authors set out to use complementary geophysical surveys to determine the nature and extent of a deep confining unit at the Savannah River Site, South Carolina. Time Domain Electromagnetic (TDEM) soundings were used to define the electrical conductance of the clayey confining unit (aquitard), and shear-wave reflection seismic was used to define the stratigraphic framework. Based on correlations with borehole geophysical logs and sieve data, the shear-wave seismic proved capable of defining relatively fine layering in the coastal plain sediments, the upper and lower surfaces of a critical confining unit, and erosional features on the surface of the confining unit. The TDEM surveys defined the presence or absence of the clay facies of the confining unit. Moreover, by constraining the interpretation of the TDEM data with the thickness of the confining unit derived from the seismic data, the authors mapped the extent of the unit, showing where the clay is thicker, where it probably was never deposited, and where it was eroded by downcutting channels. These results have significant implications on the design and optimization of remedial systems

  10. Experimental study of the effect of the reduced graphene oxide films on nucleate boiling performances of inclined surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Ji Hoon; Kong, Byeong Tak [Incheon National University, Incheon (Korea, Republic of); Kim, Ji Min [POSTECH, Pohang (Korea, Republic of); and others

    2016-05-15

    For the enhancing the CHF, surface coating techniques are available. Yang et al. performed small scale boiling experiments for the vessel lower head, which was coated by aluminum/copper micro particles. Recently, graphene has received much attention for applications in thermal engineering due to its large thermal conductivity. Ahn et al. used a silicon dioxide substrate, which was coated graphene films, as a heating surface during pool boiling experiments. The graphene films inhibited the formation of hot spots, increasing the CHF. For applying novel material 'Graphene' in nuclear industry, here we investigated the effects of graphene film coatings on boiling performances. The experimental pool boiling facility, copying the geometry of lower head of reactor, was designed for verifying orientation effects. The effects of graphene films coating on varied inclined heater surfaces were investigated. The CHF values were increased at every case, but the increased amounts were decreased for downward heater surfaces. At the downward-facing region, however, coating the RGO films would change the CHF mechanisms and boiling heat transfer performances. Generally, RGO films, made by colloidal fabrication, has defects on each flakes.

  11. CELL-SURFACE DISPLAY OF SYNTHETIC PHYTOCHELATINS USING ICE NUCLEATION PROTEIN FOR ENHANCED HEAVY-METAL BIOACCUMULATION. (R827227)

    Science.gov (United States)

    Synthetic phytochelatins (ECs) composed of (Glu–Cys)nGly are protein analogs of phytochelatin that exhibit improved metal-binding capacity over metallothioneins (MTs). Expression of EC20 on the surface of E. coli using the Lpp-OmpA anchor resulted in i...

  12. Experimental study of the effect of the reduced graphene oxide films on nucleate boiling performances of inclined surfaces

    International Nuclear Information System (INIS)

    Kim, Ji Hoon; Kong, Byeong Tak; Kim, Ji Min

    2016-01-01

    For the enhancing the CHF, surface coating techniques are available. Yang et al. performed small scale boiling experiments for the vessel lower head, which was coated by aluminum/copper micro particles. Recently, graphene has received much attention for applications in thermal engineering due to its large thermal conductivity. Ahn et al. used a silicon dioxide substrate, which was coated graphene films, as a heating surface during pool boiling experiments. The graphene films inhibited the formation of hot spots, increasing the CHF. For applying novel material 'Graphene' in nuclear industry, here we investigated the effects of graphene film coatings on boiling performances. The experimental pool boiling facility, copying the geometry of lower head of reactor, was designed for verifying orientation effects. The effects of graphene films coating on varied inclined heater surfaces were investigated. The CHF values were increased at every case, but the increased amounts were decreased for downward heater surfaces. At the downward-facing region, however, coating the RGO films would change the CHF mechanisms and boiling heat transfer performances. Generally, RGO films, made by colloidal fabrication, has defects on each flakes.

  13. Nucleation in the atmosphere

    International Nuclear Information System (INIS)

    Hegg, D A; Baker, M B

    2009-01-01

    Small particles play major roles in modulating radiative and hydrological fluxes in the atmosphere and thus they impact both climate (IPCC 2007) and weather. Most atmospheric particles outside clouds are created in situ through nucleation from gas phase precursors and most ice particles within clouds are formed by nucleation, usually from the liquid. Thus, the nucleation process is of great significance in the Earth's atmosphere. The theoretical examination of nucleation in the atmosphere has been based mostly on classical nucleation theory. While diagnostically very useful, the prognostic skill demonstrated by this approach has been marginal. Microscopic approaches such as molecular dynamics and density functional theory have also proven useful in elucidating various aspects of the process but are not yet sufficiently refined to offer a significant prognostic advantage to the classical approach, due primarily to the heteromolecular nature of atmospheric nucleation. An important aspect of the nucleation process in the atmosphere is that the degree of metastability of the parent phase for the nucleation is modulated by a number of atmospheric processes such as condensation onto pre-existing particles, updraft velocities that are the main driving force for supersaturation of water (a major factor in all atmospheric nucleation), and photochemical production rates of nucleation precursors. Hence, atmospheric nucleation is both temporally and spatially inhomogeneous

  14. Cavitation in a metallic liquid: Homogeneous nucleation and growth of nanovoids

    International Nuclear Information System (INIS)

    Cai, Y.; Wu, H. A.; Luo, S. N.

    2014-01-01

    Large-scale molecular dynamics (MD) simulations are performed to investigate homogeneous nucleation and growth of nanovoids during cavitation in liquid Cu. We characterize in detail the atomistic cavitation processes by following the temporal evolution of cavities or voids, analyze the nucleation behavior with the mean first-passage time (MFPT) and survival probability (SP) methods, and discuss the results against classical nucleation theory (CNT), the Tolman equation for surface energy, independent calculation of surface tension via integrating the stress profiles, the Johnson-Mehl-Avrami (JMA) growth law, and the power law for nucleus size distributions. Cavitation in this representative metallic liquid is a high energy barrier Poisson processes, and the steady-state nucleation rates obtained from statistical runs with the MFPT and SP methods are in agreement. The MFPT method also yields the critical nucleus size and the Zeldovich factor. Fitting with the Tolman's equation to the MD simulations yields the surface energy of a planar interface (∼0.9 J m −2 ) and the Tolman length (0.4–0.5 Å), and those values are in accord with those from integrating the stress profiles of a planar interface. Independent CNT predictions of the nucleation rate (10 33−34 s −1  m −3 ) and critical size (3–4 Å in radius) are in agreement with the MFPT and SP results. The JMA law can reasonably describe the nucleation and growth process. The size distribution of subcritical nuclei appears to follow a power law with an exponent decreasing with increasing tension owing to coupled nucleation and growth, and that of the supercritical nuclei becomes flattened during further stress relaxation due to void coalescence

  15. Cavitation in a metallic liquid: Homogeneous nucleation and growth of nanovoids

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Y. [Department of Modern Mechanics, CAS Key Laboratory of Materials Behavior and Design, University of Science and Technology of China, Hefei, Anhui 230027 (China); The Peac Institute of Multiscale Sciences, Chengdu, Sichuan 610207 (China); Wu, H. A., E-mail: wuha@ustc.edu.cn [Department of Modern Mechanics, CAS Key Laboratory of Materials Behavior and Design, University of Science and Technology of China, Hefei, Anhui 230027 (China); Luo, S. N., E-mail: sluo@pims.ac.cn [The Peac Institute of Multiscale Sciences, Chengdu, Sichuan 610207 (China)

    2014-06-07

    Large-scale molecular dynamics (MD) simulations are performed to investigate homogeneous nucleation and growth of nanovoids during cavitation in liquid Cu. We characterize in detail the atomistic cavitation processes by following the temporal evolution of cavities or voids, analyze the nucleation behavior with the mean first-passage time (MFPT) and survival probability (SP) methods, and discuss the results against classical nucleation theory (CNT), the Tolman equation for surface energy, independent calculation of surface tension via integrating the stress profiles, the Johnson-Mehl-Avrami (JMA) growth law, and the power law for nucleus size distributions. Cavitation in this representative metallic liquid is a high energy barrier Poisson processes, and the steady-state nucleation rates obtained from statistical runs with the MFPT and SP methods are in agreement. The MFPT method also yields the critical nucleus size and the Zeldovich factor. Fitting with the Tolman's equation to the MD simulations yields the surface energy of a planar interface (∼0.9 J m{sup −2}) and the Tolman length (0.4–0.5 Å), and those values are in accord with those from integrating the stress profiles of a planar interface. Independent CNT predictions of the nucleation rate (10{sup 33−34} s{sup −1} m{sup −3}) and critical size (3–4 Å in radius) are in agreement with the MFPT and SP results. The JMA law can reasonably describe the nucleation and growth process. The size distribution of subcritical nuclei appears to follow a power law with an exponent decreasing with increasing tension owing to coupled nucleation and growth, and that of the supercritical nuclei becomes flattened during further stress relaxation due to void coalescence.

  16. Cavitation in a metallic liquid: homogeneous nucleation and growth of nanovoids.

    Science.gov (United States)

    Cai, Y; Wu, H A; Luo, S N

    2014-06-07

    Large-scale molecular dynamics (MD) simulations are performed to investigate homogeneous nucleation and growth of nanovoids during cavitation in liquid Cu. We characterize in detail the atomistic cavitation processes by following the temporal evolution of cavities or voids, analyze the nucleation behavior with the mean first-passage time (MFPT) and survival probability (SP) methods, and discuss the results against classical nucleation theory (CNT), the Tolman equation for surface energy, independent calculation of surface tension via integrating the stress profiles, the Johnson-Mehl-Avrami (JMA) growth law, and the power law for nucleus size distributions. Cavitation in this representative metallic liquid is a high energy barrier Poisson processes, and the steady-state nucleation rates obtained from statistical runs with the MFPT and SP methods are in agreement. The MFPT method also yields the critical nucleus size and the Zeldovich factor. Fitting with the Tolman's equation to the MD simulations yields the surface energy of a planar interface (~0.9 J m⁻²) and the Tolman length (0.4-0.5 Å), and those values are in accord with those from integrating the stress profiles of a planar interface. Independent CNT predictions of the nucleation rate (10(33 - 34) s(-1) m(-3)) and critical size (3-4 Å in radius) are in agreement with the MFPT and SP results. The JMA law can reasonably describe the nucleation and growth process. The size distribution of subcritical nuclei appears to follow a power law with an exponent decreasing with increasing tension owing to coupled nucleation and growth, and that of the supercritical nuclei becomes flattened during further stress relaxation due to void coalescence.

  17. Revision of nucleated boiling mechanisms

    International Nuclear Information System (INIS)

    Converti, J.; Balino, J.L.

    1987-01-01

    The boiling occurrence plays an important role in the power reactors energy transfer. But still, there is not a final theory on the boiling mechanisms. This paper presents a critical analysis of the most important nucleated boiling models that appear in literature. The conflicting points are identified and experiments are proposed to clear them up. Some of these experiments have been performed at the Thermohydraulics laboratory (Bariloche Atomic Center). (Author)

  18. Nucleation behavior of glutathione polymorphs in water

    International Nuclear Information System (INIS)

    Chen, Zhi; Dang, Leping; Li, Shuai; Wei, Hongyuan

    2013-01-01

    Nucleation behavior of glutathione (GSH) polymorphs in water was investigated by experimental method combined with classical nucleation theory. The solubility of α and β forms GSH in water at different temperatures, and the nucleation induction period at various supersaturations and temperatures were determined experimentally. The results show that, in a certain range of supersaturation, the nucleation of β form predominates at relatively higher temperature, while α form will be obtained at lower temperature. The nucleation kinetics parameters of α and β form were then calculated. To understand the crucial role of temperature on crystal forms, “hypothetic” nucleation parameters of β form at 283.15 K were deduced based on extrapolation method. The results show that the interfacial tension, critical free energy, critical nucleus radius and nucleus number of α form are smaller than that of β form in the same condition at 283.15 K, which implies that α form nucleates easier than β form at low temperature. This work may be useful for the control and optimization of GSH crystallization process in industry

  19. Properties of liquid clusters in large-scale molecular dynamics nucleation simulations

    International Nuclear Information System (INIS)

    Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K.; Tanaka, Hidekazu

    2014-01-01

    We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with 10 9 atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent statistics for cluster properties over a wide range of cluster sizes. The nucleation rates, cluster growth rates, and size distributions are presented in Diemand et al. [J. Chem. Phys. 139, 74309 (2013)], while this paper analyses the properties of the clusters. We explore the cluster temperatures, density profiles, potential energies, and shapes. A thorough understanding of the properties of the clusters is crucial to the formulation of nucleation models. Significant latent heat is retained by stable clusters, by as much as ΔkT = 0.1ε for clusters with size i = 100. We find that the clusters deviate remarkably from spherical—with ellipsoidal axis ratios for critical cluster sizes typically within b/c = 0.7 ± 0.05 and a/c = 0.5 ± 0.05. We examine cluster spin angular momentum, and find that it plays a negligible role in the cluster dynamics. The interfaces of large, stable clusters are thinner than planar equilibrium interfaces by 10%−30%. At the critical cluster size, the cluster central densities are between 5% and 30% lower than the bulk liquid expectations. These lower densities imply larger-than-expected surface areas, which increase the energy cost to form a surface, which lowers nucleation rates

  20. Effects of surface and bulk transverse fields on critical behaviour of ferromagnetic films

    International Nuclear Information System (INIS)

    Saber, A.; Lo Russo, S.; Mattei, G.

    2002-02-01

    The influence of surface and bulk transverse fields on the critical behaviour of a ferromagnetic Ising film is studied using the effective field theory based on a single-site cluster method. Surface exchange enhancement is considered and a critical value is obtained. The dependence of the critical uniform transverse field on film thickness, phase diagrams in the fields, critical surface transverse field versus the bulk one, and exchange coupling ratio are presented. (author)

  1. RHEED studies of the nucleation, growth, and mobility of Ag atoms on the Si(111)7 x 7 surface

    Energy Technology Data Exchange (ETDEWEB)

    Roos, Kelly Ryan [Iowa State Univ., Ames, IA (United States)

    1993-07-01

    The low temperature and flux dependent growth of ultrathin Ag films on the Si(111)7x7 surface is studied with Reflection High-Energy Electron Diffraction (RHEED). The grazing incidence geometry of RHEED allows for an incident molecular beam normal to the surface, and makes it an ideal surface probe for studying ultrathin film growth in real time. Short-lived oscillations in the diffracted intensity are observed during Ag deposition at 150 K, indicating quasi-layer-by-layer growth mediated by adatom mobility. When the 150 K growth is performed over a wide range of deposition rates F, the peak intensity is observed to scale, i.e. I(Ft) depends only on the total amount deposited, which implies thermally activated diffusion is absent at 150 K. Scaling is not obeyed at higher temperatures (T≥473 K) for the growth of the √3x√3 R30° (√3) superstructure. Testing for scaling of the diffracted intensity constitutes a new experimental method which can be applied generally to determine if thermal diffusion is active at a particular temperature. Scaling is consistent with a constant diffusion length R0, independent of substrate temperature and deposition rate. The presence of a non-thermal diffusion mechanism (responsible for the constant diffusion length R0) is confirmed by monitoring the flux dependence of the √3 superstructure growth during deposition at T≥473 K. At these temperatures the total diffusion length R is given by R=R0+(4Dt)1/2, where (4Dt)1/2 is the thermal component. A non-zero intercept R0 is found by plotting the peak intensity Ip1/2 (a measure of the average domain size) vs. deposition rate F-1/2 (F-1 is proportional to the available diffusion time.) From the FWHM of a low coverage (0.2 ML) √3 spot, an estimation of 50 Å is made for a lower bound of the magnitude of R0.

  2. RHEED studies of the nucleation, growth, and mobility of Ag atoms on the Si(111)7 x 7 surface

    International Nuclear Information System (INIS)

    Roos, K.R.

    1993-07-01

    The low temperature and flux dependent growth of ultrathin Ag films on the Si(111)7x7 surface is studied with Reflection High-Energy Electron Diffraction (RHEED). The grazing incidence geometry of RHEED allows for an incident molecular beam normal to the surface, and makes it an ideal surface probe for studying ultrathin film growth in real time. Short-lived oscillations in the diffracted intensity are observed during Ag deposition at 150 K, indicating quasi-layer-by-layer growth mediated by adatom mobility. When the 150 K growth is performed over a wide range of deposition rates F, the peak intensity is observed to scale, i.e. I(Ft) depends only on the total amount deposited, which implies thermally activated diffusion is absent at 150 K. Scaling is not obeyed at higher temperatures (T≥473 K) for the growth of the √3x√3 R30 degrees (√3) superstructure. Testing for scaling of the diffracted intensity constitutes a new experimental method which can be applied generally to determine if thermal diffusion is active at a particular temperature. Scaling is consistent with a constant diffusion length R 0 , independent of substrate temperature and deposition rate. The presence of a non-thermal diffusion mechanism (responsible for the constant diffusion length R 0 ) is confirmed by monitoring the flux dependence of the √3 superstructure growth during deposition at T≥473 K. At these temperatures the total diffusion length R is given by R=R 0 +(4Dt) 1/2 , where (4Dt) 1/2 is the thermal component. A non-zero intercept R 0 is found by plotting the peak intensity I p 1/2 (a measure of the average domain size) vs. deposition rate F -1/2 (F -1 is proportional to the available diffusion time.) From the FWHM of a low coverage (0.2 ML) √3 spot, an estimation of 50 angstrom is made for a lower bound of the magnitude of R 0

  3. Definition of a critical confining zone using surface geophysical methods

    International Nuclear Information System (INIS)

    Eddy-Dilek, C.A.; Hoekstra, P.; Harthill, N.; Blohm, M.; Phillips, D.R.

    1996-01-01

    Definition of the hydrogeologic framework in layered sediments of fluvial and deltaic origin is a difficult challenge for environmental characterization and remediation programs due to the lithologic and stratigraphic heterogeneities inherent in these settings. These heterogeneties often control contaminant transport and the effectiveness of remediation alternatives, Surface geophysical surveys can be cost-effective methods for characterization, but individual methods have inherent limitations in resolution and sensitivity. A synergistic approach, utilizing two geophysical survey methods was applied, to define and examine the nature and extent of a deep confining zone of regulatory importance, the Crouch Branch Confining Unit, in Coastal Plain sediments at the Savannah River Site. TDEM accurately maps the overall conductance (product of thickness and electrical conductivity) of a confining zone clay facies; from variation in conductance, changes in lithology of the conforming zone can be inferred. Shear wave seismic reflection surveys map the depth to the clay layers, and the clay layer thickness, but provides little information on the lithologic nature of the confining zone. Integrated interpretation of the combined data set (including all available borehole logs) allows for delineation of the lateral and vertical extent of clay-dominated zones, sand-dominated zones, key stratigraphic horizons, and erosional features associated with unconformities. This approach has resulted in the collection of critical information that will be used to optimize remedial system design, representing a significant cost savings to environmental restoration programs at the Savannah River Site

  4. Simple improvements to classical bubble nucleation models.

    Science.gov (United States)

    Tanaka, Kyoko K; Tanaka, Hidekazu; Angélil, Raymond; Diemand, Jürg

    2015-08-01

    We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a correct prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by Tolman, the precise evaluations of the free energy barriers suggest the Tolman length is ≃0.3σ independently of the temperature for argon bubble nucleation, where σ is the unit length of the Lennard-Jones potential. With this Tolman correction and our prefactor one gets accurate bubble nucleation rate predictions in the parameter range probed by current experiments and molecular dynamics simulations.

  5. Role of stacking disorder in ice nucleation.

    Science.gov (United States)

    Lupi, Laura; Hudait, Arpa; Peters, Baron; Grünwald, Michael; Gotchy Mullen, Ryan; Nguyen, Andrew H; Molinero, Valeria

    2017-11-08

    The freezing of water affects the processes that determine Earth's climate. Therefore, accurate weather and climate forecasts hinge on good predictions of ice nucleation rates. Such rate predictions are based on extrapolations using classical nucleation theory, which assumes that the structure of nanometre-sized ice crystallites corresponds to that of hexagonal ice, the thermodynamically stable form of bulk ice. However, simulations with various water models find that ice nucleated and grown under atmospheric temperatures is at all sizes stacking-disordered, consisting of random sequences of cubic and hexagonal ice layers. This implies that stacking-disordered ice crystallites either are more stable than hexagonal ice crystallites or form because of non-equilibrium dynamical effects. Both scenarios challenge central tenets of classical nucleation theory. Here we use rare-event sampling and free energy calculations with the mW water model to show that the entropy of mixing cubic and hexagonal layers makes stacking-disordered ice the stable phase for crystallites up to a size of at least 100,000 molecules. We find that stacking-disordered critical crystallites at 230 kelvin are about 14 kilojoules per mole of crystallite more stable than hexagonal crystallites, making their ice nucleation rates more than three orders of magnitude higher than predicted by classical nucleation theory. This effect on nucleation rates is temperature dependent, being the most pronounced at the warmest conditions, and should affect the modelling of cloud formation and ice particle numbers, which are very sensitive to the temperature dependence of ice nucleation rates. We conclude that classical nucleation theory needs to be corrected to include the dependence of the crystallization driving force on the size of the ice crystallite when interpreting and extrapolating ice nucleation rates from experimental laboratory conditions to the temperatures that occur in clouds.

  6. Principles of nucleation theory

    International Nuclear Information System (INIS)

    Clement, C.F.; Wood, M.H.

    1980-01-01

    The nucleation of small stable species is described in the problem of void growth by discrete rate equations. When gas is being produced the problem reduces to one of calculating the incubation dose for the gas bubble to void transition. A general expression for the steady state nucleation rate is derived for the case when voids are formed by vacancy fluctuations which enable an effective nucleation barrier to be crossed. (author)

  7. Chlorine-containing salts as water ice nucleating particles on Mars

    Science.gov (United States)

    Santiago-Materese, D. L.; Iraci, L. T.; Clapham, M. E.; Chuang, P. Y.

    2018-03-01

    Water ice cloud formation on Mars largely is expected to occur on the most efficient ice nucleating particle available. Salts have been observed on the Martian surface and have been known to facilitate water cloud formation on Earth. We examined heterogeneous ice nucleation onto sodium chloride and sodium perchlorate substrates under Martian atmospheric conditions, in the range of 150 to 180 K and 10-7 to 10-5 Torr water partial pressure. Sub-155 K data for the critical saturation ratio (Scrit) suggests an exponential model best describes the temperature-dependence of nucleation onset of water ice for all substrates tested. While sodium chloride does not facilitate water ice nucleation more easily than bare silicon, sodium perchlorate does support depositional nucleation at lower saturation levels than other substrates shown and is comparable to smectite-rich clay in its ability to support cloud initiation. Perchlorates could nucleate water ice at partial pressures up to 40% lower than other substrates examined to date under Martian atmospheric conditions. These findings suggest air masses on Mars containing uplifted salts such as perchlorates could form water ice clouds at lower saturation ratios than in air masses absent similar particles.

  8. Rate of Homogenous Nucleation of Ice in Supercooled Water.

    Science.gov (United States)

    Atkinson, James D; Murray, Benjamin J; O'Sullivan, Daniel

    2016-08-25

    The homogeneous freezing of water is of fundamental importance to a number of fields, including that of cloud formation. However, there is considerable scatter in homogeneous nucleation rate coefficients reported in the literature. Using a cold stage droplet system designed to minimize uncertainties in temperature measurements, we examined the freezing of over 1500 pure water droplets with diameters between 4 and 24 μm. Under the assumption that nucleation occurs within the bulk of the droplet, nucleation rate coefficients fall within the spread of literature data and are in good agreement with a subset of more recent measurements. To quantify the relative importance of surface and volume nucleation in our experiments, where droplets are supported by a hydrophobic surface and surrounded by oil, comparison of droplets with different surface area to volume ratios was performed. From our experiments it is shown that in droplets larger than 6 μm diameter (between 234.6 and 236.5 K), nucleation in the interior is more important than nucleation at the surface. At smaller sizes we cannot rule out a significant contribution of surface nucleation, and in order to further constrain surface nucleation, experiments with smaller droplets are necessary. Nevertheless, in our experiments, it is dominantly volume nucleation controlling the observed nucleation rate.

  9. On void nucleation

    International Nuclear Information System (INIS)

    Subbotin, A.V.

    1978-01-01

    Nucleation of viable voids in irradiated materials is considered. The mechanism of evaporation and absorption of interstitials and vacancies disregarding the possibility of void merging is laid down into the basis of the discussion. The effect of irradiated material structure on void nucleation is separated from the effect of the properties of supersaturated solutions of vacancies and interstitials. An analytical expression for the nucleation rate is obtained and analyzed in different cases. The interstitials are concluded to effect severely the nucleation rate of viable voids

  10. An effective field study of the magnetic properties and critical behaviour at the surface Ising film

    International Nuclear Information System (INIS)

    Bengrine, M.; Benyoussef, A.; Ez-Zahraouy, H.; Mhirech, F.

    1998-09-01

    The influence of corrugation and disorder at the surface on the critical behaviour of a ferromagnetic spin-1/2 Ising film is investigated using mean-field theory and finite cluster approximation. It is found that the critical surface exponent β 1 follows closely the one of a perfect surface, in the two cases: corrugated surface and random equiprobable coupling surface. However, in the case of flat surface with random interactions the surface critical exponent β 1 depends on the concentration p of the strong interaction for p>p c =0,5, while for p≤p c , such critical exponent is independent on the value of p and is equal to the one of the perfect surface. Moreover, in the case of corrugated surface, the effective exponent for a layer z, β eff J(z,n), is calculated as a function of the number of steps at the surface. (author)

  11. Nanowires and nanoneedles nucleation on vicinal substrate

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xu, E-mail: zhangxubetter@gmail.com [Henan Key Laboratory of Laser and Opto-electric Information Technology, School of Information Engineering, Zhengzhou University, Zhengzhou 450052 (China); Xie, Dan; Huang, Genling [Zhengzhou Railway Vocational and Technical College, Zhengzhou 450052 (China); Sun, Xiao-Hong [Henan Key Laboratory of Laser and Opto-electric Information Technology, School of Information Engineering, Zhengzhou University, Zhengzhou 450052 (China)

    2015-01-01

    An analytic stress-driven nucleation model of nanowires (NWs) and nanoneedles (NNs) growing on a mismatched vicinal substrate is proposed. It is demonstrated that the formation enthalpy of NWs and NNs is a function of three independent variables, the base radius, aspect ratio and miscut angle of the vicinal surface. Theoretical analysis shows that the minimum nucleation barrier of an island decreases with increment of substrate misorientation, which means the nucleation of islands on a vicinal substrate is more favorable than that on a flat substrate.

  12. Nucleation of voids - the impurity effect

    International Nuclear Information System (INIS)

    Chen, I-W; Taiwo, A.

    1984-01-01

    Nucleation of voids under irradiation in multicomponent alloys remains an unsolved theoretical problem. Of particular interest are the effects of nonequilibrium solute segregation phenomena on the critical nucleus and the nucleation rate. The resolution of the multicomponent nucleation in a dissipative system also has broader implication to the field of irreversible thermodynamics. The present paper describes a recent study of solute segregation effects in void nucleation. We begin with a thermodynamic model for a nonequilibrium void with interfacial segregation. The thermodynamic model is coupled with kinetic considerations of solute/solvent diffusion under a bias, which is itself related to segregation by the coating effect, to assess the stability of void embryos. To determine nucleation rate, we develop a novel technique by extending the most probable path method in statistical mechanics for nonequilibrium steady state to simulate large fluctuation with nonlinear dissipation. The path of nucleation is determined by solving an analogous problem on particle trajectory in classical dynamics. The results of both the stability analysis and the fluctuation analysis establish the paramount significance of the impurity effect via the mechanism of nonequilibrium segregation. We conclude that over-segregation is probably the most general cause for the apparently low nucleation barriers that are responsible for nearly ubiquitous occurrence of void swelling in common metals

  13. Nonclassical nucleation pathways in protein crystallization.

    Science.gov (United States)

    Zhang, Fajun

    2017-11-08

    Classical nucleation theory (CNT), which was established about 90 years ago, has been very successful in many research fields, and continues to be the most commonly used theory in describing the nucleation process. For a fluid-to-solid phase transition, CNT states that the solute molecules in a supersaturated solution reversibly form small clusters. Once the cluster size reaches a critical value, it becomes thermodynamically stable and favored for further growth. One of the most important assumptions of CNT is that the nucleation process is described by one reaction coordinate and all order parameters proceed simultaneously. Recent studies in experiments, computer simulations and theory have revealed nonclassical features in the early stage of nucleation. In particular, the decoupling of order parameters involved during a fluid-to-solid transition leads to the so-called two-step nucleation mechanism, in which a metastable intermediate phase (MIP) exists between the initial supersaturated solution and the final crystals. Depending on the exact free energy landscapes, the MIPs can be a high density liquid phase, mesoscopic clusters, or a pre-ordered state. In this review, we focus on the studies of nonclassical pathways in protein crystallization and discuss the applications of the various scenarios of two-step nucleation theory. In particular, we focus on protein solutions in the presence of multivalent salts, which serve as a model protein system to study the nucleation pathways. We wish to point out the unique features of proteins as model systems for further studies.

  14. Nonclassical nucleation pathways in protein crystallization

    Science.gov (United States)

    Zhang, Fajun

    2017-11-01

    Classical nucleation theory (CNT), which was established about 90 years ago, has been very successful in many research fields, and continues to be the most commonly used theory in describing the nucleation process. For a fluid-to-solid phase transition, CNT states that the solute molecules in a supersaturated solution reversibly form small clusters. Once the cluster size reaches a critical value, it becomes thermodynamically stable and favored for further growth. One of the most important assumptions of CNT is that the nucleation process is described by one reaction coordinate and all order parameters proceed simultaneously. Recent studies in experiments, computer simulations and theory have revealed nonclassical features in the early stage of nucleation. In particular, the decoupling of order parameters involved during a fluid-to-solid transition leads to the so-called two-step nucleation mechanism, in which a metastable intermediate phase (MIP) exists between the initial supersaturated solution and the final crystals. Depending on the exact free energy landscapes, the MIPs can be a high density liquid phase, mesoscopic clusters, or a pre-ordered state. In this review, we focus on the studies of nonclassical pathways in protein crystallization and discuss the applications of the various scenarios of two-step nucleation theory. In particular, we focus on protein solutions in the presence of multivalent salts, which serve as a model protein system to study the nucleation pathways. We wish to point out the unique features of proteins as model systems for further studies.

  15. Experimental investigation of time and repeated cycles in nucleate pool boiling of alumina/water nanofluid on polished and machined surfaces

    Science.gov (United States)

    Rajabzadeh Dareh, F.; Haghshenasfard, M.; Nasr Esfahany, M.; Salimi Jazi, H.

    2018-06-01

    Pool boiling heat transfer of pure water and nanofluids on a copper block has been studied experimentally. Nanofluids with various concentrations of 0.0025, 0.005 and 0.01 vol.% are employed and two simple surfaces (polished and machined copper surface) are used as the heating surfaces. The results indicated that the critical heat flux (CHF) in boiling of fluids on the polished surface is 7% higher than CHF on the machined surface. In the case of machined surface, the heat transfer coefficient (HTC) of 0.01 vol.% nanofluid is about 37% higher than HTC of base fluid, while in the polished surface the average HTC of 0.01% nanofluid is about 19% lower than HTC of the pure water. The results also showed that the boiling time and boiling cycles on the polished surface changes the heat transfer performance. By increasing the boiling time from 5 to 10 min, the roughness enhances about 150%, but by increasing the boiling time to 15 min, the roughness enhancement is only 8%.

  16. Void nucleation at heterogeneities

    International Nuclear Information System (INIS)

    Seyyedi, S.A.; Hadji-Mirzai, M.; Russell, K.C.

    The energetics and kinetics of void nucleation at dislocations and interfaces are analyzed. These are potential void nucleation sites only when they are not point defect sinks. Both kinds of site are found to be excellent catalysts in the presence of inert gas

  17. Toward the Synthesis of Sub-15 nm Ag Nanocubes with Sharp Corners and Edges: The Roles of Heterogeneous Nucleation and Surface Capping.

    Science.gov (United States)

    Ruditskiy, Aleksey; Xia, Younan

    2016-03-09

    We report a polyol method for the facile synthesis of Ag nanocubes having sharp corners and edges, together with edge lengths below 15 nm. The rapid nucleation of Ag atoms was facilitated through the addition of a trace amount of SH(-) to generate Ag2S clusters while the corners and edges of the nanocubes were sharpened through the introduction of Br(-) as a regulator of the growth kinetics and a capping agent for the Ag(100) surface. Because of their much smaller size relative to the more commonly used capping agent based on poly(vinylpyrrolidone), Br(-) ions are more effective in passivating the {100} facets on very small Ag nanocubes. The mechanistic roles of these additives, along with the effects of their interactions with other species present in the reaction solution, were all systematically investigated. The concentration of SH(-) was found to be a particularly effective parameter for tuning the edge length of the nanocubes. As a result of the understanding gained during the course of this study, Ag nanocubes with uniform edge lengths controllable in the range of 13-23 nm could be reliably produced. The nanocubes of 13.4 ± 0.4 nm in edge length constitute the smallest nanocrystals of this kind reported to date; they also possess sharper corners and edges relative to the limited examples of sub-20 nm Ag nanocubes reported in the literature. The availability of such small and sharp Ag nanocubes will open the door to an array of applications in plasmonics, catalysis, and biomedicine.

  18. Diffusion of two-dimensional epitaxial clusters on metal (100) surfaces: Facile versus nucleation-mediated behavior and their merging for larger sizes

    International Nuclear Information System (INIS)

    Lai, King C.; Liu, Da-Jiang; Evans, James W.

    2017-01-01

    For diffusion of two-dimensional homoepitaxial clusters of N atoms on metal(100) surfaces mediated by edge atom hopping, macroscale continuum theory suggests that the diffusion coefficient scales like DN ~ N -β with β = 3/2. However, we find quite different and diverse behavior in multiple size regimes. These include: (i) facile diffusion for small sizes N < 9; (ii) slow nucleation-mediated diffusion with small β < 1 for “perfect” sizes N = N p = L 2 or L(L+1), for L = 3, 4,… having unique ground state shapes, for moderate sizes 9 ≤ N ≤ O(10 2 ); the same also applies for N = N p +3, N p + 4,… (iii) facile diffusion but with large β > 2 for N = Np + 1 and N p + 2 also for moderate sizes 9 ≤ N ≤ O(10 2 ); (iv) merging of the above distinct branches and subsequent anomalous scaling with 1 ≲ β < 3/2, reflecting the quasi-facetted structure of clusters, for larger N = O(10 2 ) to N = O(10 3 ); and (v) classic scaling with β = 3/2 for very large N = O(103) and above. The specified size ranges apply for typical model parameters. We focus on the moderate size regime where show that diffusivity cycles quasi-periodically from the slowest branch for N p + 3 (not Np) to the fastest branch for Np + 1. Behavior is quantified by Kinetic Monte Carlo simulation of an appropriate stochastic lattice-gas model. However, precise analysis must account for a strong enhancement of diffusivity for short time increments due to back-correlation in the cluster motion. Further understanding of this enhancement, of anomalous size scaling behavior, and of the merging of various branches, is facilitated by combinatorial analysis of the number of the ground state and low-lying excited state cluster configurations, and also of kink populations.

  19. Role of the surface in the critical behavior of finite systems

    Energy Technology Data Exchange (ETDEWEB)

    Duflot, V.; Chomaz, Ph. [Grand Accelerateur National d' Ions Lourds (GANIL), 14 - Caen (France); Gulminelli, F. [Laboratoire de Physique Corpusculaire, LPC-ISMRa, CNRS-IN2P3, 14 - Caen (France)

    2000-07-01

    The role of surfaces in a finite system undergoing a critical phenomenon is discussed in a canonical lattice-gas model. Surfaces are constrained by a mean volume defined via a La grange multiplier. We show that critical fragment size distributions are conserved even in very small systems with surfaces. This implies that critical signals are still relevant in the study of phase transitions in finite systems. (authors)

  20. An improved model for nucleation-limited ice formation in living cells during freezing.

    Directory of Open Access Journals (Sweden)

    Jingru Yi

    Full Text Available Ice formation in living cells is a lethal event during freezing and its characterization is important to the development of optimal protocols for not only cryopreservation but also cryotherapy applications. Although the model for probability of ice formation (PIF in cells developed by Toner et al. has been widely used to predict nucleation-limited intracellular ice formation (IIF, our data of freezing Hela cells suggest that this model could give misleading prediction of PIF when the maximum PIF in cells during freezing is less than 1 (PIF ranges from 0 to 1. We introduce a new model to overcome this problem by incorporating a critical cell volume to modify the Toner's original model. We further reveal that this critical cell volume is dependent on the mechanisms of ice nucleation in cells during freezing, i.e., surface-catalyzed nucleation (SCN and volume-catalyzed nucleation (VCN. Taken together, the improved PIF model may be valuable for better understanding of the mechanisms of ice nucleation in cells during freezing and more accurate prediction of PIF for cryopreservation and cryotherapy applications.

  1. Energetics of dislocation nucleation under a nanoindenter

    International Nuclear Information System (INIS)

    Zhang Chuanli; Xu Guanshui

    2005-01-01

    We present an analysis of dislocation nucleation under an idealized nanoindenter based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model. By solving the embryonic dislocation profiles, corresponding to the relative displacements between the two adjacent atomic layers along the slip plane, we have determined the critical conditions for athermal dislocation nucleation as well as the activation energies required to thermally activate embryonic dislocations from their stable to unstable saddle point configurations. The effect of the size of the indenter on the energetics of dislocation nucleation is quantitatively characterized. The result is compared with a simplified analysis based on the application of the Rice model for dislocation nucleation at a crack tip

  2. Energetics of dislocation nucleation under a nanoindenter

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Chuanli [College of Mechanical Engineering, Yangtze University, Jingzhou, Hubei 434023 (China); Department of Mechanical Engineering, University of California, Riverside, CA 92521 (United States); Xu Guanshui [Department of Mechanical Engineering, University of California, Riverside, CA 92521 (United States)]. E-mail: guanshui.xu@ucr.edu

    2005-07-25

    We present an analysis of dislocation nucleation under an idealized nanoindenter based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model. By solving the embryonic dislocation profiles, corresponding to the relative displacements between the two adjacent atomic layers along the slip plane, we have determined the critical conditions for athermal dislocation nucleation as well as the activation energies required to thermally activate embryonic dislocations from their stable to unstable saddle point configurations. The effect of the size of the indenter on the energetics of dislocation nucleation is quantitatively characterized. The result is compared with a simplified analysis based on the application of the Rice model for dislocation nucleation at a crack tip.

  3. Evidence for a liquid-liquid critical point in supercooled water within the E3B3 model and a possible interpretation of the kink in the homogeneous nucleation line

    Energy Technology Data Exchange (ETDEWEB)

    Ni, Yicun; Skinner, J. L. [Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706 (United States)

    2016-06-07

    Supercooled water exhibits many thermodynamic anomalies, and several scenarios have been proposed to interpret them, among which the liquid-liquid critical point (LLCP) hypothesis is the most commonly discussed. We investigated Widom lines and the LLCP of deeply supercooled water, by using molecular dynamics simulation with a newly reparameterized water model that explicitly includes three-body interactions. Seven isobars are studied from ambient pressure to 2.5 kbar, and Widom lines are identified by calculating maxima in the coefficient of thermal expansion and the isothermal compressibility (both with respect to temperature). From these data we estimate that the LLCP of the new water model is at 180 K and 2.1 kbar. The oxygen radial distribution function is calculated along the 2 kbar isobar. It shows a steep change in the height of its second peak between 180 and 185 K, which indicates a transition between the high-density liquid and low-density liquid phases and which is consistent with the ascribed location of the critical point. The good agreement of the height of the second peak of the radial distribution function between simulation and experiment at 1 bar, as a function of temperature, supports the validity of the model. The location of the LLCP within the model is close to the kink in the experimental homogeneous nucleation line. We use existing experimental data to argue that the experimental LLCP is at 168 K and 1.95 kbar and speculate how this LLCP and its Widom line might be responsible for the kink in the homogeneous nucleation line.

  4. Heat transfer enhancement on nucleate boiling

    International Nuclear Information System (INIS)

    Zhuang, M.; Guibai, L.

    1990-01-01

    This paper reports on enhancement of nucleate boiling heat transfer with additives that was investigated experimentally. More than fifteen kinds of additives were chosen and tested. Eight kinds of effective additives which can enhance nucleate boiling heat transfer were selected. Experimental results showed that boiling heat transfer coefficient of water was increased by 1 to 5 times and that of R-113 was increased by 1 to 4 times when trace amount additives were put in the two boiling liquids. There exist optimum concentrations for the additives, respectively, which can enhance nucleate boiling heat transfer rate best. In order to analyze the mechanism of the enhancement of boiling heat transfer with additives, the surface tension and the bubble departure diameter were measured. The nucleation sites were investigated by use of high-speed photograph. Experimental results showed that nucleation sites increase with additive amount increasing and get maximum. Increasing nucleation sites is one of the most important reason why nucleate boiling heat transfer can be enhanced with additives

  5. Influence of the hydrostatic stress component on critical surface expansion in forging compound products

    DEFF Research Database (Denmark)

    Vorm, T; Bay, Niels; Wanheim, Tarras

    1974-01-01

    of a superimposed hydrostatic pressure on the critical surface expansion during a forging process. The critical surface expansion appears to decrease with increasing hydrostatic pressure. This may be due to the fact that the close contact between the materials necessary to obtain bonding is created by a micro...

  6. Thermal interaction effect on nucleation site distribution in subcooled boiling

    International Nuclear Information System (INIS)

    Zou, Ling; Jones, Barclay

    2012-01-01

    An experimental work on subcooled boiling of refrigerant, R134a, to examine nucleation site distributions on both copper and stainless steel heating surfaces was performed. In order to obtain high fidelity active nucleation site density and distribution data, a high-speed digital camera was utilized to record bubble emission images from a view normal to heating surfaces. Statistical analyses on nucleation site data were done and their statistical distributions were obtained. Those experimentally observed nucleation site distributions were compared to the random spatial Poisson distribution. The comparisons showed that, rather than purely random, active nucleation site distributions on boiling surfaces are relatively more uniform. Experimental results also showed that on the copper heating surface, nucleation site distributions are slightly more uniform than on the stainless steel surface. This was concluded as the results of thermal interactions between nucleation sites with different solid thermal conductivities. A two dimensional thermal interaction model was then developed to quantitatively examine the thermal interactions between nucleation sites. The results give a reasonable explanation to the experimental observation on nucleation site distributions.

  7. Bioinspired Materials for Controlling Ice Nucleation, Growth, and Recrystallization.

    Science.gov (United States)

    He, Zhiyuan; Liu, Kai; Wang, Jianjun

    2018-05-15

    Ice formation, mainly consisting of ice nucleation, ice growth, and ice recrystallization, is ubiquitous and crucial in wide-ranging fields from cryobiology to atmospheric physics. Despite active research for more than a century, the mechanism of ice formation is still far from satisfactory. Meanwhile, nature has unique ways of controlling ice formation and can provide resourceful avenues to unravel the mechanism of ice formation. For instance, antifreeze proteins (AFPs) protect living organisms from freezing damage via controlling ice formation, for example, tuning ice nucleation, shaping ice crystals, and inhibiting ice growth and recrystallization. In addition, AFP mimics can have applications in cryopreservation of cells, tissues, and organs, food storage, and anti-icing materials. Therefore, continuous efforts have been made to understand the mechanism of AFPs and design AFP inspired materials. In this Account, we first review our recent research progress in understanding the mechanism of AFPs in controlling ice formation. A Janus effect of AFPs on ice nucleation was discovered, which was achieved via selectively tethering the ice-binding face (IBF) or the non-ice-binding face (NIBF) of AFPs to solid surfaces and investigating specifically the effect of the other face on ice nucleation. Through molecular dynamics (MD) simulation analysis, we observed ordered hexagonal ice-like water structure atop the IBF and disordered water structure atop the NIBF. Therefore, we conclude that the interfacial water plays a critical role in controlling ice formation. Next, we discuss the design and fabrication of AFP mimics with capabilities in tuning ice nucleation and controlling ice shape and growth, as well as inhibiting ice recrystallization. For example, we tuned ice nucleation via modifying solid surfaces with supercharged unfolded polypeptides (SUPs) and polyelectrolyte brushes (PBs) with different counterions. We found graphene oxide (GO) and oxidized quasi

  8. Predictions of homogeneous nucleation rates for n-alkanes accounting for the diffuse phase interface and capillary waves.

    Science.gov (United States)

    Planková, Barbora; Vinš, Václav; Hrubý, Jan

    2017-10-28

    Homogeneous droplet nucleation has been studied for almost a century but has not yet been fully understood. In this work, we used the density gradient theory (DGT) and considered the influence of capillary waves (CWs) on the predicted size-dependent surface tensions and nucleation rates for selected n-alkanes. The DGT model was completed by an equation of state (EoS) based on the perturbed-chain statistical associating fluid theory and compared to the classical nucleation theory and the Peng-Robinson EoS. It was found that the critical clusters are practically free of CWs because they are so small that even the smallest wavelengths of CWs do not fit into their finite dimensions. The CWs contribute to the entropy of the system and thus decrease the surface tension. A correction for the effect of CWs on the surface tension is presented. The effect of the different EoSs is relatively small because by a fortuitous coincidence their predictions are similar in the relevant range of critical cluster sizes. The difference of the DGT predictions to the classical nucleation theory computations is important but not decisive. Of the effects investigated, the most pronounced is the suppression of CWs which causes a sizable decrease of the predicted nucleation rates. The major difference between experimental nucleation rate data and theoretical predictions remains in the temperature dependence. For normal alkanes, this discrepancy is much stronger than observed, e.g., for water. Theoretical corrections developed here have a minor influence on the temperature dependency. We provide empirical equations correcting the predicted nucleation rates to values comparable with experiments.

  9. Predictions of homogeneous nucleation rates for n-alkanes accounting for the diffuse phase interface and capillary waves

    Science.gov (United States)

    Planková, Barbora; Vinš, Václav; Hrubý, Jan

    2017-10-01

    Homogeneous droplet nucleation has been studied for almost a century but has not yet been fully understood. In this work, we used the density gradient theory (DGT) and considered the influence of capillary waves (CWs) on the predicted size-dependent surface tensions and nucleation rates for selected n-alkanes. The DGT model was completed by an equation of state (EoS) based on the perturbed-chain statistical associating fluid theory and compared to the classical nucleation theory and the Peng-Robinson EoS. It was found that the critical clusters are practically free of CWs because they are so small that even the smallest wavelengths of CWs do not fit into their finite dimensions. The CWs contribute to the entropy of the system and thus decrease the surface tension. A correction for the effect of CWs on the surface tension is presented. The effect of the different EoSs is relatively small because by a fortuitous coincidence their predictions are similar in the relevant range of critical cluster sizes. The difference of the DGT predictions to the classical nucleation theory computations is important but not decisive. Of the effects investigated, the most pronounced is the suppression of CWs which causes a sizable decrease of the predicted nucleation rates. The major difference between experimental nucleation rate data and theoretical predictions remains in the temperature dependence. For normal alkanes, this discrepancy is much stronger than observed, e.g., for water. Theoretical corrections developed here have a minor influence on the temperature dependency. We provide empirical equations correcting the predicted nucleation rates to values comparable with experiments.

  10. Nucleation reactions during deformation and crystallization of metallic glass

    International Nuclear Information System (INIS)

    Perepezko, J.H.; Imhoff, S.D.; Chen, M.W.; Gonzalez, S.; Inoue, A.

    2012-01-01

    Highlights: ► New approach to the examination and analysis of shear band nucleation. ► Discovery of multiple shear band nucleation sites. ► Identification of a method of using transient kinetic behavior to provide a more realistic evaluation of the diffusivity that is relevant to nucleation. - Abstract: Nucleation reactions play a central role in the synthesis of both bulk metallic glasses and nanostructured materials. For nanostructured materials it is necessary to promote a high nucleation density without significant growth or coarsening. Beyond crystallization reactions nucleation of shear bands is critical for promoting a homogeneous flow and useful ductility for structural applications of bulk metallic glass. The study and analysis of nucleation reactions for these different situations requires a consideration of the stochastic nature of nucleation, the influence of heterogeneous sites, and the controlling transport properties. For shear band nucleation, the stochastic nature can be effectively probed by instrumented nanoindentation tests. The analysis of a statistically significant number of measurements of the first pop-in shear band nucleation events reveals at least two main nucleation sites. In nanostructured composites, the initial nucleation stage is influenced by transient effects as reflected in the delay time prior to steady state nucleation and by heterogeneous nucleation sites that are related to medium range order regions in Al-base amorphous alloys. Moreover, the early growth characteristics are linked to the maximum achievable particle density. The new developments and insight on the fundamental understanding of nanostructure reaction mechanisms offer valuable guidance for control of nanoscale microstructures and for promoting ductile deformation behavior.

  11. Effects of atomic hydrogen on the selective area growth of Si and Si1-xGex thin films on Si and SiO2 surfaces: Inhibition, nucleation, and growth

    International Nuclear Information System (INIS)

    Schroeder, T.W.; Lam, A.M.; Ma, P.F.; Engstrom, J.R.

    2004-01-01

    Supersonic molecular beam techniques have been used to study the nucleation of Si and Si 1-x Ge x thin films on Si and SiO 2 surfaces, where Si 2 H 6 and GeH 4 have been used as sources. A particular emphasis of this study has been an examination of the effects of a coincident flux of atomic hydrogen. The time associated with formation of stable islands of Si or Si 1-x Ge x on SiO 2 surfaces--the incubation time--has been found to depend strongly on the kinetic energy of the incident molecular precursors (Si 2 H 6 and GeH 4 ) and the substrate temperature. After coalescence, thin film morphology has been found to depend primarily on substrate temperature, with smoother films being grown at substrate temperatures below 600 deg. C. Introduction of a coincident flux of atomic hydrogen has a large effect on the nucleation and growth process. First, the incubation time in the presence of atomic hydrogen has been found to increase, especially at substrate temperatures below 630 deg. C, suggesting that hydrogen atoms adsorbed on Si-like sites on SiO 2 can effectively block nucleation of Si. Unfortunately, in terms of promoting selective area growth, coincident atomic hydrogen also decreases the rate of epitaxial growth rate, essentially offsetting any increase in the incubation time for growth on SiO 2 . Concerning Si 1-x Ge x growth, the introduction of GeH 4 produces substantial changes in both thin film morphology and the rate nucleation of poly-Si 1-x Ge x on SiO 2 . Briefly, the addition of Ge increases the incubation time, while it lessens the effect of coincident hydrogen on the incubation time. Finally, a comparison of the maximum island density, the time to reach this density, and the steady-state polycrystalline growth rate strongly suggests that all thin films [Si, Si 1-x Ge x , both with and without H(g)] nucleate at special sites on the SiO 2 surface, and grow primarily via direct deposition of adatoms on pre-existing islands

  12. Homogeneous nucleation in liquid nitrogen at negative pressures

    Energy Technology Data Exchange (ETDEWEB)

    Baidakov, V. G., E-mail: baidakov@itp.uran.ru; Vinogradov, V. E.; Pavlov, P. A. [Russian Academy of Sciences, Institute of Thermal Physics, Ural Branch (Russian Federation)

    2016-10-15

    The kinetics of spontaneous cavitation in liquid nitrogen at positive and negative pressures has been studied in a tension wave formed by a compression pulse reflected from the liquid–vapor interface on a thin platinum wire heated by a current pulse. The limiting tensile stresses (Δp = p{sub s}–p, where p{sub s} is the saturation pressure), the corresponding bubble nucleation frequencies J (10{sup 20}–10{sup 22} s{sup –1} m{sup –3}), and temperature induced nucleation frequency growth rate G{sub T} = dlnJ/dT have been experimentally determined. At T = 90 K, the limiting tensile stress was Δp = 8.3 MPa, which was 4.9 MPa lower than the value corresponding to the boundary of thermodynamic stability of the liquid phase (spinodal). The measurement results were compared to classical (homogeneous) nucleation theory (CNT) with and without neglect of the dependence of the surface tension of critical bubbles on their dimensions. In the latter case, the properties of new phase nuclei were described in terms of the Van der Waals theory of capillarity. The experimental data agree well with the CNT theory when it takes into account the “size effect.”.

  13. Determination of the void nucleation rate from void size distributions

    International Nuclear Information System (INIS)

    Brailsford, A.D.

    1977-01-01

    A method of estimating the void nucleation rate from one void size distribution and from observation of the maximum void radius at prior times is proposed. Implicit in the method are the assumptions that both variations in the critical radius with dose and vacancy thermal emission processes during post-nucleation quasi-steady-state growth may be neglected. (Auth.)

  14. Bubble nucleation in an explosive micro-bubble actuator

    NARCIS (Netherlands)

    van den Broek, D.M.; Elwenspoek, Michael Curt

    2008-01-01

    Explosive evaporation occurs when a thin layer of liquid reaches a temperature close to the critical temperature in a very short time. At these temperatures spontaneous nucleation takes place. The nucleated bubbles instantly coalesce forming a vapour film followed by rapid growth due to the pressure

  15. A novel approach to the theory of homogeneous and heterogeneous nucleation.

    Science.gov (United States)

    Ruckenstein, Eli; Berim, Gersh O; Narsimhan, Ganesan

    2015-01-01

    A new approach to the theory of nucleation, formulated relatively recently by Ruckenstein, Narsimhan, and Nowakowski (see Refs. [7-16]) and developed further by Ruckenstein and other colleagues, is presented. In contrast to the classical nucleation theory, which is based on calculating the free energy of formation of a cluster of the new phase as a function of its size on the basis of macroscopic thermodynamics, the proposed theory uses the kinetic theory of fluids to calculate the condensation (W(+)) and dissociation (W(-)) rates on and from the surface of the cluster, respectively. The dissociation rate of a monomer from a cluster is evaluated from the average time spent by a surface monomer in the potential well as obtained from the solution of the Fokker-Planck equation in the phase space of position and momentum for liquid-to-solid transition and the phase space of energy for vapor-to-liquid transition. The condensation rates are calculated using traditional expressions. The knowledge of those two rates allows one to calculate the size of the critical cluster from the equality W(+)=W(-) as well as the rate of nucleation. The developed microscopic approach allows one to avoid the controversial application of classical thermodynamics to the description of nuclei which contain a few molecules. The new theory was applied to a number of cases, such as the liquid-to-solid and vapor-to-liquid phase transitions, binary nucleation, heterogeneous nucleation, nucleation on soluble particles and protein folding. The theory predicts higher nucleation rates at high saturation ratios (small critical clusters) than the classical nucleation theory for both solid-to-liquid as well as vapor-to-liquid transitions. As expected, at low saturation ratios for which the size of the critical cluster is large, the results of the new theory are consistent with those of the classical one. The present approach was combined with the density functional theory to account for the density

  16. Truncatable bootstrap equations in algebraic form and critical surface exponents

    Energy Technology Data Exchange (ETDEWEB)

    Gliozzi, Ferdinando [Dipartimento di Fisica, Università di Torino andIstituto Nazionale di Fisica Nucleare - sezione di Torino,Via P. Giuria 1, Torino, I-10125 (Italy)

    2016-10-10

    We describe examples of drastic truncations of conformal bootstrap equations encoding much more information than that obtained by a direct numerical approach. A three-term truncation of the four point function of a free scalar in any space dimensions provides algebraic identities among conformal block derivatives which generate the exact spectrum of the infinitely many primary operators contributing to it. In boundary conformal field theories, we point out that the appearance of free parameters in the solutions of bootstrap equations is not an artifact of truncations, rather it reflects a physical property of permeable conformal interfaces which are described by the same equations. Surface transitions correspond to isolated points in the parameter space. We are able to locate them in the case of 3d Ising model, thanks to a useful algebraic form of 3d boundary bootstrap equations. It turns out that the low-lying spectra of the surface operators in the ordinary and the special transitions of 3d Ising model form two different solutions of the same polynomial equation. Their interplay yields an estimate of the surface renormalization group exponents, y{sub h}=0.72558(18) for the ordinary universality class and y{sub h}=1.646(2) for the special universality class, which compare well with the most recent Monte Carlo calculations. Estimates of other surface exponents as well as OPE coefficients are also obtained.

  17. Bubble nucleation in an explosive micro-bubble actuator

    International Nuclear Information System (INIS)

    Van den Broek, D M; Elwenspoek, M

    2008-01-01

    Explosive evaporation occurs when a thin layer of liquid reaches a temperature close to the critical temperature in a very short time. At these temperatures spontaneous nucleation takes place. The nucleated bubbles instantly coalesce forming a vapour film followed by rapid growth due to the pressure impulse. In this paper we take a closer look at the bubble nucleation. The moment of bubble nucleation was determined by both stroboscopic imaging and resistance thermometry. Two nucleation regimes could be distinguished. Several different heater designs were investigated under heat fluxes of hundreds of W mm −2 . A close correspondence between current density in the heater and point of nucleation was found. This results in design rules for effective heaters

  18. Nanoscale-Agglomerate-Mediated Heterogeneous Nucleation.

    Science.gov (United States)

    Cha, Hyeongyun; Wu, Alex; Kim, Moon-Kyung; Saigusa, Kosuke; Liu, Aihua; Miljkovic, Nenad

    2017-12-13

    Water vapor condensation on hydrophobic surfaces has received much attention due to its ability to rapidly shed water droplets and enhance heat transfer, anti-icing, water harvesting, energy harvesting, and self-cleaning performance. However, the mechanism of heterogeneous nucleation on hydrophobic surfaces remains poorly understood and is attributed to defects in the hydrophobic coating exposing the high surface energy substrate. Here, we observe the formation of high surface energy nanoscale agglomerates on hydrophobic coatings after condensation/evaporation cycles in ambient conditions. To investigate the deposition dynamics, we studied the nanoscale agglomerates as a function of condensation/evaporation cycles via optical and field emission scanning electron microscopy (FESEM), microgoniometric contact angle measurements, nucleation statistics, and energy dispersive X-ray spectroscopy (EDS). The FESEM and EDS results indicated that the nanoscale agglomerates stem from absorption of sulfuric acid based aerosol particles inside the droplet and adsorption of volatile organic compounds such as methanethiol (CH 3 SH), dimethyl disulfide (CH 3 SSCH), and dimethyl trisulfide (CH 3 SSSCH 3 ) on the liquid-vapor interface during water vapor condensation, which act as preferential sites for heterogeneous nucleation after evaporation. The insights gained from this study elucidate fundamental aspects governing the behavior of both short- and long-term heterogeneous nucleation on hydrophobic surfaces, suggest previously unexplored microfabrication and air purification techniques, and present insights into the challenges facing the development of durable dropwise condensing surfaces.

  19. The Effects of Channel Curvature and Protrusion Height on Nucleate Boiling and the Critical Heat Flux of a Simulated Electronic Chip

    Science.gov (United States)

    1994-05-01

    parameters and geometry factor. 57 3.2 Laminar sublayer and buffer layer thicknesses for geometry of Mudawar and Maddox.ŝ 68 3.3 Correlation constants...transfer from simulated electronic chip heat sources that are flush with the flow channel wall. Mudawar and Maddox2" have studied enhanced surfaces...bias error was not estimated; however, the percentage of heat loss measured compares with that previously reported by Mudawar and Maddox19 for a

  20. Surface Characterization of Nanoparticles: Critical Needs and Significant Challenges

    International Nuclear Information System (INIS)

    Baer, Donald R.

    2011-01-01

    There is a growing recognition that nanoparticles and other nanostructured materials are sometimes inadequately characterized and that this may limit or even invalidate some of the conclusions regarding particle properties and behavior. A number of international organizations are working to establish the essential measurement requirements that enable adequate understanding of nanoparticle properties for both technological applications and for environmental health issues. Our research on the interaction of iron metal-core oxide-shell nanoparticles with environmental contaminants and studies of the behaviors of ceria nanoparticles, with a variety of medical, catalysis and energy applications, have highlighted a number of common nanoparticle characterization challenges that have not been fully recognized by parts of the research community. This short review outlines some of these characterization challenges based on our research observations and using other results reported in the literature. Issues highlighted include: (1) the importance of surfaces and surface characterization, (2) nanoparticles are often not created equal - subtle differences in synthesis and processing can have large impacts; (3) nanoparticles frequently change with time having lifetime implications for products and complicating understanding of health and safety impacts; (4) the high sensitivity of nanoparticles to their environment complicates characterization and applications in many ways; (5) nanoparticles are highly unstable and easily altered (damaged) during analysis.

  1. High performance computations using dynamical nucleation theory

    International Nuclear Information System (INIS)

    Windus, T L; Crosby, L D; Kathmann, S M

    2008-01-01

    Chemists continue to explore the use of very large computations to perform simulations that describe the molecular level physics of critical challenges in science. In this paper, we describe the Dynamical Nucleation Theory Monte Carlo (DNTMC) model - a model for determining molecular scale nucleation rate constants - and its parallel capabilities. The potential for bottlenecks and the challenges to running on future petascale or larger resources are delineated. A 'master-slave' solution is proposed to scale to the petascale and will be developed in the NWChem software. In addition, mathematical and data analysis challenges are described

  2. Damage instability and Earthquake nucleation

    Science.gov (United States)

    Ionescu, I. R.; Gomez, Q.; Campillo, M.; Jia, X.

    2017-12-01

    Earthquake nucleation (initiation) is usually associated to the loss of the stability of the geological structure under a slip-weakening friction acting on the fault. The key parameters involved in the stability of the fault are the stress drop, the critical slip distance but also the elastic stiffness of the surrounding materials (rocks). We want to explore here how the nucleation phenomena are correlated to the material softening during damage accumulation by dynamic and/or quasi-static processes. Since damage models are describing micro-cracks growth, which is generally an unstable phenomenon, it is natural to expect some loss of stability on the associated micro-mechanics based models. If the model accurately captures the material behavior, then this can be due to the unstable nature of the brittle material itself. We obtained stability criteria at the microscopic scale, which are related to a large class of damage models. We show that for a given continuous strain history the quasi-static or dynamic problems are instable or ill-posed (multiplicity of material responses) and whatever the selection rule is adopted, shocks (time discontinuities) will occur. We show that the quasi-static equilibria chosen by the "perfect delay convention" is always stable. These stability criteria are used to analyze how NIC (Non Interacting Crack) effective elasticity associated to "self similar growth" model work in some special configurations (one family of micro-cracks in mode I, II and III and in plane strain or plain stress). In each case we determine a critical crack density parameter and critical micro-crack radius (length) which distinguish between stable and unstable behaviors. This critical crack density depends only on the chosen configuration and on the Poisson ratio.

  3. Return to nucleate boiling

    International Nuclear Information System (INIS)

    Shumway, R.W.

    1985-01-01

    This paper presents a collection of TMIN (temperature of return to nucleate boiling) correlations, evaluates them under several conditions, and compares them with a wide range of data. Purpose is to obtain the best one for use in a water reactor safety computer simulator known as TRAC-B. Return to nucleate boiling can occur in a reactor accident at either high or low pressure and flow rates. Most of the correlations yield unrealistic results under some conditions. A new correlation is proposed which overcomes many of the deficiencies

  4. Surface wettability effects on critical heat flux of boiling heat transfer using nanoparticle coatings

    KAUST Repository

    Hsu, Chin-Chi

    2012-06-01

    This study investigates the effects of surface wettability on pool boiling heat transfer. Nano-silica particle coatings were used to vary the wettability of the copper surface from superhydrophilic to superhydrophobic by modifying surface topography and chemistry. Experimental results show that critical heat flux (CHF) values are higher in the hydrophilic region. Conversely, CHF values are lower in the hydrophobic region. The experimental CHF data of the modified surface do not fit the classical models. Therefore, this study proposes a simple model to build the nexus between the surface wettability and the growth of bubbles on the heating surface. © 2012 Elsevier Ltd. All rights reserved.

  5. Microtubule nucleation and organization in dendrites

    Science.gov (United States)

    Delandre, Caroline; Amikura, Reiko; Moore, Adrian W.

    2016-01-01

    ABSTRACT Dendrite branching is an essential process for building complex nervous systems. It determines the number, distribution and integration of inputs into a neuron, and is regulated to create the diverse dendrite arbor branching patterns characteristic of different neuron types. The microtubule cytoskeleton is critical to provide structure and exert force during dendrite branching. It also supports the functional requirements of dendrites, reflected by differential microtubule architectural organization between neuron types, illustrated here for sensory neurons. Both anterograde and retrograde microtubule polymerization occur within growing dendrites, and recent studies indicate that branching is enhanced by anterograde microtubule polymerization events in nascent branches. The polarities of microtubule polymerization events are regulated by the position and orientation of microtubule nucleation events in the dendrite arbor. Golgi outposts are a primary microtubule nucleation center in dendrites and share common nucleation machinery with the centrosome. In addition, pre-existing dendrite microtubules may act as nucleation sites. We discuss how balancing the activities of distinct nucleation machineries within the growing dendrite can alter microtubule polymerization polarity and dendrite branching, and how regulating this balance can generate neuron type-specific morphologies. PMID:27097122

  6. Nonequilibrium thermodynamics of nucleation

    NARCIS (Netherlands)

    Schweizer, M.; Sagis, L.M.C.

    2014-01-01

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a

  7. Homogeneous crystal nucleation in polymers.

    Science.gov (United States)

    Schick, C; Androsch, R; Schmelzer, J W P

    2017-11-15

    The pathway of crystal nucleation significantly influences the structure and properties of semi-crystalline polymers. Crystal nucleation is normally heterogeneous at low supercooling, and homogeneous at high supercooling, of the polymer melt. Homogeneous nucleation in bulk polymers has been, so far, hardly accessible experimentally, and was even doubted to occur at all. This topical review summarizes experimental findings on homogeneous crystal nucleation in polymers. Recently developed fast scanning calorimetry, with cooling and heating rates up to 10 6 K s -1 , allows for detailed investigations of nucleation near and even below the glass transition temperature, including analysis of nuclei stability. As for other materials, the maximum homogeneous nucleation rate for polymers is located close to the glass transition temperature. In the experiments discussed here, it is shown that polymer nucleation is homogeneous at such temperatures. Homogeneous nucleation in polymers is discussed in the framework of the classical nucleation theory. The majority of our observations are consistent with the theory. The discrepancies may guide further research, particularly experiments to progress theoretical development. Progress in the understanding of homogeneous nucleation is much needed, since most of the modelling approaches dealing with polymer crystallization exclusively consider homogeneous nucleation. This is also the basis for advancing theoretical approaches to the much more complex phenomena governing heterogeneous nucleation.

  8. Homogeneous nucleation in 4He: A corresponding-states analysis

    International Nuclear Information System (INIS)

    Sinha, D.N.; Semura, J.S.; Brodie, L.C.

    1982-01-01

    We report homogeneous-nucleation-temperature measurements in liquid 4 He over a bath-temperature range 2.31 4 He, in a region far from the critical point. A simple empirical form is presented for estimating the homogeneous nucleation temperatures for any liquid with a spherically symmetric interatomic potential. The 4 He data are compared with nucleation data for Ar, Kr, Xe, and H; theoretical predictions for 3 He are given in terms of reduced quantities. It is shown that the nucleation data for both quantum and classical liquids obey a quantum law of corresponding states (QCS). On the basis of this QCS analysis, predictions of homogeneous nucleation temperatures are made for hydrogen isotopes such as HD, DT, HT, and T 2

  9. Overview: Nucleation of clathrate hydrates.

    Science.gov (United States)

    Warrier, Pramod; Khan, M Naveed; Srivastava, Vishal; Maupin, C Mark; Koh, Carolyn A

    2016-12-07

    Molecular level knowledge of nucleation and growth of clathrate hydrates is of importance for advancing fundamental understanding on the nature of water and hydrophobic hydrate formers, and their interactions that result in the formation of ice-like solids at temperatures higher than the ice-point. The stochastic nature and the inability to probe the small length and time scales associated with the nucleation process make it very difficult to experimentally determine the molecular level changes that lead to the nucleation event. Conversely, for this reason, there have been increasing efforts to obtain this information using molecular simulations. Accurate knowledge of how and when hydrate structures nucleate will be tremendously beneficial for the development of sustainable hydrate management strategies in oil and gas flowlines, as well as for their application in energy storage and recovery, gas separation, carbon sequestration, seawater desalination, and refrigeration. This article reviews various aspects of hydrate nucleation. First, properties of supercooled water and ice nucleation are reviewed briefly due to their apparent similarity to hydrates. Hydrate nucleation is then reviewed starting from macroscopic observations as obtained from experiments in laboratories and operations in industries, followed by various hydrate nucleation hypotheses and hydrate nucleation driving force calculations based on the classical nucleation theory. Finally, molecular simulations on hydrate nucleation are discussed in detail followed by potential future research directions.

  10. Overview: Nucleation of clathrate hydrates

    Science.gov (United States)

    Warrier, Pramod; Khan, M. Naveed; Srivastava, Vishal; Maupin, C. Mark; Koh, Carolyn A.

    2016-12-01

    Molecular level knowledge of nucleation and growth of clathrate hydrates is of importance for advancing fundamental understanding on the nature of water and hydrophobic hydrate formers, and their interactions that result in the formation of ice-like solids at temperatures higher than the ice-point. The stochastic nature and the inability to probe the small length and time scales associated with the nucleation process make it very difficult to experimentally determine the molecular level changes that lead to the nucleation event. Conversely, for this reason, there have been increasing efforts to obtain this information using molecular simulations. Accurate knowledge of how and when hydrate structures nucleate will be tremendously beneficial for the development of sustainable hydrate management strategies in oil and gas flowlines, as well as for their application in energy storage and recovery, gas separation, carbon sequestration, seawater desalination, and refrigeration. This article reviews various aspects of hydrate nucleation. First, properties of supercooled water and ice nucleation are reviewed briefly due to their apparent similarity to hydrates. Hydrate nucleation is then reviewed starting from macroscopic observations as obtained from experiments in laboratories and operations in industries, followed by various hydrate nucleation hypotheses and hydrate nucleation driving force calculations based on the classical nucleation theory. Finally, molecular simulations on hydrate nucleation are discussed in detail followed by potential future research directions.

  11. Nucleation of recrystallization in fine-grained materials: an extension of the Bailey-Hirsch criterion

    Science.gov (United States)

    Favre, Julien; Fabrègue, Damien; Chiba, Akihiko; Bréchet, Yves

    2013-11-01

    A new criterion for nucleation in the case of dynamic recrystallization is proposed in order to include the contribution of the grain boundary energy stored in the microstructure in the energy balance. Due to the nucleation events, the total surface area of pre-existing grain boundaries decreases, leading to a nucleus size smaller than expected by conventional nucleation criteria. The new model provides a better prediction of the nucleus size during recrystallization of pure copper compared with the conventional nucleation criterion.

  12. Nucleation in Synoptically Forced Cirrostratus

    Science.gov (United States)

    Lin, R.-F.; Starr, D. OC.; Reichardt, J.; DeMott, P. J.

    2004-01-01

    Formation and evolution of cirrostratus in response to weak, uniform and constant synoptic forcing is simulated using a one-dimensional numerical model with explicit microphysics, in which the particle size distribution in each grid box is fully resolved. A series of tests of the model response to nucleation modes (homogeneous-freezing-only/heterogeneous nucleation) and heterogeneous nucleation parameters are performed. In the case studied here, nucleation is first activated in the prescribed moist layer. A continuous cloud-top nucleation zone with a depth depending on the vertical humidity gradient and one of the nucleation parameters is developed afterward. For the heterogeneous nucleation cases, intermittent nucleation zones in the mid-upper portion of the cloud form where the relative humidity is on the rise, because existent ice crystals do not uptake excess water vapor efficiently, and ice nuclei (IN) are available. Vertical resolution as fine as 1 m is required for realistic simulation of the homogeneous-freezing-only scenario, while the model resolution requirement is more relaxed in the cases where heterogeneous nucleation dominates. Bulk microphysical and optical properties are evaluated and compared. Ice particle number flux divergence, which is due to the vertical gradient of the gravity-induced particle sedimentation, is constantly and rapidly changing the local ice number concentration, even in the nucleation zone. When the depth of the nucleation zone is shallow, particle number concentration decreases rapidly as ice particles grow and sediment away from the nucleation zone. When the depth of the nucleation zone is large, a region of high ice number concentration can be sustained. The depth of nucleation zone is an important parameter to be considered in parametric treatments of ice cloud generation.

  13. Adherent nanoparticles-mediated micro- and nanobubble nucleation

    Science.gov (United States)

    Chan, Chon U.; Chen, Long Quan; Lippert, Alexander; Arora, Manish; Ohl, Claus-Dieter

    2014-11-01

    Surface nanobubbles are commonly nucleated through water-ethanol-water exchange. It is believed that the higher gas solubility in ethanol and exothermic mixing leads to a supersaturation of gas in water. However details of the nucleation dynamic are still unknown. Here we apply the exchange process onto a glass surface deposited with nanoparticles and monitor the dynamics optically at video frame rates. During exchange bubbles of a few micron in diameter nucleate at the sites of nanoparticles. These microbubbles eventually dissolve in ethanol but are stable in water. This agrees with the nucleation process observed for surface nanobubbles. Also we find a reduction of surface attached nanobubbles near the particles, which might be due to gas uptake from the microbubble growth. Finally, high speed recordings reveal stick-slip motion of the triple contact line during the growth process. We will discuss possibilities of utilizing the findings for contamination detection and ultrasonic cleaning.

  14. Surface critical behavior and scaling functions for the three-dimensional mean spherical model

    Energy Technology Data Exchange (ETDEWEB)

    Amin, Magdy E. [Mathematics Department, Ar' ar Teacher College, Kingdom of Saudi Arabia (Saudi Arabia) and Mathematics Department, Faculty of Science, Minia University (Egypt)]. E-mail: aminmagdy@yahoo.com

    2006-10-09

    The d-dimensional mean spherical model on a fully finite L{sup d} simple cubic lattice with Neumann-Dirichlet boundary conditions is considered in the presence of a surface external fields acting at the surfaces bounding the system. Exact calculations are evaluated for the fully finite system and in the case of a film geometry Lx{approx}{sup d-1}. Critical finite-size scaling functions both for the specific heat and the mean-square magnetization are derived and investigated close to and below the bulk critical temperature K{sub c}.

  15. Interaction of the nucleation phenomena at adjacent sites in nucleate boiling

    International Nuclear Information System (INIS)

    Sultan, M.; Judd, R.L.

    1983-01-01

    The present investigation is an original study in nucleate pool boiling heat transfer combining theory and experiment in which water boiling at atmospheric pressure on a single copper surface at two different levels of heat and different levels of subcooling was studied. Cross spectral analysis of the signals generated by the emission of bubbles at adjacent nucleation sites was used to determine the relationship of the time elapsed between the start of bubble growth at the two neighbouring active sites with the distance separating them. The experimental results obtained indicated that for the lower level of heat flux at three different levels of subcooling, the elapsed time and distance were directly related. Theoretical predictions of a temperature disturbance propagating through the heating surface in the radial direction gave good agreement with the experimental findings, suggesting that this is the mechanism responsible for the activation of the surrounding nucleation sites

  16. Experimental study of ion-induced nucleation by radon decay

    International Nuclear Information System (INIS)

    He, F.; Hopke, P.K.

    1993-01-01

    In the environment, the presence of ions from natural radioactivity may increase the rate of new particle formation through ion-induced nucleation. A thermal diffusion cloud chamber (TDCC) has been built to experimentally study ion-induced nucleation where the ions are produced by gaseous radioactive sources. The critical supersaturation values and nucleation rates for methanol, ethanol, 1-propanol, and 1-butanol vapors on ions produced within the volume of the chamber by alpha decay of 222 Rn have been measured quantitatively at various radioactivity concentrations and supersaturations. The presence of ion tracks and the effect of an external electric field were also investigated. The alpha tracks and ion-induced nucleation formed by 222 Rn decay become visible at the critical supersaturation that is below the value needed for homogeneous nucleation. At this supersaturation, the nucleation rates increase substantially with increasing 222 Rn at low activity concentrations, but attain limiting values at higher concentrations. The experimental results indicate that the ionization by radon decay will promote ion-cluster formation and lower the free energy barriers. The formation of visible droplets is strongly dependent on the supersaturation. This study also confirms that the external electric field has a significant effect on the observed rates of nucleation

  17. Modeling and Thermal Performance Evaluation of Porous Curd Layers in Sub-Cooled Boiling Region of PWRs and Effects of Sub-Cooled Nucleate Boiling on Anomalous Porous Crud Deposition on Fuel Pin Surfaces

    International Nuclear Information System (INIS)

    Barclay Jones

    2005-01-01

    A significant number of current PWRs around the world are experiencing anomalous crud deposition in the sub-cooled region of the core, resulting in an axial power shift or Axial Offset Anomaly (AOA), a condition that continues to elude prediction of occurrence and thermal/neutronic performance. This creates an operational difficulty of not being able to accurately determine power safety margin. In some cases this condition has required power ''down rating'' by as much as thirty percent and the concomitant considerable loss of revenue for the utility. This study examines two aspects of the issue: thermal performance of crud layer and effect of sub-cooled nucleate boiling on the solute concentration and its influence on initiation of crud deposition/formation on fuel pin surface

  18. Cavitation nucleation in gelatin: Experiment and mechanism.

    Science.gov (United States)

    Kang, Wonmo; Adnan, Ashfaq; O'Shaughnessy, Thomas; Bagchi, Amit

    2018-02-01

    Dynamic cavitation in soft materials is becoming increasingly relevant due to emerging medical implications such as the potential of cavitation-induced brain injury or cavitation created by therapeutic medical devices. However, the current understanding of dynamic cavitation in soft materials is still very limited, mainly due to lack of robust experimental techniques. To experimentally characterize cavitation nucleation under dynamic loading, we utilize a recently developed experimental instrument, the integrated drop tower system. This technique allows quantitative measurements of the critical acceleration (a cr ) that corresponds to cavitation nucleation while concurrently visualizing time evolution of cavitation. Our experimental results reveal that a cr increases with increasing concentration of gelatin in pure water. Interestingly, we have observed the distinctive transition from a sharp increase (pure water to 1% gelatin) to a much slower rate of increase (∼10× slower) between 1% and 7.5% gelatin. Theoretical cavitation criterion predicts the general trend of increasing a cr , but fails to explain the transition rates. As a likely mechanism, we consider concentration-dependent material properties and non-spherical cavitation nucleation sites, represented by pre-existing bubbles in gels, due to possible interplay between gelatin molecules and nucleation sites. This analysis shows that cavitation nucleation is very sensitive to the initial configuration of a bubble, i.e., a non-spherical bubble can significantly increase a cr . This conclusion matches well with the experimentally observed liquid-to-gel transition in the critical acceleration for cavitation nucleation. From a medical standpoint, understanding dynamic cavitation within soft materials, i.e., tissues, is important as there are both potential injury implications (blast-induced cavitation within the brain) as well as treatments utilizing the phenomena (lithotripsy). In this regard, the main

  19. Critical Assessment of the Surface Tension determined by the Maximum Pressure Bubble Method

    OpenAIRE

    Benedetto, Franco Emmanuel; Zolotucho, Hector; Prado, Miguel Oscar

    2015-01-01

    The main factors that influence the value of surface tension of a liquid measured with the Maximum Pressure Bubble Method are critically evaluated. We present experimental results showing the effect of capillary diameter, capillary depth, bubble spheroidicity and liquid density at room temperature. We show that the decrease of bubble spheroidicity due to increase of capillary immersion depth is not sufficient to explain the deviations found in the measured surface tension values. Thus, we pro...

  20. Thermokinetics of heterogeneous droplet nucleation on conically textured substrates.

    Science.gov (United States)

    Singha, Sanat K; Das, Prasanta K; Maiti, Biswajit

    2015-11-28

    Within the framework of the classical theory of heterogeneous nucleation, a thermokinetic model is developed for line-tension-associated droplet nucleation on conical textures considering growth or shrinkage of the formed cluster due to both interfacial and peripheral monomer exchange and by considering different geometric configurations. Along with the principle of free energy extremization, Katz kinetic approach has been employed to study the effect of substrate conicity and wettability on the thermokinetics of heterogeneous water droplet nucleation. Not only the peripheral tension is found to have a considerable effect on the free energy barrier but also the substrate hydrophobicity and hydrophilicity are observed to switch over their roles between conical crest and trough for different growth rates of the droplet. Besides, the rate of nucleation increases and further promotes nucleation for negative peripheral tension as it diminishes the free energy barrier appreciably. Moreover, nucleation inhibition can be achievable for positive peripheral tension due to the enhancement of the free energy barrier. Analyzing all possible geometric configurations, the hydrophilic narrower conical cavity is found to be the most preferred nucleation site. These findings suggest a physical insight into the context of surface engineering for the promotion or the suppression of nucleation on real or engineered substrates.

  1. Detection of the departure from nucleate boiling (DNB) in nuclear fuel rod simulators

    Energy Technology Data Exchange (ETDEWEB)

    Mesquita, Amir Z.; Rezende, Hugo C.; Santos, Andre Augusto C.; Silva, Vitor Vasconcelos A.; Campolina, Daniel de Almeida M., E-mail: amir@cdtn.br, E-mail: hcr@cdtn.br, E-mail: aacs@cdtn.br, E-mail: vitors@cdtn.br, E-mail: campolina@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/UFMG), Belo Horizonte, MG (Brazil). Servico de Tecnologia de Reatores; Palma, Daniel Artur P., E-mail: dapalma@cnen.gov.br [Comissao Nacional de Energia Nuclear (CNEN), Rio de Janeiro, RJ (Brazil)

    2013-07-01

    In the thermal hydraulic experiments to determinate parameters of heat transfer, where fuel rod simulators are heated by electric current, the preservation of the simulators are essential when the heat flux goes to the critical point. One of the most important limits in the design of cooling water reactors is the condition in which the heat transfer coefficient by boiling in the core deteriorates itself. The departure from nucleate boiling (DNB) happens in the area of low steam quality when there is nucleus formation of bubbles. This result in a departure from nucleate boiling in which steam bubbles no longer break away from the solid surface of the channel, bubbles dominate the channel or surface, and the heat flux dramatically decreases. Vapor essentially insulates the bulk liquid from the hot surface. At this time, the small increase in the heat flux or in the inlet temperature of the cooler in the core, or the small decrease in the inlet flux of cooling, results in changes in the heat transfer mechanism. This causes increases in the surface temperature of the fuel elements causing failures at the fuel (burnout). This paper describes the experiments conducted to detection of critical heat flux in nuclear fuel element simulators carried out in the thermal-hydraulic laboratory of Nuclear Technology Development Centre (CDTN). It is concluded that the use of displacement transducer is the most efficient technique for detecting of critical heat flux in nuclear simulators heated by electric current in open pool. (author)

  2. Detection of the departure from nucleate boiling (DNB) in nuclear fuel rod simulators

    International Nuclear Information System (INIS)

    Mesquita, Amir Z.; Rezende, Hugo C.; Santos, Andre Augusto C.; Silva, Vitor Vasconcelos A.; Campolina, Daniel de Almeida M.

    2013-01-01

    In the thermal hydraulic experiments to determinate parameters of heat transfer, where fuel rod simulators are heated by electric current, the preservation of the simulators are essential when the heat flux goes to the critical point. One of the most important limits in the design of cooling water reactors is the condition in which the heat transfer coefficient by boiling in the core deteriorates itself. The departure from nucleate boiling (DNB) happens in the area of low steam quality when there is nucleus formation of bubbles. This result in a departure from nucleate boiling in which steam bubbles no longer break away from the solid surface of the channel, bubbles dominate the channel or surface, and the heat flux dramatically decreases. Vapor essentially insulates the bulk liquid from the hot surface. At this time, the small increase in the heat flux or in the inlet temperature of the cooler in the core, or the small decrease in the inlet flux of cooling, results in changes in the heat transfer mechanism. This causes increases in the surface temperature of the fuel elements causing failures at the fuel (burnout). This paper describes the experiments conducted to detection of critical heat flux in nuclear fuel element simulators carried out in the thermal-hydraulic laboratory of Nuclear Technology Development Centre (CDTN). It is concluded that the use of displacement transducer is the most efficient technique for detecting of critical heat flux in nuclear simulators heated by electric current in open pool. (author)

  3. An approach to determine a critical size for rolling contact fatigue initiating from rail surface defects

    NARCIS (Netherlands)

    Li, Z.; Zhao, X.; Dollevoet, R.P.B.J.

    2016-01-01

    A methodology for the determination of a critical size of surface defects, above which RCF can initiate, has been developed and demonstrated with its application to the passive type of squats under typical Dutch railway loading conditions. Such a methodology is based on stress evaluation of

  4. Basement to surface expressions and critical factors in the genesis of unconformity-related deposits

    International Nuclear Information System (INIS)

    Potter, Eric

    2014-01-01

    Two subprojects: 1) Basement to surface expressions of deep mineralization and refinement of critical factors leading to the genesis of unconformity-related uranium deposits; and 2) Recognition of uranium ore system alteration signatures in complex terranes: IOCG vs albite-hosted uranium vs volcanic-hosted uranium.

  5. Estimation of the Critical Temperatures of Some More Deep Eutectic Solvents from Their Surface Tensions

    Directory of Open Access Journals (Sweden)

    Yizhak Marcus

    2018-01-01

    Full Text Available The critical temperatures of two dozen deep eutectic solvents, for only some of which these have been estimated previously, were estimated from the temperature dependences of their surface tensions and densities available in the literature according to the Eötvös and the Guggenheim expressions.

  6. Nucleation theory - Is replacement free energy needed?. [error analysis of capillary approximation

    Science.gov (United States)

    Doremus, R. H.

    1982-01-01

    It has been suggested that the classical theory of nucleation of liquid from its vapor as developed by Volmer and Weber (1926) needs modification with a factor referred to as the replacement free energy and that the capillary approximation underlying the classical theory is in error. Here, the classical nucleation equation is derived from fluctuation theory, Gibb's result for the reversible work to form a critical nucleus, and the rate of collision of gas molecules with a surface. The capillary approximation is not used in the derivation. The chemical potential of small drops is then considered, and it is shown that the capillary approximation can be derived from thermodynamic equations. The results show that no corrections to Volmer's equation are needed.

  7. Bubbles in Titan’s Seas: Nucleation, Growth, and RADAR Signature

    Science.gov (United States)

    Cordier, Daniel; Liger-Belair, Gérard

    2018-05-01

    In the polar regions of Titan, the main satellite of Saturn, hydrocarbon seas have been discovered by the Cassini–Huygens mission. RADAR observations have revealed surprising and transient bright areas over the Ligeia Mare surface. As suggested by recent research, bubbles could explain these strange features. However, the nucleation and growth of such bubbles, together with their RADAR reflectivity, have never been investigated. All of these aspects are critical to an actual observation. We have thus applied the classical nucleation theory to our context, and we developed a specific radiative transfer model that is appropriate for bubble streams in cryogenic liquids. According to our results, the sea bed appears to be the most plausible place for the generation of bubbles, leading to a signal comparable to observations. This conclusion is supported by thermodynamic arguments and by RADAR properties of a bubbly column. The latter are also valid in the case of bubble plumes, due to gas leaking from the sea floor.

  8. Experimental investigation of pool boiling heat transfer and critical heat flux on a downward facing surface

    International Nuclear Information System (INIS)

    Gocmanac, M.; Luxat, J.C.

    2012-01-01

    A separate effects experimental study of heat transfer and Critical Heat Flux (CHF) on a downward facing plate in subcooled water pool boiling is described. Two geometries of downwards facing surfaces are studied. The first is termed the 'confined' study in which bubble motion is restricted to the heated surface. The second is termed the 'unconfined' study where individual bubbles are free to move along the heated surface and vent in any direction. The method used in the confined study is novel and involves the placement of a lip surrounding the heated surface. The CHF as a function of angle of inclination of the surface is presented and is in good agreement with other experimental data from somewhat different test geometries. (author)

  9. Critical heat flux for downward-facing pool boiling on CANDU calandria tube surface

    Energy Technology Data Exchange (ETDEWEB)

    Behdadi, Azin, E-mail: behdada@mcmaster.ca; Talebi, Farshad; Luxat, John

    2017-04-15

    Highlights: • Pressure tube-calandria tube contact may challenge fuel channel integrity in CANDU. • Critical heat flux variation is predicted on the outer surface of CANDU calandria tube. • A two-phase boundary layer flow driven by buoyancy is modeled on the surface. • Different slip ratios and flow regimes are considered inside the boundary layer. • Subcooling effects are added to the model using wall heat flux partitioning. - Abstract: One accident scenario in CANDU reactors that can challenge the integrity of the primary pressure boundary is a loss of coolant accident, referred to as critical break LOCA, in which the pressure tube (PT) can undergo thermal creep strain deformation and contact its calandria tube (CT). In such case, rapid redistribution of stored heat from PT to CT, leads to a large spike in heat flux to the moderator which can cause bubble accumulation and dryout on the CT surface. A challenge to fuel channel integrity is posed if critical heat flux occurs on the surface of the CT and results in sustained film boiling. If the post-dryout temperature becomes sufficiently high then continued creep strain of the PT and CT may lead to fuel channel failure. In this study, a mechanistic model is developed to predict the critical heat flux variations along the downward facing outer surface of CT. The hydrodynamic model considers a liquid macrolayer beneath an elongated vapor slug on the surface. Local dryout is postulated to occur whenever the fresh liquid supply to the macrolayer is not sufficient to compensate for the liquid depletion. A boundary layer analysis is performed, treating the two phase motion as an external buoyancy driven flow. The model shows good agreement with the available experimental data and has been modified to take into account the effect of subcooling.

  10. Heterogeneous nucleation of protein crystals on fluorinated layered silicate.

    Directory of Open Access Journals (Sweden)

    Keita Ino

    Full Text Available Here, we describe an improved system for protein crystallization based on heterogeneous nucleation using fluorinated layered silicate. In addition, we also investigated the mechanism of nucleation on the silicate surface. Crystallization of lysozyme using silicates with different chemical compositions indicated that fluorosilicates promoted nucleation whereas the silicates without fluorine did not. The use of synthesized saponites for lysozyme crystallization confirmed that the substitution of hydroxyl groups contained in the lamellae structure for fluorine atoms is responsible for the nucleation-inducing property of the nucleant. Crystallization of twelve proteins with a wide range of pI values revealed that the nucleation promoting effect of the saponites tended to increase with increased substitution rate. Furthermore, the saponite with the highest fluorine content promoted nucleation in all the test proteins regardless of their overall net charge. Adsorption experiments of proteins on the saponites confirmed that the density of adsorbed molecules increased according to the substitution rate, thereby explaining the heterogeneous nucleation on the silicate surface.

  11. Critical heat flux (CHF) phenomenon on a downward facing curved surface

    Energy Technology Data Exchange (ETDEWEB)

    Cheung, F.B.; Haddad, K.H.; Liu, Y.C. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Mechanical Engineering

    1997-06-01

    This report describes a theoretical and experimental study of the boundary layer boiling and critical heat flux phenomena on a downward facing curved heating surface, including both hemispherical and toroidal surfaces. A subscale boundary layer boiling (SBLB) test facility was developed to measure the spatial variation of the critical heat flux and observe the underlying mechanisms. Transient quenching and steady-state boiling experiments were performed in the SBLB facility under both saturated and subcooled conditions to obtain a complete database on the critical heat flux. To complement the experimental effort, an advanced hydrodynamic CHF model was developed from the conservation laws along with sound physical arguments. The model provides a clear physical explanation for the spatial variation of the CHF observed in the SBLB experiments and for the weak dependence of the CHF data on the physical size of the vessel. Based upon the CHF model, a scaling law was established for estimating the local critical heat flux on the outer surface of a heated hemispherical vessel that is fully submerged in water. The scaling law, which compares favorably with all the available local CHF data obtained for various vessel sizes, can be used to predict the local CHF limits on large commercial-size vessels. This technical information represents one of the essential elements that is needed in assessing the efficacy of external cooling of core melt by cavity flooding as a severe accident management strategy. 83 figs., 3 tabs.

  12. Critical heat flux (CHF) phenomenon on a downward facing curved surface

    International Nuclear Information System (INIS)

    Cheung, F.B.; Haddad, K.H.; Liu, Y.C.

    1997-06-01

    This report describes a theoretical and experimental study of the boundary layer boiling and critical heat flux phenomena on a downward facing curved heating surface, including both hemispherical and toroidal surfaces. A subscale boundary layer boiling (SBLB) test facility was developed to measure the spatial variation of the critical heat flux and observe the underlying mechanisms. Transient quenching and steady-state boiling experiments were performed in the SBLB facility under both saturated and subcooled conditions to obtain a complete database on the critical heat flux. To complement the experimental effort, an advanced hydrodynamic CHF model was developed from the conservation laws along with sound physical arguments. The model provides a clear physical explanation for the spatial variation of the CHF observed in the SBLB experiments and for the weak dependence of the CHF data on the physical size of the vessel. Based upon the CHF model, a scaling law was established for estimating the local critical heat flux on the outer surface of a heated hemispherical vessel that is fully submerged in water. The scaling law, which compares favorably with all the available local CHF data obtained for various vessel sizes, can be used to predict the local CHF limits on large commercial-size vessels. This technical information represents one of the essential elements that is needed in assessing the efficacy of external cooling of core melt by cavity flooding as a severe accident management strategy. 83 figs., 3 tabs

  13. Nucleation and growth of polycrystalline SiC

    DEFF Research Database (Denmark)

    Kaiser, M.; Schimmel, S.; Jokubavicius, V.

    2014-01-01

    The nucleation and bulk growth of polycrystalline SiC in a 2 inch PVT setup using isostatic and pyrolytic graphite as substrates was studied. Textured nucleation occurs under near-thermal equilibrium conditions at the initial growth stage with hexagonal platelet shaped crystallites of 4H, 6H and 15......R polytypes. It is found that pyrolytic graphite results in enhanced texturing of the nucleating gas species. Reducing the pressure leads to growth of the crystallites until a closed polycrystalline SiC layer containing voids with a rough surface is developed. Bulk growth was conducted at 35 mbar Ar...

  14. Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory.

    Science.gov (United States)

    Langenbach, K; Heilig, M; Horsch, M; Hasse, H

    2018-03-28

    A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO 2 ). The molecular model of CO 2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

  15. Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory

    Science.gov (United States)

    Langenbach, K.; Heilig, M.; Horsch, M.; Hasse, H.

    2018-03-01

    A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO2). The molecular model of CO2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

  16. Do protein crystals nucleate within dense liquid clusters?

    International Nuclear Information System (INIS)

    Maes, Dominique; Vorontsova, Maria A.; Potenza, Marco A. C.; Sanvito, Tiziano; Sleutel, Mike; Giglio, Marzio; Vekilov, Peter G.

    2015-01-01

    The evolution of protein-rich clusters and nucleating crystals were characterized by dynamic light scattering (DLS), confocal depolarized dynamic light scattering (cDDLS) and depolarized oblique illumination dark-field microscopy. Newly nucleated crystals within protein-rich clusters were detected directly. These observations indicate that the protein-rich clusters are locations for crystal nucleation. Protein-dense liquid clusters are regions of high protein concentration that have been observed in solutions of several proteins. The typical cluster size varies from several tens to several hundreds of nanometres and their volume fraction remains below 10 −3 of the solution. According to the two-step mechanism of nucleation, the protein-rich clusters serve as locations for and precursors to the nucleation of protein crystals. While the two-step mechanism explained several unusual features of protein crystal nucleation kinetics, a direct observation of its validity for protein crystals has been lacking. Here, two independent observations of crystal nucleation with the proteins lysozyme and glucose isomerase are discussed. Firstly, the evolutions of the protein-rich clusters and nucleating crystals were characterized simultaneously by dynamic light scattering (DLS) and confocal depolarized dynamic light scattering (cDDLS), respectively. It is demonstrated that protein crystals appear following a significant delay after cluster formation. The cDDLS correlation functions follow a Gaussian decay, indicative of nondiffusive motion. A possible explanation is that the crystals are contained inside large clusters and are driven by the elasticity of the cluster surface. Secondly, depolarized oblique illumination dark-field microscopy reveals the evolution from liquid clusters without crystals to newly nucleated crystals contained in the clusters to grown crystals freely diffusing in the solution. Collectively, the observations indicate that the protein-rich clusters in

  17. Numerical investigation of nucleate pool boiling heat transfer

    Directory of Open Access Journals (Sweden)

    Stojanović Andrijana D.

    2016-01-01

    Full Text Available Multidimensional numerical simulation of the atmospheric saturated pool boiling is performed. The applied modelling and numerical methods enable a full representation of the liquid and vapour two-phase mixture behaviour on the heated surface, with included prediction of the swell level and heated wall temperature field. In this way the integral behaviour of nucleate pool boiling is simulated. The micro conditions of bubble generation at the heated wall surface are modelled by the bubble nucleation site density, the liquid wetting contact angle and the bubble grow time. The bubble nucleation sites are randomly located within zones of equal size, where the number of zones equals the nucleation site density. The conjugate heat transfer from the heated wall to the liquid is taken into account in wetted heated wall areas around bubble nucleation sites. The boiling curve relation between the heat flux and the heated wall surface temperature in excess of the saturation temperature is predicted for the pool boiling conditions reported in the literature and a good agreement is achieved with experimentally measured data. The influence of the nucleation site density on the boiling curve characteristic is confirmed. In addition, the influence of the heat flux intensity on the spatial effects of vapour generation and two-phase flow are shown, such as the increase of the swell level position and the reduced wetting of the heated wall surface by the heat flux increase. [Projekat Ministarstva nauke Republike Srbije, br. TR-33018 i br. OI-174014

  18. Phase nucleation and evolution mechanisms in heterogeneous solids

    Science.gov (United States)

    Udupa, Anirudh

    Phase nucleation and evolution is a problem of critical importance in many applications. As the length scales are reduced, it becomes increasingly important to consider interfacial and micro-structural effects that can be safely ignored at larger length scales owing to randomness. The theory of phase nucleation has been addressed usually by the classical nucleation theory, which was originally derived for single component fluid systems, after making an assumption of equilibrium. The criterion has not been rigorously derived for solids, which are far from equilibrium due to dissipation by multiple physical drivers. In this thesis, a thermodynamically sound nucleation criterion is derived for systems with multiple interacting physical phenomena and multiple dissipating mechanisms. This is done, using the tools of continuum mechanics, by determining the change in free energy upon the introduction of a new nucleus into the system. The developed theory is demonstrated to be a generalization of the classical nucleation theory (CNT). The developed theory is then applied to the problem of electromigration driven void nucleation, a serious reliability concern for the microelectronics industry. The void grows and eventually severs the line making the chip nonfunctional. There are two classes of theories at present in the electromigration literature to address the problem of void nucleation, the vacancy supersaturation theory and the entropic dissipation theory, both of which are empirical and based on intuition developed from experimental observations. When the developed theory was applied to the problem of electromigration, it was found to be consistent with the vacancy supersaturation theory, but provided the correct energetic quantity, the chemical potential, which has contribution from both the vacancy concentration as well as the hydrostatic stress. An experiment, consisting of electromigration tests on serpentine lines, was developed to validate the developed

  19. Quantum critical fluctuations due to nested Fermi surface: The case of spinless fermions

    International Nuclear Information System (INIS)

    Schlottmann, P.

    2007-01-01

    A quantum critical point (QCP) can be obtained by tuning the critical temperature of a second-order phase transition to zero. A simple model of spinless fermions with nested Fermi surface leading to a charge density wave is considered. The QCP is obtained by tuning the nesting mismatch of the Fermi surface, which has the following consequences: (i) For the tuned QCP, the specific heat over T and the effective mass increase with the logarithm of the temperature as T is lowered. (ii) For the tuned QCP the linewidth of the quasi-particles is sublinear in T and ω. (iii) The specific heat and the linewidth display a crossover from non-Fermi liquid (∼T) to Fermi liquid (∼T 2 ) behavior with increasing nesting mismatch and decreasing temperature. (iv) For the tuned QCP, the dynamical charge susceptibility has a quasi-elastic peak with a linewidth proportional to T. (v) For non-critical Fermi vector mismatch the peak is inelastic. (vi) While the specific heat and the quasi-particle linewidth are only weakly dependent on the geometry of the nested Fermi surfaces, the momentum-dependent dynamical susceptibility is expected to be affected by the shape of the Fermi surface

  20. Pre-activation of ice-nucleating particles by the pore condensation and freezing mechanism

    Directory of Open Access Journals (Sweden)

    R. Wagner

    2016-02-01

    Full Text Available In spite of the resurgence in ice nucleation research a comparatively small number of studies deal with the phenomenon of pre-activation in heterogeneous ice nucleation. Fifty years ago, it was shown that various mineral dust and volcanic ash particles can be pre-activated to become nuclei for ice crystal formation even at temperatures as high as 270–271 K. Pre-activation was achieved under ice-subsaturated conditions without any preceding macroscopic ice growth by just temporarily cooling the particles to temperatures below 228 K. A two-step mechanism involving capillary condensation of supercooled water and subsequent homogeneous freezing was proposed to account for the particles' enhanced ice nucleation ability at high temperatures. This work reinvestigates the efficiency of the proposed pre-activation mechanism in temperature-cycling experiments performed in a large cloud chamber with suspended particles. We find the efficiency to be highest for the clay mineral illite as well as for highly porous materials like zeolite and diatomaceous earth, whereas most aerosols generated from desert dust surface samples did not reveal a measurable pre-activation ability. The pre-activation efficiency is linked to particle pores in a certain size range. As estimated by model calculations, only pores with diameters between about 5 and 8 nm contribute to pre-activation under ice-subsaturated conditions. This range is set by a combination of requirements from the negative Kelvin effect for condensation and a critical size of ice embryos for ice nucleation and melting. In contrast to the early study, pre-activation is only observed for temperatures below 260 K. Above that threshold, the particles' improved ice nucleation ability disappears due to the melting of ice in the pores.

  1. Nucleation and droplet growth from supersaturated vapor at temperatures below the triple point temperature

    DEFF Research Database (Denmark)

    Toxværd, Søren

    2016-01-01

    temperature Ttr.p. crystallizes via a liquid droplet is an example of Ostwald's step rule. The homogeneous nucleation in the supersaturated gas is not to a crystal, but to a liquid-like critical nucleus. We have for the first time performed constant energy (NVE) Molecular Dynamics (MD) of homogeneous...... nucleation without the use of a thermostat. The simulations of homogeneous nucleation in a Lennard-Jones system from supersaturated vapor at temperatures below Ttr.p. reveals that the nucleation to a liquid-like critical nucleus is initiated by a small cold cluster [S. Toxvaerd, J. Chem. Phys. \\textbf{143...

  2. Homogeneous versus heterogeneous zeolite nucleation

    NARCIS (Netherlands)

    Dokter, W.H.; Garderen, van H.F.; Beelen, T.P.M.; Santen, van R.A.; Bras, W.

    1995-01-01

    Aggregates of fractal dimension were found in the intermediate gel phases that organize prior to nucleation and crystallization (shown right) of silicalite from a homogeneous reaction mixture. Small- and wide-angle X-ray scattering studies prove that for zeolites nucleation may be homogeneous or

  3. Theory and Simulation of Nucleation

    NARCIS (Netherlands)

    Kuipers, J.|info:eu-repo/dai/nl/304832049

    2009-01-01

    Nucleation is the process where a stable nucleus spontaneously emerges in a metastable environment. Examples of nucleation abound, for instance the formation of droplets in undercooled gasses and of crystals in undercooled liquids. The process is thermally activated and is key to understanding

  4. Overview: Understanding nucleation phenomena from simulations of lattice gas models

    International Nuclear Information System (INIS)

    Binder, Kurt; Virnau, Peter

    2016-01-01

    Monte Carlo simulations of homogeneous and heterogeneous nucleation in Ising/lattice gas models are reviewed with an emphasis on the general insight gained on the mechanisms by which metastable states decay. Attention is paid to the proper distinction of particles that belong to a cluster (droplet), that may trigger a nucleation event, from particles in its environment, a problem crucial near the critical point. Well below the critical point, the lattice structure causes an anisotropy of the interface tension, and hence nonspherical droplet shapes result, making the treatment nontrivial even within the conventional classical theory of homogeneous nucleation. For temperatures below the roughening transition temperature facetted crystals rather than spherical droplets result. The possibility to find nucleation barriers from a thermodynamic analysis avoiding a cluster identification on the particle level is discussed, as well as the question of curvature corrections to the interfacial tension. For the interpretation of heterogeneous nucleation at planar walls, knowledge of contact angles and line tensions is desirable, and methods to extract these quantities from simulations will be mentioned. Finally, also the problem of nucleation near the stability limit of metastable states and the significance of the spinodal curve will be discussed, in the light of simulations of Ising models with medium range interactions.

  5. New Ion-Nucleation Mechanism Relevant for the Earth's Atmosphere

    DEFF Research Database (Denmark)

    Marsh, N.D.; Svensmark, Henrik; Pedersen, Jens Olaf Pepke

    Experimental studies of ultra-fine aerosol nucleation in clean atmospheric air, containing trace amounts of ozone, sulphur dioxide, and water vapour suggest that the production rate of critical clusters is sensitive to ionisation. To assess this sensitivity numerical simulations of the initial...... stages of particle coagulation and condensation have been performed and compared with the experimental results. The simulations indicate that a stable distribution of sub 3nm particles exists that cannot be detected using standard techniques for measuring atmospheric aerosol, and that the nucleation rate...... of critical clusters generating this distribution is a function of the number of ions present. This provides a set of boundary conditions, which constrain the properties of a possible microphysical mechanism. The role of ions in the nucleation process of critical clusters provides a source for new aerosol...

  6. Acoustic Effects in Classical Nucleation Theory

    Science.gov (United States)

    Baird, J. K.; Su, C.-H.

    2017-01-01

    The effect of sound wave oscillations on the rate of nucleation in a parent phase can be calculated by expanding the free energy of formation of a nucleus of the second phase in powers of the acoustic pressure. Since the period of sound wave oscillation is much shorter than the time scale for nucleation, the acoustic effect can be calculated as a time average of the free energy of formation of the nucleus. The leading non-zero term in the time average of the free energy is proportional to the square of the acoustic pressure. The Young-Laplace equation for the surface tension of the nucleus can be used to link the time average of the square of the pressure in the parent phase to its time average in the nucleus of the second phase. Due to the surface tension, the pressure in the nuclear phase is higher than the pressure in the parent phase. The effect is to lower the free energy of formation of the nucleus and increase the rate of nucleation.

  7. Nano hydroxyapatite-blasted titanium surface affects pre-osteoblast morphology by modulating critical intracellular pathways.

    Science.gov (United States)

    Bezerra, Fábio; Ferreira, Marcel R; Fontes, Giselle N; da Costa Fernandes, Célio Jr; Andia, Denise C; Cruz, Nilson C; da Silva, Rodrigo A; Zambuzzi, Willian F

    2017-08-01

    Although, intracellular signaling pathways are proposed to predict the quality of cell-surface relationship, this study addressed pre-osteoblast behavior in response to nano hydroxyapatite (HA)-blasted titanium (Ti) surface by exploring critical intracellular pathways and pre-osteoblast morphological change. Physicochemical properties were evaluated by atomic force microscopy (AFM) and wettability considering water contact angle of three differently texturized Ti surfaces: Machined (Mac), Dual acid-etching (DAE), and nano hydroxyapatite-blasted (nHA). The results revealed critical differences in surface topography, impacting the water contact angle and later the osteoblast performance. In order to evaluate the effect of those topographical characteristics on biological responses, we have seeded pre-osteoblast cells on the Ti discs for up to 4 h and subjected the cultures to biological analysis. First, we have observed pre-osteoblasts morphological changes resulting from the interaction with the Ti texturized surfaces whereas the cells cultured on nHA presented a more advanced spreading process when compared with the cells cultured on the other surfaces. These results argued us for analyzing the molecular machinery and thus, we have shown that nHA promoted a lower Bax/Bcl2 ratio, suggesting an interesting anti-apoptotic effect, maybe explained by the fact that HA is a natural element present in bone composition. Thereafter, we investigated the potential effect of those surfaces on promoting pre-osteoblast adhesion and survival signaling by performing crystal violet and immunoblotting approaches, respectively. Our results showed that nHA promoted a higher pre-osteoblast adhesion supported by up-modulating FAK and Src activations, both signaling transducers involved during eukaryotic cell adhesion. Also, we have shown Ras-Erk stimulation by the all evaluated surfaces. Finally, we showed that all Ti-texturing surfaces were able to promote osteoblast differentiation

  8. Optimizing critical heat flux enhancement through nano-particle-based surface modifications

    International Nuclear Information System (INIS)

    Truong, B.; Hu, L. W.; Buongiorno, J.

    2008-01-01

    Colloidal dispersions of nano-particles, also known as nano-fluids, have shown to yield significant Critical Heat Flux (CHF) enhancement. The CHF enhancement mechanism in nano-fluids is due to the buildup of a porous layer of nano-particles upon boiling. Unlike microporous coatings that had been studied extensively, nano-particles have the advantages of forming a thin layer on the substrate with surface roughness ranges from the sub-micron to several microns. By tuning the chemical properties it is possible to coat the nano-particles in colloidal dispersions onto the desired surface, as has been demonstrated in engineering thin film industry. Building on recent work conducted at MIT, this paper illustrates the maximum CHF enhancement that can be achieved based on existing correlations. Optimization of the CHF enhancement by incorporation of key factors, such as the surface wettability and roughness, will also be discussed. (authors)

  9. The influence of the radiation pressure force on possible critical surfaces in binary systems

    International Nuclear Information System (INIS)

    Vanbeveren, D.

    1978-01-01

    Using a spherically symmetric approximation for the radiation pressure force to compute a possible critical surface for binary systems, previous authors found that the surface opens up at the far side of the companion. It is shown that this effect may be unreal, and could be a consequence of the simple approximation for the radiation pressure force, Due to the influence of the radiation force, mass will be lost over the whole surface of the star. In that way much mass could leave the system in massive binary systems. On the basis of evolutionary models, including mass loss by stellar wind, the results were applied on the X-ray binaries 3U 1700 - 37 and HD 77581. (Auth.)

  10. Climate Impacts of Ice Nucleation

    Science.gov (United States)

    Gettelman, Andrew; Liu, Xiaohong; Barahona, Donifan; Lohmann, Ulrike; Chen, Celia

    2012-01-01

    Several different ice nucleation parameterizations in two different General Circulation Models (GCMs) are used to understand the effects of ice nucleation on the mean climate state, and the Aerosol Indirect Effects (AIE) of cirrus clouds on climate. Simulations have a range of ice microphysical states that are consistent with the spread of observations, but many simulations have higher present-day ice crystal number concentrations than in-situ observations. These different states result from different parameterizations of ice cloud nucleation processes, and feature different balances of homogeneous and heterogeneous nucleation. Black carbon aerosols have a small (0.06 Wm(exp-2) and not statistically significant AIE when included as ice nuclei, for nucleation efficiencies within the range of laboratory measurements. Indirect effects of anthropogenic aerosols on cirrus clouds occur as a consequence of increasing anthropogenic sulfur emissions with different mechanisms important in different models. In one model this is due to increases in homogeneous nucleation fraction, and in the other due to increases in heterogeneous nucleation with coated dust. The magnitude of the effect is the same however. The resulting ice AIE does not seem strongly dependent on the balance between homogeneous and heterogeneous ice nucleation. Regional effects can reach several Wm2. Indirect effects are slightly larger for those states with less homogeneous nucleation and lower ice number concentration in the base state. The total ice AIE is estimated at 0.27 +/- 0.10 Wm(exp-2) (1 sigma uncertainty). This represents a 20% offset of the simulated total shortwave AIE for ice and liquid clouds of 1.6 Wm(sup-2).

  11. Binary nucleation kinetics. III. Transient behavior and time lags

    International Nuclear Information System (INIS)

    Wyslouzil, B.E.; Wilemski, G.

    1996-01-01

    Transient binary nucleation is more complex than unary because of the bidimensionality of the cluster formation kinetics. To investigate this problem qualitatively and quantitatively, we numerically solved the birth-death equations for vapor-to-liquid phase transitions. Our previous work showed that the customary saddle point and growth path approximations are almost always valid in steady state gas phase nucleation and only fail if the nucleated solution phase is significantly nonideal. Now, we demonstrate that in its early transient stages, binary nucleation rarely, if ever, occurs via the saddle point. This affects not only the number of particles forming but their composition and may be important for nucleation in glasses and other condensed mixtures for which time scales are very long. Before reaching the state of saddle point nucleation, most binary systems pass through a temporary stage in which the region of maximum flux extends over a ridge on the free energy surface. When ridge crossing nucleation is the steady state solution, it thus arises quite naturally as an arrested intermediate state that normally occurs in the development of saddle point nucleation. While the time dependent and steady state distributions of the fluxes and concentrations for each binary system are strongly influenced by the gas composition and species impingement rates, the ratio of nonequilibrium to equilibrium concentrations has a quasiuniversal behavior that is determined primarily by the thermodynamic properties of the liquid mixture. To test our quantitive results of the transient behavior, we directly calculated the time lag for the saddle point flux and compared it with the available analytical predictions. Although the analytical results overestimate the time lag by factors of 1.2-5, they should be adequate for purposes of planning experiments. We also found that the behavior of the saddle point time lag can indicate when steady state ridge crossing nucleation will occur

  12. Metadynamics studies of crystal nucleation

    Science.gov (United States)

    Giberti, Federico; Salvalaglio, Matteo; Parrinello, Michele

    2015-01-01

    Crystallization processes are characterized by activated events and long timescales. These characteristics prevent standard molecular dynamics techniques from being efficiently used for the direct investigation of processes such as nucleation. This short review provides an overview on the use of metadynamics, a state-of-the-art enhanced sampling technique, for the simulation of phase transitions involving the production of a crystalline solid. In particular the principles of metadynamics are outlined, several order parameters are described that have been or could be used in conjunction with metadynamics to sample nucleation events and then an overview is given of recent metadynamics results in the field of crystal nucleation. PMID:25866662

  13. Metadynamics studies of crystal nucleation

    Directory of Open Access Journals (Sweden)

    Federico Giberti

    2015-03-01

    Full Text Available Crystallization processes are characterized by activated events and long timescales. These characteristics prevent standard molecular dynamics techniques from being efficiently used for the direct investigation of processes such as nucleation. This short review provides an overview on the use of metadynamics, a state-of-the-art enhanced sampling technique, for the simulation of phase transitions involving the production of a crystalline solid. In particular the principles of metadynamics are outlined, several order parameters are described that have been or could be used in conjunction with metadynamics to sample nucleation events and then an overview is given of recent metadynamics results in the field of crystal nucleation.

  14. The role of ammonia in sulfuric acid ion induced nucleation

    Directory of Open Access Journals (Sweden)

    I. K. Ortega

    2008-06-01

    Full Text Available We have developed a new multi-step strategy for quantum chemical calculations on atmospherically relevant cluster structures that makes calculation for large clusters affordable with a good accuracy-to-computational effort ratio. We have applied this strategy to evaluate the relevance of ternary ion induced nucleation; we have also performed calculations for neutral ternary nucleation for comparison. The results for neutral ternary nucleation agree with previous results, and confirm the important role of ammonia in enhancing the growth of sulfuric acid clusters. On the other hand, we have found that ammonia does not enhance the growth of ionic sulfuric acid clusters. The results also confirm that ion-induced nucleation is a barrierless process at high altitudes, but at ground level there exists a barrier due to the presence of a local minimum on the free energy surface.

  15. Nucleation of Recrystallization studied by EBSP and 3DXRD

    DEFF Research Database (Denmark)

    West, Stine

    2009-01-01

    When a deformed crystalline material is annealed, recrystallization will typically take place. In this process new perfect crystals nucleate and grow, consuming the deformation structure. Traditionally, nucleation theories state that the crystal orientations of these new grains were already present...... in the deformed state, but several experiments have shown the emergence of what appears to be new orientations. The purpose of the present project was to observe nucleation of recrystallization both on surfaces and in the bulk. Special focus was on the possible formation of nuclei with orientations not present...... in the deformed matrix before annealing. To facilitate the nucleation studies, a well-annealed starting material was prepared from high-purity aluminum with a large average grain size and almost straight grain boundaries mostly forming triple junctions with angles close to 120°. The large grain size was necessary...

  16. A marine biogenic source of atmospheric ice-nucleating particles

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, T. W.; Ladino, L. A.; Alpert, Peter A.; Breckels, M. N.; Brooks, I. M.; Browse, J.; Burrows, Susannah M.; Carslaw, K. S.; Huffman, J. A.; Judd, C.; Kilthau, W. P.; Mason, R. H.; McFiggans, Gordon; Miller, L. A.; Najera, J.; Polishchuk, E. A.; Rae, S.; Schiller, C. L.; Si, M.; Vergara Temprado, J.; Whale, Thomas; Wong, J P S; Wurl, O.; Yakobi-Hancock, J. D.; Abbatt, JPD; Aller, Josephine Y.; Bertram, Allan K.; Knopf, Daniel A.; Murray, Benjamin J.

    2015-09-09

    The formation of ice in clouds is facilitated by the presence of airborne ice nucleating particles1,2. Sea spray is one of the major global sources of atmospheric particles, but it is unclear to what extent these particles are capable of nucleating ice3–11. Here we show that material in the sea surface microlayer, which is enriched in surface active organic material representative of that found in sub-micron sea- spray aerosol12–21, nucleates ice under conditions that occur in mixed-phase clouds and high-altitude ice clouds. The ice active material is likely biogenic and is less than ~0.2 ?m in size. We also show that organic material (exudate) released by a common marine diatom nucleates ice when separated from cells and propose that organic material associated with phytoplankton cell exudates are a candidate for the observed ice nucleating ability of the microlayer samples. By combining our measurements with global model simulations of marine organic aerosol, we show that ice nucleating particles of marine origin are dominant in remote marine environments, such as the Southern Ocean, the North Pacific and the North Atlantic.

  17. Vapor nucleation paths in lyophobic nanopores.

    Science.gov (United States)

    Tinti, Antonio; Giacomello, Alberto; Casciola, Carlo Massimo

    2018-04-19

    In recent years, technologies revolving around the use of lyophobic nanopores gained considerable attention in both fundamental and applied research. Owing to the enormous internal surface area, heterogeneous lyophobic systems (HLS), constituted by a nanoporous lyophobic material and a non-wetting liquid, are promising candidates for the efficient storage or dissipation of mechanical energy. These diverse applications both rely on the forced intrusion and extrusion of the non-wetting liquid inside the pores; the behavior of HLS for storage or dissipation depends on the hysteresis between these two processes, which, in turn, are determined by the microscopic details of the system. It is easy to understand that molecular simulations provide an unmatched tool for understanding phenomena at these scales. In this contribution we use advanced atomistic simulation techniques in order to study the nucleation of vapor bubbles inside lyophobic mesopores. The use of the string method in collective variables allows us to overcome the computational challenges associated with the activated nature of the phenomenon, rendering a detailed picture of nucleation in confinement. In particular, this rare event method efficiently searches for the most probable nucleation path(s) in otherwise intractable, high-dimensional free-energy landscapes. Results reveal the existence of several independent nucleation paths associated with different free-energy barriers. In particular, there is a family of asymmetric transition paths, in which a bubble forms at one of the walls; the other family involves the formation of axisymmetric bubbles with an annulus shape. The computed free-energy profiles reveal that the asymmetric path is significantly more probable than the symmetric one, while the exact position where the asymmetric bubble forms is less relevant for the free energetics of the process. A comparison of the atomistic results with continuum models is also presented, showing how, for simple

  18. Two-Dimensional Nucleation on the Terrace of Colloidal Crystals with Added Polymers.

    Science.gov (United States)

    Nozawa, Jun; Uda, Satoshi; Guo, Suxia; Hu, Sumeng; Toyotama, Akiko; Yamanaka, Junpei; Okada, Junpei; Koizumi, Haruhiko

    2017-04-04

    Understanding nucleation dynamics is important both fundamentally and technologically in materials science and other scientific fields. Two-dimensional (2D) nucleation is the predominant growth mechanism in colloidal crystallization, in which the particle interaction is attractive, and has recently been regarded as a promising method to fabricate varieties of complex nanostructures possessing innovative functionality. Here, polymers are added to a colloidal suspension to generate a depletion attractive force, and the detailed 2D nucleation process on the terrace of the colloidal crystals is investigated. In the system, we first measured the nucleation rate at various area fractions of particles on the terrace, ϕ area . In situ observations at single-particle resolution revealed that nucleation behavior follows the framework of classical nucleation theory (CNT), such as single-step nucleation pathway and existence of critical size. Characteristic nucleation behavior is observed in that the nucleation and growth stage are clearly differentiated. When many nuclei form in a small area of the terrace, a high density of kink sites of once formed islands makes growth more likely to occur than further nucleation because nucleation has a higher energy barrier than growth. The steady-state homogeneous 2D nucleation rate, J, and the critical size of nuclei, r*, are measured by in situ observations based on the CNT, which enable us to obtain the step free energy, γ, which is an important parameter for characterizing the nucleation process. The γ value is found to change according to the strength of attraction, which is tuned by the concentration of the polymer as a depletant.

  19. Computer simulation of chemical nucleation

    International Nuclear Information System (INIS)

    Turner, J.S.

    1979-01-01

    The problem of nucleation at chemical instabilities is investigated by means of microscopic computer simulation. The first-order transition of interest involves a new kind of nucleation arising from chemical transformations rather than physical forces. Here it is the chemical state of matter, and not matter itself, which is spatially localized to form the nucleus for transition between different chemical states. First, the concepts of chemical instability, nonequilibrium phase transition, and dissipative structure are reviewed briefly. Then recently developed methods of reactive molecular dynamics are used to study chemical nucleation in a simple model chemical reactions. Finally, the connection of these studies to nucleation and condensation processes involving physical and chemical interactions is explored. (orig.)

  20. The Nucleation of Protein Aggregates - From Crystals to Amyloid Fibrils.

    Science.gov (United States)

    Buell, Alexander K

    2017-01-01

    The condensation and aggregation of individual protein molecules into dense insoluble phases is of relevance in such diverse fields as materials science, medicine, structural biology and pharmacology. A common feature of these condensation phenomena is that they usually are nucleated processes, i.e. the first piece of the condensed phase is energetically costly to create and hence forms slowly compared to its subsequent growth. Here we give a compact overview of the differences and similarities of various protein nucleation phenomena, their theoretical description in the framework of colloid and polymer science and their experimental study. Particular emphasis is put on the nucleation of a specific type of filamentous protein aggregates, amyloid fibrils. The current experimentally derived knowledge on amyloid fibril nucleation is critically assessed, and we argue that it is less advanced than is generally believed. This is due to (I) the lack of emphasis that has been put on the distinction between homogeneous and heterogeneous nucleation in experimental studies (II) the use of oversimplifying and/or inappropriate theoretical frameworks for the analysis of kinetic data of amyloid fibril nucleation. A strategy is outlined and advocated of how our understanding of this important class of processes can be improved in the future. © 2017 Elsevier Inc. All rights reserved.

  1. Physical characterization of diesel exhaust nucleation mode particles

    Energy Technology Data Exchange (ETDEWEB)

    Lahde, T.

    2013-11-01

    An increasing concern of the adverse health effects of aerosol particles is forcing the combustion engine industry to develop engines with lower particle emissions. The industry has put most of their efforts into soot control and has achieved a significant reduction in diesel exhaust particle mass. Nevertheless, it is not clear that the large particles, dominating the mass, cause the harmfulness of the exhaust particles in the biological interaction. Nowadays, the harmful potential of diesel exhaust particles often connects with the particle surface area, and the view has turned to particle number below 100 nm size range. Unfortunately, the achieved low exhaust particle mass does not necessarily imply a low particle number. This text focuses on the physical characteristics of diesel exhaust nucleation model particles. The volatility characteristics and the electrical charge state of the particles are studied first. Second, the relation between the nonvolatile nucleation mode emissions and the soot, the nitrogen oxide (NO{sub x}) emissions and the engine parameters are covered. The nucleation mode particles had distinctively different physical characteristics with different after-treatment systems. The nucleation mode was volatile and electrically neutral with a diesel particle filter after-treatment system. Without an after-treatment system or with an after-treatment system with low particle removal efficiency, the nucleation mode was partly nonvolatile and included an electrical charge. The difference suggests different formation routes for the nucleation particles with different after-treatment systems. The existence of the nonvolatile nucleation mode particles also affected the soot mode charge state. The soot charge state was positively biased when the nonvolatile nucleation mode was detected but slightly negatively biased when the nonvolatile nucleation mode was absent. The nonvolatile nucleation mode was always negatively biased. This electrical charge

  2. Correlation between the critical heat flux and the fractal surface roughness of zirconium alloy tubes

    International Nuclear Information System (INIS)

    Fong, R.W.L.; McRae, G.A.; Coleman, C.E.; Nitheanandan, T.; Sanderson, D.B.

    1999-10-01

    In CANDU fuel channels, Zircaloy calandria tubes isolate the hot pressure tubes from the cool heavy water moderator. The heavy-water moderator provides a backup heat sink during some postulated loss-of-coolant accidents. The decay heat from the fuel is transferred to the moderator to ensure fuel channel integrity during emergencies. Moderator temperature requirements are specified to ensure that the transfer of decay heat does not exceed the critical heat flux (CHF) on the outside surface of the calandria tube. An enhanced CHF provides increases in safety margin. Pool boiling experiments indicate the CHF is enhanced with glass-peening of the outside surface of the calandria tubes. The objective of this study was to evaluate the surface characteristics of glass-peened tubes and relate these characteristics to CHF. The micro-topologies of the tube surfaces were analysed using stereo-pair micrographs obtained from scanning electron microscopy (SEM) and photogrammetry techniques. A linear relationship correlated the CHF as a function of the 'fractal' surface roughness of the tubes. (author)

  3. Making the most of CZ seismics: Improving shallow critical zone characterization using surface-wave analysis

    Science.gov (United States)

    Pasquet, S.; Wang, W.; Holbrook, W. S.; Bodet, L.; Carr, B.; Flinchum, B. A.

    2017-12-01

    Estimating porosity and saturation in the shallow subsurface over large lateral scales is vitally important for understanding the development and evolution of the Critical Zone (CZ). Because elastic properties (P- and S-wave velocities) are particularly sensitive to porosity and saturation, seismic methods (in combination with petrophysical models) are effective tools for mapping CZ architecture and processes. While many studies employ P-wave refraction methods, fewer use the surface waves that are typically also recorded in those same surveys. Here we show the value of exploiting surface waves to extract supplementary shear-wave velocity (Vs) information in the CZ. We use a new, user-friendly, open-source MATLAB-based package (SWIP) to invert surface-wave data and estimate lateral variations of Vs in the CZ. Results from synthetics show that this approach enables the resolution of physical property variations in the upper 10-15 m below the surface with lateral scales of about 5 m - a vast improvement compared to P-wave tomography alone. A field example at a Yellowstone hydrothermal system also demonstrates the benefits of including Vs in the petrophysical models to estimate not only porosity but also saturation, thus highlighting subsurface gas pathways. In light of these results, we strongly suggest that surface-wave analysis should become a standard approach in CZ seismic surveys.

  4. Pool boiling characteristics and critical heat flux mechanisms of microporous surfaces and enhancement through structural modification

    Science.gov (United States)

    Ha, Minseok; Graham, Samuel

    2017-08-01

    Experimental studies have shown that microporous surfaces induce one of the highest enhancements in critical heat flux (CHF) during pool boiling. However, microporous surfaces may also induce a very large surface superheat (>100 °C) which is not desirable for applications such as microelectronics cooling. While the understanding of the CHF mechanism is the key to enhancing boiling heat transfer, a comprehensive understanding is not yet available. So far, three different theories for the CHF of microporous surfaces have been suggested: viscous-capillary model, hydrodynamic instability model, and dryout of the porous coatings. In general, all three theories account for some aspects of boiling phenomena. In this study, the theories are examined through their correlations with experimental data on microporous surfaces during pool boiling using deionized (DI) water. It was found that the modulation of the vapor-jet through the pore network enables a higher CHF than that of a flat surface based on the hydrodynamic instability theory. In addition, it was found that as the heat flux increases, a vapor layer grows in the porous coatings described by a simple thermal resistance model which is responsible for the large surface superheat. Once the vapor layer grows to fill the microporous structure, transition to film boiling occurs and CHF is reached. By disrupting the formation of this vapor layer through the fabrication of channels to allow vapor escape, an enhancement in the CHF and heat transfer coefficient was observed, allowing CHF greater than 3500 kW/m2 at a superheat less than 50 °C.

  5. An efficient search method for finding the critical slip surface using the compositional Monte Carlo technique

    International Nuclear Information System (INIS)

    Goshtasbi, K.; Ahmadi, M; Naeimi, Y.

    2008-01-01

    Locating the critical slip surface and the associated minimum factor of safety are two complementary parts in a slope stability analysis. A large number of computer programs exist to solve slope stability problems. Most of these programs, however, have used inefficient and unreliable search procedures to locate the global minimum factor of safety. This paper presents an efficient and reliable method to determine the global minimum factor of safety coupled with a modified version of the Monte Carlo technique. Examples arc presented to illustrate the reliability of the proposed method

  6. Gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    The overall aim of the project was to gain more knowledge about the kinetics of gas hydrate formation especially the early growth phase. Knowledge of kinetics of gas hydrate formation is important and measurements of gas hydrate particle size and concentration can contribute to improve this knowledge. An experimental setup for carrying out experimental studies of the nucleation and growth of gas hydrates has been constructed and tested. Multi wavelength extinction (MWE) was the experimental technique selected for obtaining particle diameter and concentration. The principle behind MWE is described as well as turbidity spectrum analysis that in an initial stage of the project was considered as an alternative experimental technique. Details of the experimental setup and its operation are outlined. The measuring cell consists of a 1 litre horizontal tube sustaining pressures up to 200 bar. Laser light for particle size determination can be applied through sapphire windows. A description of the various auxiliary equipment and of another gas hydrate cell used in the study are given. A computer program for simulation and analysis of gas hydrate experiments is based on the gas hydrate kinetics model proposed by Skovborg and Rasmussen (1993). Initial measurements showed that knowledge of the refractive index of gas hydrates was important in order to use MWE. An experimental determination of the refractive index of methane and natural gas hydrate is described. The test experiments performed with MWE on collectives of gas hydrate particles and experiments with ethane, methane and natural gas hydrate are discussed. Gas hydrate particles initially seem to grow mainly in size and at latter stages in number. (EG) EFP-94; 41 refs.

  7. Gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-31

    The overall aim of the project was to gain more knowledge about the kinetics of gas hydrate formation especially the early growth phase. Knowledge of kinetics of gas hydrate formation is important and measurements of gas hydrate particle size and concentration can contribute to improve this knowledge. An experimental setup for carrying out experimental studies of the nucleation and growth of gas hydrates has been constructed and tested. Multi wavelength extinction (MWE) was the experimental technique selected for obtaining particle diameter and concentration. The principle behind MWE is described as well as turbidity spectrum analysis that in an initial stage of the project was considered as an alternative experimental technique. Details of the experimental setup and its operation are outlined. The measuring cell consists of a 1 litre horizontal tube sustaining pressures up to 200 bar. Laser light for particle size determination can be applied through sapphire windows. A description of the various auxiliary equipment and of another gas hydrate cell used in the study are given. A computer program for simulation and analysis of gas hydrate experiments is based on the gas hydrate kinetics model proposed by Skovborg and Rasmussen (1993). Initial measurements showed that knowledge of the refractive index of gas hydrates was important in order to use MWE. An experimental determination of the refractive index of methane and natural gas hydrate is described. The test experiments performed with MWE on collectives of gas hydrate particles and experiments with ethane, methane and natural gas hydrate are discussed. Gas hydrate particles initially seem to grow mainly in size and at latter stages in number. (EG) EFP-94; 41 refs.

  8. Diffusion of two-dimensional epitaxial clusters on metal (100) surfaces: Facile versus nucleation-mediated behavior and their merging for larger sizes

    Science.gov (United States)

    Lai, King C.; Liu, Da-Jiang; Evans, James W.

    2017-12-01

    For diffusion of two-dimensional homoepitaxial clusters of N atoms on metal (100) surfaces mediated by edge atom hopping, macroscale continuum theory suggests that the diffusion coefficient scales like DN˜ N-β with β =3 /2 . However, we find quite different and diverse behavior in multiple size regimes. These include: (i) facile diffusion for small sizes N mediated diffusion with small β 2 for N =Np+1 and Np+2 also for moderate sizes 9 ≤N ≤O (102) ; (iv) merging of the above distinct branches and subsequent anomalous scaling with 1 ≲β analysis must account for a strong enhancement of diffusivity for short time increments due to back correlation in the cluster motion. Further understanding of this enhancement, of anomalous size scaling behavior, and of the merging of various branches, is facilitated by combinatorial analysis of the number of the ground-state and low-lying excited state cluster configurations, and also of kink populations.

  9. Nature of Y1Ba2Cu3O7 nucleation centers on ceria buffers

    International Nuclear Information System (INIS)

    Solovyov, Vyacheslav F; Li Qiang; Qing Jie; Zhou Juan; Develos-Bagarinao, Katherine

    2010-01-01

    The purpose of this study is to enhance properties of the second-generation wires by increasing the density of Y 1 Ba 2 Cu 3 O 7 (YBCO) nucleation centers on the surface of the ceria buffer. To identify the nature of the nucleation centers, we compare nucleation kinetics and performance of YBCO layers deposited by the metal-organic process on a standard RABiTS tape to YBCO on ceria buffers with well-controlled structure and surface morphology. The structure of the YBCO layer at the early stage of nucleation and growth is determined by high-flux synchrotron x-ray diffraction. It is shown that the best buffers exhibit high YBCO nucleation rates and produce YBCO nuclei with the least cation disorder. The high YBCO nucleation rate is associated with a high density of threading dislocation outcrops. A strategy for buffer optimization is identified.

  10. In-situ Monitoring of Sub-cooled Nucleate Boiling on Fuel Cladding Surface in Water at 1 bar and 130 bars using Acoustic Emission Method

    Energy Technology Data Exchange (ETDEWEB)

    Baek, Seung Heon; Wu, Kaige; Shim, Hee-Sang; Lee, Deok Hyun; Hur, Do Haeng [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    Crud deposition increases through a sufficient corrosion product supply around the steam-liquid interface of a boiling bubble. Therefore, the understanding of this SNB phenomenon is important for effective and safe operation of nuclear plants. The experimental SNB studies have been performed in visible conditions at a low pressure using a high speed video camera. Meanwhile, an acoustic emission (AE) method is an on-line non-destructive evaluation method to sense transient elastic wave resulting from a rapid release of energy within a dynamic process. Some researchers have investigated boiling phenomena using the AE method. However, their works were performed at atmospheric pressure conditions. Therefore, the objective of this work is for the first time to detect and monitor SNB on fuel cladding surface in simulated PWR primary water at 325 .deg. C and 130 bars using an AE technique. We successfully observed the boiling AE signals in primary water at 1 bar and 130 bars using AE technique. Visualization test was performed effectively to identify a correlation between water boiling phenomenon and AE signals in a transparent glass cell at 1 bar, and the boiling AE signals were in good agreement with the boiling behavior. Based on the obtained correlations at 1 bar, the AE signals obtained at 130 bars were analyzed. The boiling density and size of the AE signals at 130 bars were decreased by the flow parameters. However, overall AE signals showed characteristics and a trend similar to the AE signals at 1 bar. This indicates that boiling AE signals are detected successfully at 130 bars, and the AE technique can be effectively implemented in non-visualized condition at high pressures.

  11. Nucleation of wetting films on cylindrical and spherical substrates: A numerical study by the string method

    KAUST Repository

    Qiu, Chunyin

    2009-09-25

    Using the mean-field diffuse-interface model for liquid-vapor system and employing the numerical string method, we study the critical nuclei involved in the prewetting transitions on curved substrates. We first introduce three distinct kinds of critical nuclei, namely, the disklike, bandlike, and layerlike ones, which respectively correspond to three possible growth modes of wettingfilms. We show the disklike growth mode to be the only mode for infinite planar substrates. We then turn to cylindrical and spherical substrates, the two simplest but most important geometries in the real world. We focus on the critical nuclei of finite size, through which the wettingfilms may be formed with finite thermodynamic probabilities. It is shown that the disklike growth mode is always the most probable for wettingfilmnucleation and growth as long as a disklike critical nucleus exists. It is also shown that on a cylindrical substrate, the disklike critical nucleus can no longer exist if the substrate radius is smaller than some critical value, comparable to the radius of the disklike critical nucleus on planar substrate. We find that on a cylindrical substrate whose radius is below the critical value, the nucleation and growth of a wettingfilm can only occur through the bandlike critical nucleus. It is worth emphasizing that the results concerning the bandlike and layerlike growth modes can only be obtained from the diffuse-interface model, beyond the macroscopic description based on the line and surface tensions.

  12. Nucleation of wetting films on cylindrical and spherical substrates: A numerical study by the string method

    KAUST Repository

    Qiu, Chunyin; Qian, Tiezheng

    2009-01-01

    Using the mean-field diffuse-interface model for liquid-vapor system and employing the numerical string method, we study the critical nuclei involved in the prewetting transitions on curved substrates. We first introduce three distinct kinds of critical nuclei, namely, the disklike, bandlike, and layerlike ones, which respectively correspond to three possible growth modes of wettingfilms. We show the disklike growth mode to be the only mode for infinite planar substrates. We then turn to cylindrical and spherical substrates, the two simplest but most important geometries in the real world. We focus on the critical nuclei of finite size, through which the wettingfilms may be formed with finite thermodynamic probabilities. It is shown that the disklike growth mode is always the most probable for wettingfilmnucleation and growth as long as a disklike critical nucleus exists. It is also shown that on a cylindrical substrate, the disklike critical nucleus can no longer exist if the substrate radius is smaller than some critical value, comparable to the radius of the disklike critical nucleus on planar substrate. We find that on a cylindrical substrate whose radius is below the critical value, the nucleation and growth of a wettingfilm can only occur through the bandlike critical nucleus. It is worth emphasizing that the results concerning the bandlike and layerlike growth modes can only be obtained from the diffuse-interface model, beyond the macroscopic description based on the line and surface tensions.

  13. Approximate critical surface of the bond-mixed square-lattice Ising model

    International Nuclear Information System (INIS)

    Levy, S.V.F.; Tsallis, C.; Curado, E.M.F.

    1979-09-01

    The critical surface of the quenched bond-mixed square-lattice spin-1/2 first-neighbour-interaction ferromagnetic Ising model (with exchange interactions J 1 and J 2 ) has been investigated. Through renormalization group and heuristical procedures, a very accurate (error inferior to 3x10 -4 in the variables t sub(i) = th (J sub(i)/k sub(b)T)) approximate numerical proposal for all points of this surface is presented. This proposal simultaneously satisfies all the available exact results concerning the surface, namely P sub(c) = 1/2, t sub(c) = √2 - 1, both limiting slopes in these points, and t 2 = (1-t 1 )/(1+t 1 ) for p = 1/2. Furthemore an analytic approximation (namely (1 - p) 1n(1 + t 1 ) + p 1n(1 + t 2 ) =(1/2)1n 2) is also proposed. In what concerns the available exact results, it only fails in reproducing one of the two limiting slopes, where there is an error of 1% in the derivative: these facts result in an estimated error less than 10 -3 (in the t-variables) for any points in the surface. (Author) [pt

  14. External Thermal Insulation Composite Systems: Critical Parameters for Surface Hygrothermal Behaviour

    Directory of Open Access Journals (Sweden)

    Eva Barreira

    2014-01-01

    Full Text Available External Thermal Insulation Composite Systems (ETICS are often used in Europe. Despite its thermal advantages, low cost, and ease of application, this system has serious problems of biological growth causing the cladding defacement. Recent studies pointed that biological growth is due to high values of surface moisture content, which mostly results from the combined effect of exterior surface condensation, wind-driven rain, and drying process. Based on numerical simulation, this paper points the most critical parameters involved in hygrothermal behaviour of ETICS, considering the influence of thermal and hygric properties of the external rendering, the effect of the characteristics of the façade, and the consequences of the exterior and interior climate on exterior surface condensation, wind-driven rain, and drying process. The model used was previously validated by comparison with the results of an “in situ” campaign. The results of the sensitivity analyses show that relative humidity and temperature of the exterior air, atmospheric radiation, and emissivity of the exterior rendering are the parameters that most influence exterior surface condensation. Wind-driven rain depends mostly on horizontal rain, building’s height, wind velocity, and orientation. The drying capacity is influenced by short-wave absorbance, incident solar radiation, and orientation.

  15. An analysis of critical heat flux on the external surface of the reactor vessel lower head

    International Nuclear Information System (INIS)

    Yang, Soo Hyung; Baek, Won Pil; Chang, Soon Heung

    1999-01-01

    CHF (Critical heat flux) on the external surface of the reactor vessel lower head is major key in the evaluation on the feasibility of IVR-EVC (In-Vessel Retention through External Vessel Cooling) concept. To identify the CHF on the external surface, considerable works have been performed. Through the review on the previous works related to the CHF on the external surface, liquid subcooling, induced flow along the external surface, ICI (In-Core Instrument) nozzle and minimum gap are identified as major parameters. According to the present analysis, the effects of the ICI nozzle and minimum gap on CHF are pronounced at the upstream of test vessel: on the other hand, the induced flow considerably affects the CHF at downstream of test vessel. In addition, the subcooling effect is shown at all of test vessel, and decreases with the increase in the elevation of test vessel. In the real application of the IVR-EVC concept, vertical position is known as a limiting position, at which thermal margin is the minimum. So, it is very important to precisely predict the CHF at vertical position in a viewpoint of gaining more thermal margins. However, the effects of the liquid subcooling and induced flow do not seem to be adequately included in the CHF correlations suggested by previous works, especially at the downstream positions

  16. Water pollution abatement programme. The Czech Republic. Project 4.2. Assessing critical loads of acidity to surface waters in the Czech Republic. Critical loads of acidity to surface waters, north-eastern Bohemia and northern Moravia, The Czech Republic

    Energy Technology Data Exchange (ETDEWEB)

    Lien, L.; Raclavsky, K.; Raclavska, H.; Matysek, D.; Hovind, H.

    1996-01-01

    This report discusses estimates of critical loads of acidity to surface waters and their exceedances, for north-eastern Bohemia and Moravia in The Czech Republic. The survey covers 13 400 km{sup 2}, or 17% of the area of the country. Varying critical loads were observed within the examined region. 19% of the examined area showed exceedance of critical load and another 11% was close to exceedance. The survey should continue in Bohemia. 24 refs., 20 figs., 4 tabs.

  17. Monomer-dependent secondary nucleation in amyloid formation.

    Science.gov (United States)

    Linse, Sara

    2017-08-01

    Secondary nucleation of monomers on the surface of an already existing aggregate that is formed from the same kind of monomers may lead to autocatalytic amplification of a self-assembly process. Such monomer-dependent secondary nucleation occurs during the crystallization of small molecules or proteins and self-assembled materials, as well as in protein self-assembly into fibrous structures. Indications of secondary nucleation may come from analyses of kinetic experiments starting from pure monomers or monomers supplemented with a low concentration of pre-formed aggregates (seeds). More firm evidence requires additional experiments, for example those employing isotope labels to distinguish new aggregates arising from the monomer from those resulting from fragmentation of the seed. In cases of amyloid formation, secondary nucleation leads to the formation of toxic oligomers, and inhibitors of secondary nucleation may serve as starting points for therapeutic developments. Secondary nucleation displays a high degree of structural specificity and may be enhanced by mutations or screening of electrostatic repulsion.

  18. Surface water acidification and critical loads: exploring the F-factor

    Directory of Open Access Journals (Sweden)

    K. Bishop

    2009-11-01

    Full Text Available As acid deposition decreases, uncertainties in methods for calculating critical loads become more important when judgements have to be made about whether or not further emission reductions are needed. An important aspect of one type of model that has been used to calculate surface water critical loads is the empirical F-factor which estimates the degree to which acid deposition is neutralised before it reaches a lake at any particular point in time relative to the pre-industrial, steady-state water chemistry conditions.

    In this paper we will examine how well the empirical F-functions are able to estimate pre-industrial lake chemistry as lake chemistry changes during different phases of acidification and recovery. To accomplish this, we use the dynamic, process-oriented biogeochemical model SAFE to generate a plausible time series of annual runoff chemistry for ca. 140 Swedish catchments between 1800 and 2100. These annual hydrochemistry data are then used to generate empirical F-factors that are compared to the "actual" F-factor seen in the SAFE data for each lake and year in the time series. The dynamics of the F-factor as catchments acidify, and then recover are not widely recognised.

    Our results suggest that the F-factor approach worked best during the acidification phase when soil processes buffer incoming acidity. However, the empirical functions for estimating F from contemporary lake chemistry are not well suited to the recovery phase when the F-factor turns negative due to recovery processes in the soil. This happens when acid deposition has depleted the soil store of BC, and then acid deposition declines, reducing the leaching of base cations to levels below those in the pre-industrial era. An estimate of critical load from water chemistry during recovery and empirical F functions would therefore result in critical loads that are too low. Therefore, the empirical estimates of the F-factor are a significant source of

  19. The XMAP215 Ortholog Alp14 Promotes Microtubule Nucleation in Fission Yeast.

    Science.gov (United States)

    Flor-Parra, Ignacio; Iglesias-Romero, Ana Belén; Chang, Fred

    2018-06-04

    The organization and number of microtubules (MTs) in a cell depend on the proper regulation of MT nucleation. Currently, the mechanism of nucleation is the most poorly understood aspect of MT dynamics. XMAP215/chTOG/Alp14/Stu2 proteins are MT polymerases that stimulate MT polymerization at MT plus ends by binding and releasing tubulin dimers. Although these proteins also localize to MT organizing centers and have nucleating activity in vitro, it is not yet clear whether these proteins participate in MT nucleation in vivo. Here, we demonstrate that in the fission yeast Schizosaccharomyces pombe, the XMAP215 ortholog Alp14 is critical for efficient MT nucleation in vivo. In multiple assays, loss of Alp14 function led to reduced nucleation rate and numbers of interphase MT bundles. Conversely, activation of Alp14 led to increased nucleation frequency. Alp14 associated with Mto1 and γ-tubulin complex components, and artificially targeting Alp14 to the γ-tubulin ring complexes (γ-TuRCs) stimulated nucleation. In imaging individual nucleation events, we found that Alp14 transiently associated with a γ-tubulin particle shortly before the appearance of a new MT. The transforming acidic coiled-coil (TACC) ortholog Alp7 mediated the localization of Alp14 at nucleation sites but not plus ends, and was required for efficient nucleation but not for MT polymerization. Our findings provide the strongest evidence to date that Alp14 serves as a critical MT nucleation factor in vivo. We suggest a model in which Alp14 associates with the γ-tubulin complex in an Alp7-dependent manner to facilitate the assembly or stabilization of the nascent MT. Copyright © 2018 Elsevier Ltd. All rights reserved.

  20. High variability of the heterogeneous ice nucleation potential of oxalic acid dihydrate and sodium oxalate

    Directory of Open Access Journals (Sweden)

    R. Wagner

    2010-08-01

    Full Text Available The heterogeneous ice nucleation potential of airborne oxalic acid dihydrate and sodium oxalate particles in the deposition and condensation mode has been investigated by controlled expansion cooling cycles in the AIDA aerosol and cloud chamber of the Karlsruhe Institute of Technology at temperatures between 244 and 228 K. Previous laboratory studies have highlighted the particular role of oxalic acid dihydrate as the only species amongst a variety of other investigated dicarboxylic acids to be capable of acting as a heterogeneous ice nucleus in both the deposition and immersion mode. We could confirm a high deposition mode ice activity for 0.03 to 0.8 μm sized oxalic acid dihydrate particles that were either formed by nucleation from a gaseous oxalic acid/air mixture or by rapid crystallisation of highly supersaturated aqueous oxalic acid solution droplets. The critical saturation ratio with respect to ice required for deposition nucleation was found to be less than 1.1 and the size-dependent ice-active fraction of the aerosol population was in the range from 0.1 to 22%. In contrast, oxalic acid dihydrate particles that had crystallised from less supersaturated solution droplets and had been allowed to slowly grow in a supersaturated environment from still unfrozen oxalic acid solution droplets over a time period of several hours were found to be much poorer heterogeneous ice nuclei. We speculate that under these conditions a crystal surface structure with less-active sites for the initiation of ice nucleation was generated. Such particles partially proved to be almost ice-inactive in both the deposition and condensation mode. At times, the heterogeneous ice nucleation ability of oxalic acid dihydrate significantly changed when the particles had been processed in preceding cloud droplet activation steps. Such behaviour was also observed for the second investigated species, namely sodium oxalate. Our experiments address the atmospheric scenario

  1. High variability of the heterogeneous ice nucleation potential of oxalic acid dihydrate and sodium oxalate

    Science.gov (United States)

    Wagner, R.; Möhler, O.; Saathoff, H.; Schnaiter, M.; Leisner, T.

    2010-08-01

    The heterogeneous ice nucleation potential of airborne oxalic acid dihydrate and sodium oxalate particles in the deposition and condensation mode has been investigated by controlled expansion cooling cycles in the AIDA aerosol and cloud chamber of the Karlsruhe Institute of Technology at temperatures between 244 and 228 K. Previous laboratory studies have highlighted the particular role of oxalic acid dihydrate as the only species amongst a variety of other investigated dicarboxylic acids to be capable of acting as a heterogeneous ice nucleus in both the deposition and immersion mode. We could confirm a high deposition mode ice activity for 0.03 to 0.8 μm sized oxalic acid dihydrate particles that were either formed by nucleation from a gaseous oxalic acid/air mixture or by rapid crystallisation of highly supersaturated aqueous oxalic acid solution droplets. The critical saturation ratio with respect to ice required for deposition nucleation was found to be less than 1.1 and the size-dependent ice-active fraction of the aerosol population was in the range from 0.1 to 22%. In contrast, oxalic acid dihydrate particles that had crystallised from less supersaturated solution droplets and had been allowed to slowly grow in a supersaturated environment from still unfrozen oxalic acid solution droplets over a time period of several hours were found to be much poorer heterogeneous ice nuclei. We speculate that under these conditions a crystal surface structure with less-active sites for the initiation of ice nucleation was generated. Such particles partially proved to be almost ice-inactive in both the deposition and condensation mode. At times, the heterogeneous ice nucleation ability of oxalic acid dihydrate significantly changed when the particles had been processed in preceding cloud droplet activation steps. Such behaviour was also observed for the second investigated species, namely sodium oxalate. Our experiments address the atmospheric scenario that coating layers

  2. Molecular dynamics simulations of nucleation and phase transitions in molecular clusters of hexafluorides

    International Nuclear Information System (INIS)

    Xu, S.

    1993-01-01

    Molecular dynamics simulations of nucleation and phase transitions in TeF 6 and SeF 6 clusters containing 100-350 molecules were carried out. Simulations successfully reproduced the crystalline structures observed in electron diffraction studies of large clusters (containing about 10 4 molecules) of the same materials. When the clusters were cooled, they spontaneously underwent the same bcc the monoclinic phase transition in simulations as in experiment, despite the million-fold difference in the time scales involved. Other transitions observed included melting and freezing. Several new techniques based on molecular translation and orientation were introduced to identify different condensed phases, to study nucleation and phase transitions, and to define characteristic temperatures of transitions. The solid-state transition temperatures decreased with cluster size in the same way as did the melting temperature, in that the depression of transition temperature was inversely proportional to the cluster radius. Rotational melting temperatures, as inferred from the rotational diffusion of molecules, coincided with those of the solid-state transition. Nucleation in liquid-solid and bcc-monoclinic transitions started in the interior of clusters on cooling, and at the surface on heating. Transition temperatures on cooling were always lower than those on heating due to the barriers to nucleation. Linear growth rates of nuclei in freezing were an order of magnitude lower than those in the bcc-monoclinic transition. Revealing evidence about the molecular behavior associated with phase changes was found. Simulations showed the formation of the actual transition complexes along the transition pathway, i.e., the critical nuclei of the new phase. These nuclei, consisting of a few dozen molecules, were distinguishable in the midst of the surrounding matter

  3. Heterogeneous Nucleation and Growth of Nanoparticles at Environmental Interfaces.

    Science.gov (United States)

    Jun, Young-Shin; Kim, Doyoon; Neil, Chelsea W

    2016-09-20

    Mineral nucleation is a phase transformation of aqueous components to solids with an accompanying creation of new surfaces. In this evolutional, yet elusive, process, nuclei often form at environmental interfaces, which provide remarkably reactive sites for heterogeneous nucleation and growth. Naturally occurring nucleation processes significantly contribute to the biogeochemical cycles of important components in the Earth's crust, such as iron and manganese oxide minerals and calcium carbonate. However, in recent decades, these cycles have been significantly altered by anthropogenic activities, which affect the aqueous chemistry and equilibrium of both surface and subsurface systems. These alterations can trigger the dissolution of existing minerals and formation of new nanoparticles (i.e., nucleation and growth) and consequently change the porosity and permeability of geomedia in subsurface environments. Newly formed nanoparticles can also actively interact with components in natural and engineered aquatic systems, including those posing a significant hazard such as arsenic. These interactions can bilaterally influence the fate and transport of both newly formed nanoparticles and aqueous components. Due to their importance in natural and engineered processes, heterogeneous nucleation at environmental interfaces has started to receive more attention. However, a lack of time-resolved in situ analyses makes the evaluation of heterogeneous nucleation challenging because the physicochemical properties of both the nuclei and surfaces significantly and dynamically change with time and aqueous chemistry. This Account reviews our in situ kinetic studies of the heterogeneous nucleation and growth behaviors of iron(III) (hydr)oxide, calcium carbonate, and manganese (hydr)oxide minerals in aqueous systems. In particular, we utilized simultaneous small-angle and grazing incidence small-angle X-ray scattering (SAXS/GISAXS) to investigate in situ and in real-time the effects of

  4. Characterization of neutron leakage probability, k /SUB eff/ , and critical core surface mass density of small reactor assemblies through the Trombay criticality formula

    International Nuclear Information System (INIS)

    Kumar, A.; Rao, K.S.; Srinivasan, M.

    1983-01-01

    The Trombay criticality formula (TCF) has been derived by incorporating a number of well-known concepts of criticality physics to enable prediction of changes in critical size or k /SUB eff/ following alterations in geometrical and physical parameters of uniformly reflected small reactor assemblies characterized by large neutron leakage from the core. The variant parameters considered are size, shape, density and diluent concentration of the core, and density and thickness of the reflector. The effect of these changes (except core size) manifests, through sigma /SUB c/ the critical surface mass density of the ''corresponding critical core,'' that sigma, the massto-surface-area ratio of the core,'' is essentially a measure of the product /rho/ extended to nonspherical systems and plays a dominant role in the TCF. The functional dependence of k /SUB eff/ on sigma/sigma /SUB c/ , the system size relative to critical, is expressed in the TCF through two alternative representations, namely the modified Wigner rational form and, an exponential form, which is given

  5. FOREWORD: Heterogenous nucleation and microstructure formation—a scale- and system-bridging approach Heterogenous nucleation and microstructure formation—a scale- and system-bridging approach

    Science.gov (United States)

    Emmerich, H.

    2009-11-01

    Scope and aim of this volume. Nucleation and initial microstructure formation play an important role in almost all aspects of materials science [1-5]. The relevance of the prediction and control of nucleation and the subsequent microstructure formation is fully accepted across many areas of modern surface and materials science and technology. One reason is that a large range of material properties, from mechanical ones such as ductility and hardness to electrical and magnetic ones such as electric conductivity and magnetic hardness, depend largely on the specific crystalline structure that forms in nucleation and the subsequent initial microstructure growth. A very demonstrative example for the latter is the so called bamboo structure of an integrated circuit, for which resistance against electromigration [6] , a parallel alignment of grain boundaries vertical to the direction of electricity, is most favorable. Despite the large relevance of predicting and controlling nucleation and the subsequent microstructure formation, and despite significant progress in the experimental analysis of the later stages of crystal growth in line with new theoretical computer simulation concepts [7], details about the initial stages of solidification are still far from being satisfactorily understood. This is in particular true when the nucleation event occurs as heterogenous nucleation. The Priority Program SPP 1296 'Heterogenous Nucleation and Microstructure Formation—a Scale- and System-Bridging Approach' [8] sponsored by the German Research Foundation, DFG, intends to contribute to this open issue via a six year research program that enables approximately twenty research groups in Germany to work interdisciplinarily together following this goal. Moreover, it enables the participants to embed themselves in the international community which focuses on this issue via internationally open joint workshops, conferences and summer schools. An outline of such activities can be found

  6. One-dimensional critical heat flux concerning surface orientation and gap size effects

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yong Hoon; Suh, Kune Y. E-mail: kysuh@snu.ac.kr

    2003-12-01

    Tests were conducted to examine the critical heat flux (CHF) on a one-dimensional downward heating rectangular channel having a narrow gap by changing the orientation of the copper test heater assembly in a pool of saturated water under atmospheric pressure. The test parameters include both the gap sizes of 1, 2, 5 and 10 mm, and the surface orientation angles from the downward-facing position (180 deg.) to the vertical position (90 deg.), respectively. Also, the CHF experiments were performed for pool boiling with varying heater surface orientations in the unconfined space at atmospheric pressure using the rectangular test section. It was observed that the CHF generally decreases as the surface inclination angle increases and as the gap size decreases. In consistency with several studies reported in the literature, it was found that there exists a transition angle at which the CHF changes with a rapid slope. An engineering correlation is developed for the CHF during natural convective boiling in the inclined, confined rectangular channels with the aid of dimensional analysis. This correlation agrees with the experimental data of this study within {+-}20%.

  7. A note on the nucleation with multiple steps: Parallel and series nucleation

    OpenAIRE

    Iwamatsu, Masao

    2012-01-01

    Parallel and series nucleation are the basic elements of the complex nucleation process when two saddle points exist on the free-energy landscape. It is pointed out that the nucleation rates follow formulas similar to those of parallel and series connection of resistors or conductors in an electric circuit. Necessary formulas to calculate individual nucleation rates at the saddle points and the total nucleation rate are summarized and the extension to the more complex nucleation process is su...

  8. Critical surface phase of α2(2 × 4) reconstructed zig-zag chains on InAs(001)

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Xiang [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); Zhou, Xun [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); School of Physics and Electronics Science, Guizhou Normal University, Guizhou, Guiyang 550001 (China); Wang, Ji-Hong [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); Luo, Zi-Jiang [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); School of Education Administration, Guizhou University of Finance and Economics, Guizhou, Guiyang 550004 (China); Zhou, Qing; Liu, Ke; Hu, Ming-Zhe [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China); Ding, Zhao, E-mail: zding@gzu.edu.cn [Department of Electronic Information Science and Technology, Guizhou University, Guizhou, Guiyang 550025 (China)

    2014-07-01

    The critical condition for InAs(001) surface phase transition has been studied, the surface phase transition of InAs(001) showed discontinuity with hysteresis cycle as a function of substrate temperature. A mixed reconstruction surface and zig-zag chain α2(2 × 4) reconstruction surface have been observed by scanning tunneling microscopy. Considering the interaction and dynamics of surface arsenic atoms, the zig-zag chains of α2(2 × 4) reconstruction were found to be actually caused by the selective adsorption and desorption of surface arsenic dimers, they played a critical role in the surface phase transition between (2 × 4) and (4 × 2). - Highlights: • Discontinuous surface phase transition phenomena on the flat InAs(001) surface • Nanoscale InAs(001) surface observed by scanning tunneling microscopy • “Zig-Zag” chains of α2(2 × 4) reconstruction • Critical role in the surface phase transition between (2 × 4) and (4 × 2)

  9. Critical surface phase of α2(2 × 4) reconstructed zig-zag chains on InAs(001)

    International Nuclear Information System (INIS)

    Guo, Xiang; Zhou, Xun; Wang, Ji-Hong; Luo, Zi-Jiang; Zhou, Qing; Liu, Ke; Hu, Ming-Zhe; Ding, Zhao

    2014-01-01

    The critical condition for InAs(001) surface phase transition has been studied, the surface phase transition of InAs(001) showed discontinuity with hysteresis cycle as a function of substrate temperature. A mixed reconstruction surface and zig-zag chain α2(2 × 4) reconstruction surface have been observed by scanning tunneling microscopy. Considering the interaction and dynamics of surface arsenic atoms, the zig-zag chains of α2(2 × 4) reconstruction were found to be actually caused by the selective adsorption and desorption of surface arsenic dimers, they played a critical role in the surface phase transition between (2 × 4) and (4 × 2). - Highlights: • Discontinuous surface phase transition phenomena on the flat InAs(001) surface • Nanoscale InAs(001) surface observed by scanning tunneling microscopy • “Zig-Zag” chains of α2(2 × 4) reconstruction • Critical role in the surface phase transition between (2 × 4) and (4 × 2)

  10. Laboratory Studies of Temperature and Relative Humidity Dependence of Aerosol Nucleation during the TANGENT 2017 IOP Study

    Science.gov (United States)

    Ouyang, Q.; Tiszenkel, L.; Stangl, C. M.; Krasnomowitz, J.; Johnston, M. V.; Lee, S.

    2017-12-01

    In this poster, we will present recent measurements of temperature and relative humidity dependence of aerosol nucleation of sulfuric acid under the conditions representative of the ground level to the free troposphere. Aerosol nucleation is critically dependent on temperature, but the current global aerosol models use nucleation algorithms that are independent of temperature and relative humidity due to the lack of experimental data. Thus, these models fail to simulate nucleation in a wide range of altitude and latitude conditions. We are currently conducting the Tandem Aerosol Nucleation and Growth Environment Tube (TANGENT) the intense observation period (IOP) experiments to investigate the aerosol nucleation and growth properties independently, during nucleation and growth. Nucleation takes place from sulfuric acid, water and some base compounds in a fast flow nucleation tube (FT-1). Nucleation precursors are detected with two chemical ionization mass spectrometers (CIMS) and newly nucleated particles are measured with a particle size magnifier (PSM) and a scanning mobility particle sizers (SMPS). Then these particles grow further in the second flow tube (FT-2) in the presence of oxidants of biogenic organic compounds. Chemical compositions of grown particles are further analyzed with a nano-aerosol mass spectrometer (NAMS). Our experimental results will provide a robust algorithm for aerosol nucleation and growth rates as a function of temperature and relative humidity.

  11. Global observations and modeling of atmosphere-surface exchange of elemental mercury: a critical review

    Science.gov (United States)

    Zhu, Wei; Lin, Che-Jen; Wang, Xun; Sommar, Jonas; Fu, Xuewu; Feng, Xinbin

    2016-04-01

    Reliable quantification of air-surface fluxes of elemental Hg vapor (Hg0) is crucial for understanding mercury (Hg) global biogeochemical cycles. There have been extensive measurements and modeling efforts devoted to estimating the exchange fluxes between the atmosphere and various surfaces (e.g., soil, canopies, water, snow, etc.) in the past three decades. However, large uncertainties remain due to the complexity of Hg0 bidirectional exchange, limitations of flux quantification techniques and challenges in model parameterization. In this study, we provide a critical review on the state of science in the atmosphere-surface exchange of Hg0. Specifically, the advancement of flux quantification techniques, mechanisms in driving the air-surface Hg exchange and modeling efforts are presented. Due to the semi-volatile nature of Hg0 and redox transformation of Hg in environmental media, Hg deposition and evasion are influenced by multiple environmental variables including seasonality, vegetative coverage and its life cycle, temperature, light, moisture, atmospheric turbulence and the presence of reactants (e.g., O3, radicals, etc.). However, the effects of these processes on flux have not been fundamentally and quantitatively determined, which limits the accuracy of flux modeling. We compile an up-to-date global observational flux database and discuss the implication of flux data on the global Hg budget. Mean Hg0 fluxes obtained by micrometeorological measurements do not appear to be significantly greater than the fluxes measured by dynamic flux chamber methods over unpolluted surfaces (p = 0.16, one-tailed, Mann-Whitney U test). The spatiotemporal coverage of existing Hg0 flux measurements is highly heterogeneous with large data gaps existing in multiple continents (Africa, South Asia, Middle East, South America and Australia). The magnitude of the evasion flux is strongly enhanced by human activities, particularly at contaminated sites. Hg0 flux observations in East

  12. Global observations and modeling of atmosphere–surface exchange of elemental mercury: a critical review

    Directory of Open Access Journals (Sweden)

    W. Zhu

    2016-04-01

    Full Text Available Reliable quantification of air–surface fluxes of elemental Hg vapor (Hg0 is crucial for understanding mercury (Hg global biogeochemical cycles. There have been extensive measurements and modeling efforts devoted to estimating the exchange fluxes between the atmosphere and various surfaces (e.g., soil, canopies, water, snow, etc. in the past three decades. However, large uncertainties remain due to the complexity of Hg0 bidirectional exchange, limitations of flux quantification techniques and challenges in model parameterization. In this study, we provide a critical review on the state of science in the atmosphere–surface exchange of Hg0. Specifically, the advancement of flux quantification techniques, mechanisms in driving the air–surface Hg exchange and modeling efforts are presented. Due to the semi-volatile nature of Hg0 and redox transformation of Hg in environmental media, Hg deposition and evasion are influenced by multiple environmental variables including seasonality, vegetative coverage and its life cycle, temperature, light, moisture, atmospheric turbulence and the presence of reactants (e.g., O3, radicals, etc.. However, the effects of these processes on flux have not been fundamentally and quantitatively determined, which limits the accuracy of flux modeling. We compile an up-to-date global observational flux database and discuss the implication of flux data on the global Hg budget. Mean Hg0 fluxes obtained by micrometeorological measurements do not appear to be significantly greater than the fluxes measured by dynamic flux chamber methods over unpolluted surfaces (p = 0.16, one-tailed, Mann–Whitney U test. The spatiotemporal coverage of existing Hg0 flux measurements is highly heterogeneous with large data gaps existing in multiple continents (Africa, South Asia, Middle East, South America and Australia. The magnitude of the evasion flux is strongly enhanced by human activities, particularly at contaminated sites. Hg0

  13. A Modified Critical State Two-surface Plasticity Model for Sand

    DEFF Research Database (Denmark)

    Bakmar, Christian LeBlanc; Hededal, O.; Ibsen, Lars Bo

    This paper provides background information and documentation for the implementation of a robust plasticity model as a user-subroutine in the commercial finite difference code, FLAC3D by Itasca. The plasticity model presented is equal to the 3 dimensional critical state two-surface plasticity model...... volumetric and stress-strain behaviour under monotonic and cyclic loading and thereby related observations like accumulation of pore pressure, cyclic mobility and cyclic liquefaction. The plasticity model is implemented with an integration scheme based on the general return mapping algorithm. The integration...... scheme faces convergence difficulties, primarily at very low mean effective stresses. The convergence problems are addressed by suitable correction strategies designed to add robustness, stability and efficiency to the integration scheme. An outline of all model parameters is given with suggestions...

  14. A classical density functional investigation of nucleation

    International Nuclear Information System (INIS)

    Ghosh, Satinath; Ghosh, Swapan K.

    2009-01-01

    Study of nucleation and growth phenomena in condensation is of prime importance in various applications such as crystal growth, nanoparticle synthesis, pattern formation etc. The knowledge of nucleation barrier in condensation is necessary to control the nucleation kinetics, size of the nanoparticles etc. Classical nucleation theory (CNT) assumes the density of the drop as bulk density irrespective of the size of the drop and overestimates the nucleation barrier. Here we are interested in solving the problem analytically using density functional theory (DFT) with square gradient approximation along the lines of Cahn and Hilliard. Nucleation barrier and density profile obtained in this work are consistent with other works based on nonclassical theory. (author)

  15. Evolution of newborn neutron stars: role of quark matter nucleation

    International Nuclear Information System (INIS)

    Bombaci, Ignazio; Logoteta, Domenico; Providencia, Constança; Vidaña, Isaac

    2011-01-01

    A phase of strong interacting matter with deconfined quarks is expected in the core of massive neutron stars. We study the quark deconfinement phase transition in cold (T = 0) and hot β-stable hadronic matter. Assuming a first order phase transition, we calculate and compare the nucleation rate and the nucleation time due to thermal and quantum nucleation mechanisms. We show that above a threshold value of the central pressure a pure hadronic star (HS) is metastable to the conversion to a quark star (QS) (i.e. hybrid star or strange star). We introduce the concept of critical mass M cr for cold HSs and proto-hadronic stars (PHSs), and the concept of limiting conversion temperature for PHSs. We show that PHSs with a mass M cr could survive the early stages of their evolution without decaying to QSs. Finally, we discuss the possible evolutionary paths of proto-hadronic stars.

  16. A two-parameter extension of classical nucleation theory

    Science.gov (United States)

    Lutsko, James F.; Durán-Olivencia, Miguel A.

    2015-06-01

    A two-variable stochastic model for diffusion-limited nucleation is developed using a formalism derived from fluctuating hydrodynamics. The model is a direct generalization of the standard classical nucleation theory (CNT). The nucleation rate and pathway are calculated in the weak-noise approximation and are shown to be in good agreement with direct numerical simulations for the weak-solution/strong-solution transition in globular proteins. We find that CNT underestimates the time needed for the formation of a critical cluster by two orders of magnitude and that this discrepancy is due to the more complex dynamics of the two variable model and not, as often is assumed, a result of errors in the estimation of the free energy barrier.

  17. A two-parameter extension of classical nucleation theory

    International Nuclear Information System (INIS)

    Lutsko, James F; Durán-Olivencia, Miguel A

    2015-01-01

    A two-variable stochastic model for diffusion-limited nucleation is developed using a formalism derived from fluctuating hydrodynamics. The model is a direct generalization of the standard classical nucleation theory (CNT). The nucleation rate and pathway are calculated in the weak-noise approximation and are shown to be in good agreement with direct numerical simulations for the weak-solution/strong-solution transition in globular proteins. We find that CNT underestimates the time needed for the formation of a critical cluster by two orders of magnitude and that this discrepancy is due to the more complex dynamics of the two variable model and not, as often is assumed, a result of errors in the estimation of the free energy barrier. (paper)

  18. Determination of Critical Conditions for Puncturing Almonds Using Coupled Response Surface Methodology and Genetic Algorithm

    Directory of Open Access Journals (Sweden)

    Mahmood Mahmoodi-Eshkaftaki

    2013-01-01

    Full Text Available In this study, the effect of seed moisture content, probe diameter and loading velocity (puncture conditions on some mechanical properties of almond kernel and peeled almond kernel is considered to model a relationship between the puncture conditions and rupture energy. Furthermore, distribution of the mechanical properties is determined. The main objective is to determine the critical values of mechanical properties significant for peeling machines. The response surface methodology was used to find the relationship between the input parameters and the output responses, and the fitness function was applied to measure the optimal values using the genetic algorithm. Two-parameter Weibull function was used to describe the distribution of mechanical properties. Based on the Weibull parameter values, i.e. shape parameter (β and scale parameter (η calculated for each property, the mechanical distribution variations were completely described and it was confirmed that the mechanical properties are rule governed, which makes the Weibull function suitable for estimating their distributions. The energy model estimated using response surface methodology shows that the mechanical properties relate exponentially to the moisture, and polynomially to the loading velocity and probe diameter, which enabled successful estimation of the rupture energy (R²=0.94. The genetic algorithm calculated the critical values of seed moisture, probe diameter, and loading velocity to be 18.11 % on dry mass basis, 0.79 mm, and 0.15 mm/min, respectively, and optimum rupture energy of 1.97·10-³ J. These conditions were used for comparison with new samples, where the rupture energy was experimentally measured to be 2.68 and 2.21·10-³ J for kernel and peeled kernel, respectively, which was nearly in agreement with our model results.

  19. Nucleation of iron nitrides during gaseous nitriding of iron; the effect of a preoxidation treatment

    DEFF Research Database (Denmark)

    Friehling, Peter B.; Poulsen, Finn Willy; Somers, Marcel A.J.

    2001-01-01

    grains. On prolonged nitriding, immediate nucleation at the surface of iron grains becomes possible. Calculated incubation times for the nucleation of gamma'-Fe4N1-x during nitriding are generally longer than those observed experimentally in the present work. The incubation time is reduced dramatically...

  20. Parametrization of the homogeneous ice nucleation rate for the numerical simulation of multiphase flow

    Czech Academy of Sciences Publication Activity Database

    Němec, Tomáš; Eisenschmidt, K.; Rauschenberger, P.; Weigand, B.

    2012-01-01

    Roč. 12, č. 1 (2012), s. 533-534 ISSN 1617-7061 R&D Projects: GA ČR GAP101/10/1819 Institutional research plan: CEZ:AV0Z20760514 Keywords : ice nucleation * ice-water surface energy * classical nucleation theory Subject RIV: BJ - Thermodynamics http://onlinelibrary.wiley.com/doi/10.1002/pamm.201210255/abstract

  1. Immersion freezing of ice nucleation active protein complexes

    Directory of Open Access Journals (Sweden)

    S. Hartmann

    2013-06-01

    nucleation are attached to the outer membrane of intact bacteria or membrane fragments, (c the temperature range in which heterogeneous droplet freezing occurs, and the fraction of droplets being able to freeze, both depend on the actual number of INA protein complexes present in the droplet ensemble, and (d possible artifacts suspected to occur in connection with the drop freezing method, i.e., the method frequently used by biologist for quantifying ice nucleation behaviour, are of minor importance, at least for substances such as P. syringae, which induce freezing at comparably high temperatures. The last statement implies that for single ice nucleation entities such as INA protein complexes, it is the number of entities present in the droplet population, and the entities' nucleation rate, which control the freezing behaviour of the droplet population. Quantities such as ice active surface site density are not suitable in this context. The results obtained in this study allow a different perspective on the quantification of the immersion freezing behaviour of bacterial ice nucleation.

  2. Influence of the heater material on the critical heat load at boiling of liquids on surfaces with different sizes

    Science.gov (United States)

    Anokhina, E. V.

    2010-05-01

    Data on critical heat loads q cr for the saturated and unsaturated pool boiling of water and ethanol under atmospheric pressure are reported. It is found experimentally that the critical heat load does not necessarily coincide with the heat load causing burnout of the heater, which should be taken into account. The absolute values of q cr for the boiling of water and ethanol on copper surfaces 65, 80, 100, 120, and 200 μm in diameter; tungsten surface 100 μm in diameter; and nichrome surface 100 μm in diameter are obtained experimentally.

  3. Mapping the surface of MNKr2 and CopZ - identification of residues critical for metallotransfer

    International Nuclear Information System (INIS)

    Jones, C.E.; Cobine, P.A.; Dameron, C.T.

    2001-01-01

    Full text: Cells utilise a network of proteins that include CPx-type ATPases and metallochaperones to balance intracellular copper concentration. The Menkes ATPase has six N-terminal domains which bind Cu(I) and are critical for ATPase function. The NMR solution structure of the second domain (MNKr2) shows that the structure adopts an 'open-faced β-sandwich' fold, in which two α-helices lie over a single four stranded β-sheet. The global fold is identical to the bacterial copper chaperone CopZ MNKr2 is unable to substitute for CopZ in copper transfer to the cop operon represser, CopY. To investigate how structure affects function we have analysed the surface features of MNKr2 and CopZ Despite having the same global fold, MNKr2 and CopZ have contrasting electrostatic surfaces, which may partially explain the inability of MNKr2 to transfer copper to CopY

  4. Critical insight into the influence of the potential energy surface on fission dynamics

    International Nuclear Information System (INIS)

    Mazurek, K.; Schmitt, C.; Wieleczko, J. P.; Ademard, G.; Nadtochy, P. N.

    2011-01-01

    The present work is dedicated to a careful investigation of the influence of the potential energy surface on the fission process. The time evolution of nuclei at high excitation energy and angular momentum is studied by means of three-dimensional Langevin calculations performed for two different parametrizations of the macroscopic potential: the Finite Range Liquid Drop Model (FRLDM) and the Lublin-Strasbourg Drop (LSD) prescription. Depending on the mass of the system, the topology of the potential throughout the deformation space of interest in fission is observed to noticeably differ within these two approaches, due to the treatment of curvature effects. When utilized in the dynamical calculation as the driving potential, the FRLDM and LSD models yield similar results in the heavy-mass region, whereas the predictions can be strongly dependent on the Potential Energy Surface (PES) for medium-mass nuclei. In particular, the mass, charge, and total kinetic energy distributions of the fission fragments are found to be narrower with the LSD prescription. The influence of critical model parameters on our findings is carefully investigated. The present study sheds light on the experimental conditions and signatures well suited for constraining the parametrization of the macroscopic potential. Its implication regarding the interpretation of available experimental data is briefly discussed.

  5. An analytic model of pool boiling critical heat flux on an immerged downward facing curved surface

    International Nuclear Information System (INIS)

    He, Hui; Pan, Liang-ming; Wu, Yao; Chen, De-qi

    2015-01-01

    Highlights: • Thin liquid film and supplement of liquid contribute to the CHF. • CHF increases from the bottom to the upper of the lowerhead. • Evaporation of thin liquid film is dominant nearby bottom region. • The subcooling has significant effects on the CHF. - Abstract: In this paper, an analytical model of the critical heat flux (CHF) on the downward facing curved surface for pool boiling has been proposed, which hypothesizes that the CHF on the downward facing curved is composed of two parts, i.e. the evaporation of the thin liquid film underneath the elongated bubble adhering to the lower head outer surface and the depletion of supplement of liquid due to the relative motion of vapor bubbles along with the downward facing curved. The former adopts the Kelvin–Helmholtz instability analysis of vapor–liquid interface of the vapor jets which penetrating in the thin liquid film. When the heat flux closing to the CHF point, the vapor–liquid interface becomes highly distorted, which block liquid to feed the thin liquid film and the thin liquid film will dry out gradually. While the latter considers that the vapor bubbles move along with the downward facing curved surface, and the liquid in two-phase boundary layer enter the liquid film that will be exhausted when the CHF occurs. Based on the aforementioned mechanism and the energy balance between the thin liquid film evaporation and water feeding, and taking the subcooling of the bulk water into account, the mathematic model about the downward facing curved surface CHF has been proposed. The CHF of the downward facing curved surface for pool boiling increases along with the downward facing orientation except in the vicinity of bottom center region, because in this region the vapor bubble almost stagnates and the evaporation of the thin liquid film is dominant. In addition, the subcooling has significant effect on the CHF. Comparing the result of this model with the published experimental results show

  6. Critical analysis of the condensation of water vapor at external surface of the duct

    Science.gov (United States)

    Kumar, Dileep; Memon, Rizwan Ahmed; Memon, Abdul Ghafoor; Ali, Intizar; Junejo, Awais

    2018-01-01

    In this paper, the effects of contraction of the insulation of the air duct of heating, ventilation, and air conditioning (HVAC) system is investigated. The compression of the insulation contracts it at joint, turn and other points of the duct. The energy loss and the condensation resulted from this contraction are also estimated. A mathematical model is developed to simulate the effects of this contraction on the heat gain, supply air temperature and external surface temperature of the duct. The simulation uses preliminary data obtained from an HVAC system installed in a pharmaceutical company while varying the operating conditions. The results reveal that insulation thickness should be kept greater than 30 mm and the volume flow rate of the selected air distribution system should be lower than 1.4m3/s to subside condensation on the external surface of the duct. Additionally, the optimum insulation thickness was determined by considering natural gas as an energy source and fiberglass as an insulation material. The optimum insulation thickness determined for different duct sizes varies from 28 to 45 mm, which is greater than the critical insulation thickness. Therefore, the chances of condensation on the external surface of the duct could be avoided at an optimum insulation thickness. Moreover, the effect of pressure loss coefficient of the duct fitting of air distribution system is estimated. The electricity consumption in air handling unit (AHU) decreases from 2.1 to 1.5 kW by decreasing the pressure loss coefficient from 1.5 to 0.5.

  7. THE PREDICTION OF VOID VOLUME IN SUBCOOLED NUCLEATE POOL BOILING

    Energy Technology Data Exchange (ETDEWEB)

    Duke, E. E. [General Dynamics, San Diego, CA (United States)

    1963-11-15

    A three- step equation was developed that adequately describes the average volume of vapor occurring on a horizontal surface due to nucleate pool boiling of subcooled water. Since extensive bubble frequency data are lacking, the data of others were combined with experimental observations to make predictions of void volume at ambient pressure with various degrees of subcooling. (auth)

  8. The acceleration of solid particles subjected to cavitation nucleation

    DEFF Research Database (Denmark)

    Borkent, B.M.; Arora, M.; Ohl, C.-D.

    2008-01-01

    The cavity -particle dynamics at cavitation inception on the surface of spherical particles suspended in water and exposed to a strong tensile stress wave is experimentally studied with high-speed photography. Particles, which serve as nucleation sites for cavitation bubbles, are set into a fast...

  9. Homogeneous SPC/E water nucleation in large molecular dynamics simulations.

    Science.gov (United States)

    Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K; Tanaka, Hidekazu

    2015-08-14

    We perform direct large molecular dynamics simulations of homogeneous SPC/E water nucleation, using up to ∼ 4 ⋅ 10(6) molecules. Our large system sizes allow us to measure extremely low and accurate nucleation rates, down to ∼ 10(19) cm(-3) s(-1), helping close the gap between experimentally measured rates ∼ 10(17) cm(-3) s(-1). We are also able to precisely measure size distributions, sticking efficiencies, cluster temperatures, and cluster internal densities. We introduce a new functional form to implement the Yasuoka-Matsumoto nucleation rate measurement technique (threshold method). Comparison to nucleation models shows that classical nucleation theory over-estimates nucleation rates by a few orders of magnitude. The semi-phenomenological nucleation model does better, under-predicting rates by at worst a factor of 24. Unlike what has been observed in Lennard-Jones simulations, post-critical clusters have temperatures consistent with the run average temperature. Also, we observe that post-critical clusters have densities very slightly higher, ∼ 5%, than bulk liquid. We re-calibrate a Hale-type J vs. S scaling relation using both experimental and simulation data, finding remarkable consistency in over 30 orders of magnitude in the nucleation rate range and 180 K in the temperature range.

  10. The effects of ice on methane hydrate nucleation: a microcanonical molecular dynamics study.

    Science.gov (United States)

    Zhang, Zhengcai; Guo, Guang-Jun

    2017-07-26

    Although ice powders are widely used in gas hydrate formation experiments, the effects of ice on hydrate nucleation and what happens in the quasi-liquid layer of ice are still not well understood. Here, we used high-precision constant energy molecular dynamics simulations to study methane hydrate nucleation from vapor-liquid mixtures exposed to the basal, prismatic, and secondary prismatic planes of hexagonal ice (ice Ih). Although no significant difference is observed in hydrate nucleation processes for these different crystal planes, it is found, more interestingly, that methane hydrate can nucleate either on the ice surface heterogeneously or in the bulk solution phase homogeneously. Several factors are mentioned to be able to promote the heterogeneous nucleation of hydrates, including the adsorption of methane molecules at the solid-liquid interface, hydrogen bonding between hydrate cages and the ice structure, the stronger ability of ice to transfer heat than that of the aqueous solution, and the higher occurrence probability of hydrate cages in the vicinity of the ice surface than in the bulk solution. Meanwhile, however, the other factors including the hydrophilicity of ice and the ice lattice mismatch with clathrate hydrates can inhibit heterogeneous nucleation on the ice surface and virtually promote homogeneous nucleation in the bulk solution. Certainly, the efficiency of ice as a promoter and as an inhibitor for heterogeneous nucleation is different. We estimate that the former is larger than the latter under the working conditions. Additionally, utilizing the benefit of ice to absorb heat, the NVE simulation of hydrate formation with ice can mimic the phenomenon of ice shrinking during the heterogeneous nucleation of hydrates and lower the overly large temperature increase during homogeneous nucleation. These results are helpful in understanding the nucleation mechanism of methane hydrate in the presence of ice.

  11. Nucleation and adhesion of diamond films on Co cemented tungsten carbide

    Energy Technology Data Exchange (ETDEWEB)

    Polini, R.; Santarelli, M.; Traversa, E.

    1999-12-01

    Diamond deposits were grown using hot filament chemical vapor deposition (CVD) on pretreated Co cemented tungsten carbide (WC-Co) substrates with an average grain size of 6 {micro}m. Depositions were performed with 0.5 or 1.0% methane concentration and with substrate temperatures ranging from 750 to 1,000 C. Diamond nucleation densities were measured by scanning electron microscopy. Scratched and bias-enhanced nucleation pretreated substrates showed the larger nucleation densities. Etching of the WC performed by Murakami's reagent, followed by surface-Co dissolution (MP pretreatment), led to a roughened but scarcely nucleating surface. The performance of a scratching prior to the MP pretreatment allowed one to increase the nucleation density, due scratching-induced defects, confined in the outermost layer of WC grains, which act as nucleation sites. Smaller nucleation densities were observed with increasing the substrate temperature and reducing the methane concentration, confirming that diamond nucleates via a heterogeneous process. The adhesion of continuous films was evaluated by the reciprocal of the slope of crack radius-indentation load functions. The substrate pretreatments mainly affected the film adhesion, while the influence of CVD process conditions was minor. The two main factors that improve the diamond film adhesion are the coating-substrate contact area and the surface-Co removal.

  12. Nucleation in Polymers and Soft Matter

    Science.gov (United States)

    Xu, Xiaofei; Ting, Christina L.; Kusaka, Isamu; Wang, Zhen-Gang

    2014-04-01

    Nucleation is a ubiquitous phenomenon in many physical, chemical, and biological processes. In this review, we describe recent progress on the theoretical study of nucleation in polymeric fluids and soft matter, including binary mixtures (polymer blends, polymers in poor solvents, compressible polymer-small molecule mixtures), block copolymer melts, and lipid membranes. We discuss the methodological development for studying nucleation as well as novel insights and new physics obtained in the study of the nucleation behavior in these systems.

  13. An improved nucleate boiling design equation

    International Nuclear Information System (INIS)

    Basu, D.K.; Pinder, K.L.

    1976-01-01

    The effect of varying ΔT, the primary variable, on the value of heat transfer coefficient (h) in nucleate boiling is discussed. The three-parameter quadratic equation, h=P 1 + P 2 (ΔT) + P 3 (ΔT) 2 (where the constants, P 1 ,P 2 ,P 3 are functions of pressure, liquid properties and surface properties of the heater) is suggested. Ten sets of data at atmospheric pressure from six different workers and two more sets for pressure variation have been tested. The above quadratic equation fits the experimental data better than the existing two-parameter power relation, h=C(ΔT)sup(n) (where C is constant). The values of the three coeffcients in the quadratic equations are dependent on pressure, liquid properties and surface properties. A generalized empirical equation has been derived, which fits the selected pressure data well. (author)

  14. Nucleation mechanisms in high energy ion beam induced dewetting

    Energy Technology Data Exchange (ETDEWEB)

    Haag, Michael; Garmatter, Daniel; Ferhati, Redi; Amirthapandian, Sankarakumar; Bolse, Wolfgang [Institut fuer Halbleiteroptik und Funktionelle Grenzflaechen, Universitaet Stuttgart (Germany)

    2011-07-01

    Solid coatings, when heated above their melting points, often break up by forming small round holes, which then grow, coalesce and finally turn the initially contiguous film into a pattern of isolated droplets. Such dewetting has been intensively studied using thin polymer films on Si. Three different hole nucleation mechanisms were discovered: homogeneous (spontaneous) nucleation, heterogeneous nucleation at defects, and spinodal dewetting by self-amplifying capillary waves. We have recently found that swift heavy ion (SHI) irradiation of thin oxide films on Si results in similar dewetting patterns, even though the films were kept far below their melting points. Using our new in-situ SEM at the UNILAC accelerator of GSI, we were now able to identify the mechanisms behind this SHI induced dewetting phenomenon. By varying the film thickness and introducing defects at the interface, we can directly address the hole nucleation processes. Besides homogeneous and heterogeneous nucleation, we also found a process, which very much resembles the spinodal mechanism found for liquid polymers, although in the present case the instable wavy surface is not generated by capillary waves, but by ion beam induced stresses.

  15. Nucleation in bubble chambers

    International Nuclear Information System (INIS)

    Harigel, G.G.

    1988-01-01

    Various sources and mechanisms for bubble formation in superheated liquids are discussed. Bubble chambers can be filled with a great variety of liquids, such as e.g. the cryogenic liquids hydrogen, deuterium, neon, neon/hydrogen mixtures, argon, nitrogen, argon/nitrogen mixtures, or the warm liquids propane and various Freon like Freon-13B1. The superheated state is normally achieved by a rapid movement of an expansion piston or membrane, but can also be produced by standing ultrasonic waves, shock waves, or putting liquids under tension. Bubble formation can be initiated by ionizing particles, by intense (laser) light, or on rough surfaces. The creation of embryonic bubbles is not completely understood, but the macroscopic growth and condensation can be calculated, allowing to estimate the dynamic heat load [fr

  16. Homogeneous nucleation of water in synthetic air

    NARCIS (Netherlands)

    Fransen, M.A.L.J.; Sachteleben, E.; Hruby, J.; Smeulders, D.M.J.; DeMott, P.J.; O'Dowd, C.D.

    2013-01-01

    Homogeneous nucleation rates for water vapor in synthetic air are measured by means of a Pulse-Expansion Wave Tube (PEWT). A comparison of the experimental nucleation rates with the Classical Nucleation Theory (CNT) shows that a more elaborated model is necessary to describe supercooled water

  17. A classical view on nonclassical nucleation

    NARCIS (Netherlands)

    Smeets, P.J.M.; Finney, A.R.; Habraken, W.J.E.M.; Nudelman, F.; Friedrich, H.; Laven, J.; De Yoreo, J.J.; Rodger, P.M.; Sommerdijk, N.A.J.M.

    2017-01-01

    Understanding and controlling nucleation is important for many crystallization applications. Calcium carbonate (CaCO3) is often used as a model system to investigate nucleation mechanisms. Despite its great importance in geology, biology, and many industrial applications, CaCO3 nucleation is still a

  18. The approximate determination of the critical temperature of a liquid by measuring surface tension versus the temperature

    International Nuclear Information System (INIS)

    Maroto, J A; Nieves, F J de las; Quesada-Perez, M

    2004-01-01

    A classical experience in a physics student laboratory is to determine the surface tension of a liquid versus the temperature and to check the linear appearance of the obtained graph. In this work we show a simple method to estimate the critical temperature of three liquids by using experimental data of surface tension at different temperatures. By a logarithm fitting between surface tension and temperature, the critical temperature can be determined and compared with data from the literature. For two liquids (butanol and nitrobenzene) the comparison is acceptable but the differences are too high for the third liquid (water). By discussing the results it seems to be clear that the difference between the critical temperature of the liquid and the maximum temperature of the surface tension measurements is the determining factor in obtaining acceptable results. From this study it is possible to obtain more information on the liquid characteristics from surface tension measurements that are currently carried out in a student laboratory. Besides, in this paper it is shown how to select the most suitable liquids which provide both acceptable values for the critical temperature and measurements of the surface tension at moderate temperatures. The complementary use of numerical methods permits us to offer a complete experience for the students with a simple laboratory experiment which we recommend for physics students in advanced university courses

  19. Gas–liquid nucleation at large metastability: unusual features and a new formalism

    International Nuclear Information System (INIS)

    Santra, Mantu; Singh, Rakesh S; Bagchi, Biman

    2011-01-01

    Nucleation at large metastability is still largely an unsolved problem, even though it is a problem of tremendous current interest, with wide-ranging practical value, from atmospheric research to materials science. It is now well accepted that the classical nucleation theory (CNT) fails to provide a qualitative picture and gives incorrect quantitative values for such quantities as activation-free energy barrier and supersaturation dependence of nucleation rate, especially at large metastability. In this paper, we present an alternative formalism to treat nucleation at large supersaturation by introducing an extended set of order parameters in terms of the kth largest liquid-like clusters, where k = 1 is the largest cluster in the system, k = 2 is the second largest cluster and so on. At low supersaturation, the size of the largest liquid-like cluster acts as a suitable order parameter. At large supersaturation, the free energy barrier for the largest liquid-like cluster disappears. We identify this supersaturation as the one at the onset of kinetic spinodal. The kinetic spinodal is system-size-dependent. Beyond kinetic spinodal many clusters grow simultaneously and competitively and hence the nucleation and growth become collective. In order to describe collective growth, we need to consider the full set of order parameters. We derive an analytic expression for the free energy of formation of the kth largest cluster. The expression predicts that, at large metastability (beyond kinetic spinodal), the barrier of growth for several largest liquid-like clusters disappears, and all these clusters grow simultaneously. The approach to the critical size occurs by barrierless diffusion in the cluster size space. The expression for the rate of barrier crossing predicts weaker supersaturation dependence than what is predicted by CNT at large metastability. Such a crossover behavior has indeed been observed in recent experiments (but eluded an explanation till now). In order

  20. Gas-liquid nucleation at large metastability: unusual features and a new formalism

    Science.gov (United States)

    Santra, Mantu; Singh, Rakesh S.; Bagchi, Biman

    2011-03-01

    Nucleation at large metastability is still largely an unsolved problem, even though it is a problem of tremendous current interest, with wide-ranging practical value, from atmospheric research to materials science. It is now well accepted that the classical nucleation theory (CNT) fails to provide a qualitative picture and gives incorrect quantitative values for such quantities as activation-free energy barrier and supersaturation dependence of nucleation rate, especially at large metastability. In this paper, we present an alternative formalism to treat nucleation at large supersaturation by introducing an extended set of order parameters in terms of the kth largest liquid-like clusters, where k = 1 is the largest cluster in the system, k = 2 is the second largest cluster and so on. At low supersaturation, the size of the largest liquid-like cluster acts as a suitable order parameter. At large supersaturation, the free energy barrier for the largest liquid-like cluster disappears. We identify this supersaturation as the one at the onset of kinetic spinodal. The kinetic spinodal is system-size-dependent. Beyond kinetic spinodal many clusters grow simultaneously and competitively and hence the nucleation and growth become collective. In order to describe collective growth, we need to consider the full set of order parameters. We derive an analytic expression for the free energy of formation of the kth largest cluster. The expression predicts that, at large metastability (beyond kinetic spinodal), the barrier of growth for several largest liquid-like clusters disappears, and all these clusters grow simultaneously. The approach to the critical size occurs by barrierless diffusion in the cluster size space. The expression for the rate of barrier crossing predicts weaker supersaturation dependence than what is predicted by CNT at large metastability. Such a crossover behavior has indeed been observed in recent experiments (but eluded an explanation till now). In order

  1. Numerical Investigation of Earthquake Nucleation on a Laboratory-Scale Heterogeneous Fault with Rate-and-State Friction

    Science.gov (United States)

    Higgins, N.; Lapusta, N.

    2014-12-01

    Many large earthquakes on natural faults are preceded by smaller events, often termed foreshocks, that occur close in time and space to the larger event that follows. Understanding the origin of such events is important for understanding earthquake physics. Unique laboratory experiments of earthquake nucleation in a meter-scale slab of granite (McLaskey and Kilgore, 2013; McLaskey et al., 2014) demonstrate that sample-scale nucleation processes are also accompanied by much smaller seismic events. One potential explanation for these foreshocks is that they occur on small asperities - or bumps - on the fault interface, which may also be the locations of smaller critical nucleation size. We explore this possibility through 3D numerical simulations of a heterogeneous 2D fault embedded in a homogeneous elastic half-space, in an attempt to qualitatively reproduce the laboratory observations of foreshocks. In our model, the simulated fault interface is governed by rate-and-state friction with laboratory-relevant frictional properties, fault loading, and fault size. To create favorable locations for foreshocks, the fault surface heterogeneity is represented as patches of increased normal stress, decreased characteristic slip distance L, or both. Our simulation results indicate that one can create a rate-and-state model of the experimental observations. Models with a combination of higher normal stress and lower L at the patches are closest to matching the laboratory observations of foreshocks in moment magnitude, source size, and stress drop. In particular, we find that, when the local compression is increased, foreshocks can occur on patches that are smaller than theoretical critical nucleation size estimates. The additional inclusion of lower L for these patches helps to keep stress drops within the range observed in experiments, and is compatible with the asperity model of foreshock sources, since one would expect more compressed spots to be smoother (and hence have

  2. Cumulative distribution functions associated with bubble-nucleation processes in cavitation

    KAUST Repository

    Watanabe, Hiroshi

    2010-11-15

    Bubble-nucleation processes of a Lennard-Jones liquid are studied by molecular dynamics simulations. Waiting time, which is the lifetime of a superheated liquid, is determined for several system sizes, and the apparent finite-size effect of the nucleation rate is observed. From the cumulative distribution function of the nucleation events, the bubble-nucleation process is found to be not a simple Poisson process but a Poisson process with an additional relaxation time. The parameters of the exponential distribution associated with the process are determined by taking the relaxation time into account, and the apparent finite-size effect is removed. These results imply that the use of the arithmetic mean of the waiting time until a bubble grows to the critical size leads to an incorrect estimation of the nucleation rate. © 2010 The American Physical Society.

  3. How capping protein enhances actin filament growth and nucleation on biomimetic beads.

    Science.gov (United States)

    Wang, Ruizhe; Carlsson, Anders E

    2015-11-25

    Capping protein (CP), which caps the growing ends of actin filaments, accelerates actin-based motility. Recent experiments on biomimetic beads have shown that CP also enhances the rate of actin filament nucleation. Proposed explanations for these phenomena include (i) the actin funneling hypothesis (AFH), in which the presence of CP increases the free-actin concentration, and (ii) the monomer gating model, in which CP binding to actin filament barbed ends makes more monomers available for filament nucleation. To establish how CP increases the rates of filament elongation and nucleation on biomimetic beads, we perform a quantitative modeling analysis of actin polymerization, using rate equations that include actin filament nucleation, polymerization and capping, as modified by monomer depletion near the surface of the bead. With one adjustable parameter, our simulation results match previously measured time courses of polymerized actin and filament number. The results support a version of the AFH where CP increases the local actin monomer concentration at the bead surface, but leaves the global free-actin concentration nearly constant. Because the rate of filament nucleation increases with the monomer concentration, the increased local monomer concentration enhances actin filament nucleation. We derive a closed-form formula for the characteristic CP concentration where the local free-actin concentration reaches half the bulk value, and find it to be comparable to the global Arp2/3 complex concentration. We also propose an experimental protocol for distinguishing branching nucleation of filaments from spontaneous nucleation.

  4. [Importance of cleaning and disinfection of critical surfaces in dental health services. Impact of an intervention program].

    Science.gov (United States)

    Véliz, Elena; Vergara, Teresa; Pearcy, Mercedes; Dabanch, Jeannette

    Introduction Dental care has become a challenge for healthcare associated infection prevention programs, since the environment, within other factors, plays an important role in the transmission chain. Materials and Methods An intervention program was designed for the Dental Unit of Hospital Militar de Santiago, between years 2014 and 2015. The program contemplated 3 stages: diagnostic, intervention and evaluation stage. Objective To improve the safety of critical surfaces involved in dental healthcare. Results During the diagnostic stage, the cleaning and disinfection process was found to be deficient. The most contaminated critical surface was the instrument holder unit, then the clean area and lamp handle. The surfaces that significantly reduced their contamination, after the intervention, were the clean area and the instrument carrier unit. Conclusion Training in the processes of cleaning and disinfecting surfaces and dental equipment is one of the cost-effective strategies in preventing healthcare-associated infections (HCAI), with simple and easy-to-apply methods.

  5. Manipulating surface diffusion and elastic interactions to obtain quantum dot multilayer arrangements over different length scales

    Energy Technology Data Exchange (ETDEWEB)

    Placidi, E., E-mail: ernesto.placidi@ism.cnr.it; Arciprete, F. [Istituto di Struttura della Materia, CNR, Via del Fosso del Cavaliere 100, 00133 Rome (Italy); Università di Roma “Tor Vergata”, Dipartimento di Fisica, via della Ricerca Scientifica 1, 00133 Rome (Italy); Latini, V.; Latini, S.; Patella, F. [Università di Roma “Tor Vergata”, Dipartimento di Fisica, via della Ricerca Scientifica 1, 00133 Rome (Italy); Magri, R. [Dipartimento di Scienze Fisiche, Informatiche e Matematiche (FIM), Università di Modena e Reggio Emilia, and Centro S3 CNR-Istituto Nanoscienze, Via Campi 213/A, 4100 Modena (Italy); Scuderi, M.; Nicotra, G. [CNR-IMM, Strada VIII, 5, 95121 Catania (Italy)

    2014-09-15

    An innovative multilayer growth of InAs quantum dots on GaAs(100) is demonstrated to lead to self-aggregation of correlated quantum dot chains over mesoscopic distances. The fundamental idea is that at critical growth conditions is possible to drive the dot nucleation only at precise locations corresponding to the local minima of the Indium chemical potential. Differently from the known dot multilayers, where nucleation of new dots on top of the buried ones is driven by the surface strain originating from the dots below, here the spatial correlations and nucleation of additional dots are mostly dictated by a self-engineering of the surface occurring during the growth, close to the critical conditions for dot formation under the fixed oblique direction of the incoming As flux, that drives the In surface diffusion.

  6. Ice nucleation activity of polysaccharides

    Science.gov (United States)

    Bichler, Magdalena; Felgitsch, Laura; Haeusler, Thomas; Seidl-Seiboth, Verena; Grothe, Hinrich

    2015-04-01

    Heterogeneous ice nucleation is an important process in the atmosphere. It shows direct impact on our climate by triggering ice cloud formation and therefore it has much influence on the radiation balance of our planet (Lohmann et al. 2002; Mishchenko et al. 1996). The process itself is not completely understood so far and many questions remain open. Different substances have been found to exhibit ice nucleation activity (INA). Due to their vast differences in chemistry and morphology it is difficult to predict what substance will make good ice nuclei and which will not. Hence simple model substances must be found and be tested regarding INA. Our work aims at gaining to a deeper understanding of heterogeneous ice nucleation. We intend to find some reference standards with defined chemistry, which may explain the mechanisms of heterogeneous ice nucleation. A particular focus lies on biological carbohydrates in regards to their INA. Biological carbohydrates are widely distributed in all kingdoms of life. Mostly they are specific for certain organisms and have well defined purposes, e.g. structural polysaccharides like chitin (in fungi and insects) and pectin (in plants), which has also water-binding properties. Since they are widely distributed throughout our biosphere and mostly safe to use for nutrition purposes, they are well studied and easily accessible, rendering them ideal candidates as proxies. In our experiments we examined various carbohydrates, like the already mentioned chitin and pectin, as well as their chemical modifications. Lohmann U.; A Glaciation Indirect Aerosol Effect Caused by Soot Aerosols; J. Geoph. Res.; Vol. 24 No.4; pp 11-1 - 11-4; 2002 Mishchenko M.I., Rossow W.B., Macke A., Lacis A. A.; Sensitivity of Cirrus Cloud Albedo, Bidirectional Reflectance and Optical Thickness Retrieval Accuracy to Ice Particle Shape, J. Geoph. Res.; Vol. 101, No D12; pp. 16,973 - 16,985; 1996

  7. Surface wettability effects on critical heat flux of boiling heat transfer using nanoparticle coatings

    KAUST Repository

    Hsu, Chin-Chi; Chen, Ping-Hei

    2012-01-01

    This study investigates the effects of surface wettability on pool boiling heat transfer. Nano-silica particle coatings were used to vary the wettability of the copper surface from superhydrophilic to superhydrophobic by modifying surface topography

  8. Evaporation rate of nucleating clusters.

    Science.gov (United States)

    Zapadinsky, Evgeni

    2011-11-21

    The Becker-Döring kinetic scheme is the most frequently used approach to vapor liquid nucleation. In the present study it has been extended so that master equations for all cluster configurations are included into consideration. In the Becker-Döring kinetic scheme the nucleation rate is calculated through comparison of the balanced steady state and unbalanced steady state solutions of the set of kinetic equations. It is usually assumed that the balanced steady state produces equilibrium cluster distribution, and the evaporation rates are identical in the balanced and unbalanced steady state cases. In the present study we have shown that the evaporation rates are not identical in the equilibrium and unbalanced steady state cases. The evaporation rate depends on the number of clusters at the limit of the cluster definition. We have shown that the ratio of the number of n-clusters at the limit of the cluster definition to the total number of n-clusters is different in equilibrium and unbalanced steady state cases. This causes difference in evaporation rates for these cases and results in a correction factor to the nucleation rate. According to rough estimation it is 10(-1) by the order of magnitude and can be lower if carrier gas effectively equilibrates the clusters. The developed approach allows one to refine the correction factor with Monte Carlo and molecular dynamic simulations.

  9. Nucleation and Crystal Growth in the Formation of Hierarchical Three-Dimensional Nanoarchitecture

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xudong [Univ. of Wisconsin, Madison, WI (United States)

    2018-02-02

    project brings a new level of transformative knowledge on nucleation and crystal growth in the SPCVD NR growth processes. Specifically, quantification of the activation energy landscape guided by the OL law will allow us to establish a critical knowledge base of nucleation kinetics for SPCVD synthesis of NR branches on different material surfaces. Studying the OA kinetics will establish a transformative knowledge base to support this new crystal growth mechanism that can be applied to many functional material systems. This research will pave the road toward a capable and versatile synthesis technology for creating 3D hierarchical mesoscale structures.

  10. Bubble nucleation in simple and molecular liquids via the largest spherical cavity method

    International Nuclear Information System (INIS)

    Gonzalez, Miguel A.; Abascal, José L. F.; Valeriani, Chantal; Bresme, Fernando

    2015-01-01

    In this work, we propose a methodology to compute bubble nucleation free energy barriers using trajectories generated via molecular dynamics simulations. We follow the bubble nucleation process by means of a local order parameter, defined by the volume of the largest spherical cavity (LSC) formed in the nucleating trajectories. This order parameter simplifies considerably the monitoring of the nucleation events, as compared with the previous approaches which require ad hoc criteria to classify the atoms and molecules as liquid or vapor. The combination of the LSC and the mean first passage time technique can then be used to obtain the free energy curves. Upon computation of the cavity distribution function the nucleation rate and free-energy barrier can then be computed. We test our method against recent computations of bubble nucleation in simple liquids and water at negative pressures. We obtain free-energy barriers in good agreement with the previous works. The LSC method provides a versatile and computationally efficient route to estimate the volume of critical bubbles the nucleation rate and to compute bubble nucleation free-energies in both simple and molecular liquids

  11. Enhancement of the droplet nucleation in a dense supersaturated Lennard-Jones vapor

    Energy Technology Data Exchange (ETDEWEB)

    Zhukhovitskii, D. I., E-mail: dmr@ihed.ras.ru [Joint Institute of High Temperatures, Russian Academy of Sciences, Izhorskaya 13, Bd. 2, 125412 Moscow (Russian Federation)

    2016-05-14

    The vapor–liquid nucleation in a dense Lennard-Jones system is studied analytically and numerically. A solution of the nucleation kinetic equations, which includes the elementary processes of condensation/evaporation involving the lightest clusters, is obtained, and the nucleation rate is calculated. Based on the equation of state for the cluster vapor, the pre-exponential factor is obtained. The latter diverges as a spinodal is reached, which results in the nucleation enhancement. The work of critical cluster formation is calculated using the previously developed two-parameter model (TPM) of small clusters. A simple expression for the nucleation rate is deduced and it is shown that the work of cluster formation is reduced for a dense vapor. This results in the nucleation enhancement as well. To verify the TPM, a simulation is performed that mimics a steady-state nucleation experiments in the thermal diffusion cloud chamber. The nucleating vapor with and without a carrier gas is simulated using two different thermostats for the monomers and clusters. The TPM proves to match the simulation results of this work and of other studies.

  12. Ice nucleation efficiency of AgI: review and new insights

    Directory of Open Access Journals (Sweden)

    C. Marcolli

    2016-07-01

    Full Text Available AgI is one of the best-investigated ice-nucleating substances. It has relevance for the atmosphere since it is used for glaciogenic cloud seeding. Theoretical and experimental studies over the last 60 years provide a complex picture of silver iodide as an ice-nucleating agent with conflicting and inconsistent results. This review compares experimental ice nucleation studies in order to analyze the factors that influence the ice nucleation ability of AgI. The following picture emerges from this analysis: the ice nucleation ability of AgI seems to be enhanced when the AgI particle is on the surface of a droplet, which is indeed the position that a particle takes when it can freely move in a droplet. The ice nucleation by particles with surfaces exposed to air depends on water adsorption. AgI surfaces seem to be most efficient at nucleating ice when they are exposed to relative humidity at or even above water saturation. For AgI particles that are completely immersed in water, the freezing temperature increases with increasing AgI surface area. Higher threshold freezing temperatures seem to correlate with improved lattice matches as can be seen for AgI–AgCl solid solutions and 3AgI·NH4I·6H2O, which have slightly better lattice matches with ice than AgI and also higher threshold freezing temperatures. However, the effect of a good lattice match is annihilated when the surfaces have charges. Also, the ice nucleation ability seems to decrease during dissolution of AgI particles. This introduces an additional history and time dependence for ice nucleation in cloud chambers with short residence times.

  13. Critical surface of the quenched bond-diluted cubic model in self-dual lattice: renormalisation group approach

    International Nuclear Information System (INIS)

    Silva, E.P. da; Tsallis, C.

    1991-01-01

    We propose a quite simple real space renormalisation group which enables us to calculate (for the first time as far as we know, and presumably with high precision) the critical surface of the quenched bond-diluted discrete N-vector ferromagnet. (author)

  14. Crystal nucleation in binary hard-sphere mixtures: the effect of order parameter on the cluster composition

    NARCIS (Netherlands)

    Ni, R.; Smallenburg, F.; Filion, L.C.; Dijkstra, M.

    2011-01-01

    We study crystal nucleation in a binary mixture of hard spheres and investigate the composition and size of the (non)critical clusters using Monte Carlo simulations. In order to study nucleation of a crystal phase in computer simulations, a one-dimensional order parameter is usually defined to

  15. Heterogeneous Nucleation of Colloidal Crystals on a Glass Substrate with Depletion Attraction.

    Science.gov (United States)

    Guo, Suxia; Nozawa, Jun; Hu, Sumeng; Koizumi, Haruhiko; Okada, Junpei; Uda, Satoshi

    2017-10-10

    The heterogeneous nucleation of colloidal crystals with attractive interactions has been investigated via in situ observations. We have found two types of nucleation processes: a cluster that overcomes the critical size for nucleation with a monolayer, and a method that occurs with two layers. The Gibbs free energy changes (ΔG) for these two types of nucleation processes are evaluated by taking into account the effect of various interfacial energies. In contrast to homogeneous nucleation, the change in interfacial free energy, Δσ, is generated for colloidal nucleation on a foreign substrate such as a cover glass in the present study. The Δσ and step free energy of the first layer, γ 1 , are obtained experimentally based on the equation deduced from classical nucleation theory (CNT). It is concluded that the ΔG of q-2D nuclei is smaller than of monolayer nuclei, provided that the same number of particles are used, which explains the experimental result that the critical size in q-2D nuclei is smaller than that in monolayer nuclei.

  16. The laminar flow tube reactor as a quantitative tool for nucleation studies: Experimental results and theoretical analysis of homogeneous nucleation of dibutylphthalate

    International Nuclear Information System (INIS)

    Mikheev, Vladimir B.; Laulainen, Nels S.; Barlow, Stephan E.; Knott, Michael; Ford, Ian J.

    2000-01-01

    A laminar flow tube reactor was designed and constructed to provide an accurate, quantitative measurement of a nucleation rate as a function of supersaturation and temperature. Measurements of nucleation of a supersaturated vapor of dibutylphthalate have been made for the temperature range from -30.3 to +19.1 degree sign C. A thorough analysis of the possible sources of experimental uncertainties (such as defining the correct value of the initial vapor concentration, temperature boundary conditions on the reactor walls, accuracy of the calculations of the thermodynamic parameters of the nucleation zone, and particle concentration measurement) is given. Both isothermal and the isobaric nucleation rates were measured. The experimental data obtained were compared with the measurements of other experimental groups and with theoretical predictions made on the basis of the self-consistency correction nucleation theory. Theoretical analysis, based on the first and the second nucleation theorems, is also presented. The critical cluster size and the excess of internal energy of the critical cluster are obtained. (c) 2000 American Institute of Physics

  17. Nanometer-scale mapping of irreversible electrochemical nucleation processes on solid Li-ion electrolytes

    Science.gov (United States)

    Kumar, Amit; Arruda, Thomas M.; Tselev, Alexander; Ivanov, Ilia N.; Lawton, Jamie S.; Zawodzinski, Thomas A.; Butyaev, Oleg; Zayats, Sergey; Jesse, Stephen; Kalinin, Sergei V.

    2013-01-01

    Electrochemical processes associated with changes in structure, connectivity or composition typically proceed via new phase nucleation with subsequent growth of nuclei. Understanding and controlling reactions requires the elucidation and control of nucleation mechanisms. However, factors controlling nucleation kinetics, including the interplay between local mechanical conditions, microstructure and local ionic profile remain inaccessible. Furthermore, the tendency of current probing techniques to interfere with the original microstructure prevents a systematic evaluation of the correlation between the microstructure and local electrochemical reactivity. In this work, the spatial variability of irreversible nucleation processes of Li on a Li-ion conductive glass-ceramics surface is studied with ~30 nm resolution. An increased nucleation rate at the boundaries between the crystalline AlPO4 phase and amorphous matrix is observed and attributed to Li segregation. This study opens a pathway for probing mechanisms at the level of single structural defects and elucidation of electrochemical activities in nanoscale volumes. PMID:23563856

  18. A note on the nucleation with multiple steps: parallel and series nucleation.

    Science.gov (United States)

    Iwamatsu, Masao

    2012-01-28

    Parallel and series nucleation are the basic elements of the complex nucleation process when two saddle points exist on the free-energy landscape. It is pointed out that the nucleation rates follow formulas similar to those of parallel and series connection of resistors or conductors in an electric circuit. Necessary formulas to calculate individual nucleation rates at the saddle points and the total nucleation rate are summarized, and the extension to the more complex nucleation process is suggested. © 2012 American Institute of Physics

  19. The enhancement and suppression of immersion mode heterogeneous ice-nucleation by solutes.

    Science.gov (United States)

    Whale, Thomas F; Holden, Mark A; Wilson, Theodore W; O'Sullivan, Daniel; Murray, Benjamin J

    2018-05-07

    Heterogeneous nucleation of ice from aqueous solutions is an important yet poorly understood process in multiple fields, not least the atmospheric sciences where it impacts the formation and properties of clouds. In the atmosphere ice-nucleating particles are usually, if not always, mixed with soluble material. However, the impact of this soluble material on ice nucleation is poorly understood. In the atmospheric community the current paradigm for freezing under mixed phase cloud conditions is that dilute solutions will not influence heterogeneous freezing. By testing combinations of nucleators and solute molecules we have demonstrated that 0.015 M solutions (predicted melting point depression nucleate ice up to around 3 °C warmer than they do in pure water. In contrast, dilute solutions of certain alkali metal halides can dramatically depress freezing points for the same nucleators. At 0.015 M, solutes can enhance or deactivate the ice-nucleating ability of a microcline feldspar across a range of more than 10 °C, which corresponds to a change in active site density of more than a factor of 10 5 . This concentration was chosen for a survey across multiple solutes-nucleant combinations since it had a minimal colligative impact on freezing and is relevant for activating cloud droplets. Other nucleators, for instance a silica gel, are unaffected by these 'solute effects', to within experimental uncertainty. This split in response to the presence of solutes indicates that different mechanisms of ice nucleation occur on the different nucleators or that surface modification of relevance to ice nucleation proceeds in different ways for different nucleators. These solute effects on immersion mode ice nucleation may be of importance in the atmosphere as sea salt and ammonium sulphate are common cloud condensation nuclei (CCN) for cloud droplets and are internally mixed with ice-nucleating particles in mixed-phase clouds. In addition, we propose a pathway dependence where

  20. Heterogeneous Ice Nucleation Ability of NaCl and Sea Salt Aerosol Particles at Cirrus Temperatures

    Science.gov (United States)

    Wagner, Robert; Kaufmann, Julia; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Ullrich, Romy; Leisner, Thomas

    2018-03-01

    In situ measurements of the composition of heterogeneous cirrus ice cloud residuals have indicated a substantial contribution of sea salt in sampling regions above the ocean. We have investigated the heterogeneous ice nucleation ability of sodium chloride (NaCl) and sea salt aerosol (SSA) particles at cirrus cloud temperatures between 235 and 200 K in the Aerosol Interaction and Dynamics in the Atmosphere aerosol and cloud chamber. Effloresced NaCl particles were found to act as ice nucleating particles in the deposition nucleation mode at temperatures below about 225 K, with freezing onsets in terms of the ice saturation ratio, Sice, between 1.28 and 1.40. Above 225 K, the crystalline NaCl particles deliquesced and nucleated ice homogeneously. The heterogeneous ice nucleation efficiency was rather similar for the two crystalline forms of NaCl (anhydrous NaCl and NaCl dihydrate). Mixed-phase (solid/liquid) SSA particles were found to act as ice nucleating particles in the immersion freezing mode at temperatures below about 220 K, with freezing onsets in terms of Sice between 1.24 and 1.42. Above 220 K, the SSA particles fully deliquesced and nucleated ice homogeneously. Ice nucleation active surface site densities of the SSA particles were found to be in the range between 1.0 · 1010 and 1.0 · 1011 m-2 at T < 220 K. These values are of the same order of magnitude as ice nucleation active surface site densities recently determined for desert dust, suggesting a potential contribution of SSA particles to low-temperature heterogeneous ice nucleation in the atmosphere.

  1. Pulverization provides a mechanism for the nucleation of earthquakes at low stress on strong faults

    Science.gov (United States)

    Felzer, Karen R.

    2014-01-01

    An earthquake occurs when rock that has been deformed under stress rebounds elastically along a fault plane (Gilbert, 1884; Reid, 1911), radiating seismic waves through the surrounding earth. Rupture along the entire fault surface does not spontaneously occur at the same time, however. Rather the rupture starts in one tiny area, the rupture nucleation zone, and spreads sequentially along the fault. Like a row of dominoes, one bit of rebounding fault triggers the next. This triggering is understood to occur because of the large dynamic stresses at the tip of an active seismic rupture. The importance of these crack tip stresses is a central question in earthquake physics. The crack tip stresses are minimally important, for example, in the time predictable earthquake model (Shimazaki and Nakata, 1980), which holds that prior to rupture stresses are comparable to fault strength in many locations on the future rupture plane, with bits of variation. The stress/strength ratio is highest at some point, which is where the earthquake nucleates. This model does not require any special conditions or processes at the nucleation site; the whole fault is essentially ready for rupture at the same time. The fault tip stresses ensure that the rupture occurs as a single rapid earthquake, but the fact that fault tip stresses are high is not particularly relevant since the stress at most points does not need to be raised by much. Under this model it should technically be possible to forecast earthquakes based on the stress-renewaql concept, or estimates of when the fault as a whole will reach the critical stress level, a practice used in official hazard mapping (Field, 2008). This model also indicates that physical precursors may be present and detectable, since stresses are unusually high over a significant area before a large earthquake.

  2. Effect of Controlled Ice Nucleation on Stability of Lactate Dehydrogenase During Freeze-Drying.

    Science.gov (United States)

    Fang, Rui; Tanaka, Kazunari; Mudhivarthi, Vamsi; Bogner, Robin H; Pikal, Michael J

    2018-03-01

    Several controlled ice nucleation techniques have been developed to increase the efficiency of the freeze-drying process as well as to improve the quality of pharmaceutical products. Owing to the reduction in ice surface area, these techniques have the potential to reduce the degradation of proteins labile during freezing. The objective of this study was to evaluate the effect of ice nucleation temperature on the in-process stability of lactate dehydrogenase (LDH). LDH in potassium phosphate buffer was nucleated at -4°C, -8°C, and -12°C using ControLyo™ or allowed to nucleate spontaneously. Both the enzymatic activity and tetramer recovery after freeze-thawing linearly correlated with product ice nucleation temperature (n = 24). Controlled nucleation also significantly improved batch homogeneity as reflected by reduced inter-vial variation in activity and tetramer recovery. With the correlation established in the laboratory, the degradation of protein in manufacturing arising from ice nucleation temperature differences can be quantitatively predicted. The results show that controlled nucleation reduced the degradation of LDH during the freezing process, but this does not necessarily translate to vastly superior stability during the entire freeze-drying process. The capability of improving batch homogeneity provides potential advantages in scaling-up from lab to manufacturing scale. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  3. The Observation of TGSCC Nucleation in α-Brass/NH3 System

    International Nuclear Information System (INIS)

    Kim, Joung Soo

    1991-01-01

    Transgranular stress corrosion cracking (TGSCC) of α-brass in cuprous ammoniacal solution was investigated to illustrate the nucleation (initiation) mechanism of TGSCC. The cuprous ammoniacal solution used tin this study is at equilibrium with Cu, which means no formation of oxide film on the specimen surface and no general corrosion occurring. TGSCC nucleation was observed to occur by localized preferential anodic corrosion along slip traces formed on the specimen surface during straining in solution. The orientation of crack surfaces formed by the nucleation and the propagation of TGSCC were different from each other: the former is {111} and the latter {110}. This represents that both events do not occur by the same mechanism. The observation of TGSCC nucleation in this investigation also shows that the thin film technique using TEM is not appropriate for a study on the propagation mechanism of TGSCC

  4. Assessment of Nucleation Site Density Models for CFD Simulations of Subcooled Flow Boiling

    International Nuclear Information System (INIS)

    Hoang, N. H.; Chu, I. C.; Euh, D. J.; Song, C. H.

    2015-01-01

    The framework of a CFD simulation of subcooled flow boiling basically includes a block of wall boiling models communicating with governing equations of a two-phase flow via parameters like temperature, rate of phasic change, etc. In the block of wall boiling models, a heat flux partitioning model, which describes how the heat is taken away from a heated surface, is combined with models quantifying boiling parameters, i.e. nucleation site density, and bubble departure diameter and frequency. It is realized that the nucleation site density is an important parameter for predicting the subcooled flow boiling. The number of nucleation sites per unit area decides the influence region of each heat transfer mechanism. The variation of the nucleation site density will mutually change the dynamics of vapor bubbles formed at these sites. In addition, the nucleation site density is needed as one initial and boundary condition to solve the interfacial area transport equation. A lot of effort has been devoted to mathematically formulate the nucleation site density. As a consequence, numerous correlations of the nucleation site density are available in the literature. These correlations are commonly quite different in their mathematical form as well as application range. Some correlations of the nucleation site density have been applied successfully to CFD simulations of several specific subcooled boiling flows, but in combination with different correlations of the bubble departure diameter and frequency. In addition, the values of the nucleation site density, and bubble departure diameter and frequency obtained from simulations for a same problem are relatively different, depending on which models are used, even when global characteristics, e.g., void fraction and mean bubble diameter, agree well with experimental values. It is realized that having a good CFD simulations of the subcooled flow boiling requires a detailed validations of all the models used. Owing to the importance

  5. Single-particle levitation system for automated study of homogeneous solute nucleation

    OpenAIRE

    Olsen, Adam P.; Flagan, Richard C.; Kornfield, Julia A.

    2006-01-01

    We present an instrument that addresses two critical requirements for quantitative measurements of the homogeneous crystal nucleation rate in supersaturated aqueous solution. First, the need to perform repeated measurements of nucleation incubation times is met by automating experiments to enable programmable cycling of thermodynamic conditions. Second, the need for precise and robust control of the chemical potential in supersaturated aqueous solution is met by implementing a novel technique...

  6. Optical Feather and Foil for Shape and Dynamic Load Sensing of Critical Flight Surfaces, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Future flight vehicles may comprise complex flight surfaces requiring coordinated in-situ sensing and actuation. Inspired by the complexity of the flight surfaces on...

  7. Nucleation in an ultra low ionization environment

    DEFF Research Database (Denmark)

    Pedersen, Jens Olaf Pepke; Enghoff, Martin Andreas Bødker; Paling, Sean

    Atmospheric ions can enhance the nucleation of aerosols, as has been established by experiments, observation, and theory. In the clean marine atmosphere ionization is mainly caused by cosmic rays which in turn are controlled by the activity of the Sun, thus providing a potential link between solar...... activity and climate. In order to understand the effect ions may have on the production of cloud condensation nuclei the overall contribution of ion induced nucleation to the global production of secondary aerosols must be determined. One issue with determining this contribution is that several mechanisms...... for nucleation exist and it can be difficult to determine the relative importance of the various mechanisms in a given nucleation event when both ion induced and electrically neutral nucleation mechanisms are at work at the same time. We have carried out nucleation experiments in the Boulby Underground...

  8. Effects of clustered nucleation on recrystallization

    DEFF Research Database (Denmark)

    Storm, Søren; Juul Jensen, Dorte

    2009-01-01

    Computer simulations are used to study effects of an experimentally determined 3D distribution of nucleation sites on the recrystallization kinetics and on the evolution of the recrystallized microstructure as compared to simulations with random nucleation. It is found that although...... the experimentally observed clustering is not very strong, it changes the kinetics and the recrystallized microstructural morphology plus leads to a recrystallized grain size distribution, which is significantly broadened compared to that of random nucleation simulations. (C) 2009 Published by Elsevier Ltd...

  9. A 2-D nucleation-growth model of spheroidal graphite

    International Nuclear Information System (INIS)

    Lacaze, Jacques; Bourdie, Jacques; Castro-Román, Manuel Jesus

    2017-01-01

    Analysis of recent experimental investigations, in particular by transmission electron microscopy, suggests spheroidal graphite grows by 2-D nucleation of new graphite layers at the outer surface of the nodules. These layers spread over the surface along the prismatic direction of graphite which is the energetically preferred growth direction of graphite when the apparent growth direction of the nodules is along the basal direction of graphite. 2-D nucleation-growth models first developed for precipitation of pure substances are then adapted to graphite growth from the liquid in spheroidal graphite cast irons. Lateral extension of the new graphite layers is controlled by carbon diffusion in the liquid. This allows describing quantitatively previous experimental results giving strong support to this approach.

  10. Structuring effects in binary nucleation : Molecular dynamics simulatons and coarse-grained nucleation theory

    NARCIS (Netherlands)

    Braun, S.; Kraska, T.; Kalikmanov, V.I.

    2013-01-01

    Binary clusters formed by vapor-liquid nucleation are frequently nonhomogeneous objects in which components are not well mixed. The structure of a cluster plays an important role in nucleation and cluster growth. We demonstrate structuring effects by studying high-pressure nucleation and cluster

  11. Nucleation speed limit on remote fluid induced earthquakes

    Science.gov (United States)

    Parsons, Thomas E.; Akinci, Aybige; Malignini, Luca

    2017-01-01

    Earthquakes triggered by other remote seismic events are explained as a response to long-traveling seismic waves that temporarily stress the crust. However, delays of hours or days after seismic waves pass through are reported by several studies, which are difficult to reconcile with the transient stresses imparted by seismic waves. We show that these delays are proportional to magnitude and that nucleation times are best fit to a fluid diffusion process if the governing rupture process involves unlocking a magnitude-dependent critical nucleation zone. It is well established that distant earthquakes can strongly affect the pressure and distribution of crustal pore fluids. Earth’s crust contains hydraulically isolated, pressurized compartments in which fluids are contained within low-permeability walls. We know that strong shaking induced by seismic waves from large earthquakes can change the permeability of rocks. Thus, the boundary of a pressurized compartment may see its permeability rise. Previously confined, overpressurized pore fluids may then diffuse away, infiltrate faults, decrease their strength, and induce earthquakes. Magnitude-dependent delays and critical nucleation zone conclusions can also be applied to human-induced earthquakes.

  12. Nucleation speed limit on remote fluid-induced earthquakes

    Science.gov (United States)

    Parsons, Tom; Malagnini, Luca; Akinci, Aybige

    2017-01-01

    Earthquakes triggered by other remote seismic events are explained as a response to long-traveling seismic waves that temporarily stress the crust. However, delays of hours or days after seismic waves pass through are reported by several studies, which are difficult to reconcile with the transient stresses imparted by seismic waves. We show that these delays are proportional to magnitude and that nucleation times are best fit to a fluid diffusion process if the governing rupture process involves unlocking a magnitude-dependent critical nucleation zone. It is well established that distant earthquakes can strongly affect the pressure and distribution of crustal pore fluids. Earth’s crust contains hydraulically isolated, pressurized compartments in which fluids are contained within low-permeability walls. We know that strong shaking induced by seismic waves from large earthquakes can change the permeability of rocks. Thus, the boundary of a pressurized compartment may see its permeability rise. Previously confined, overpressurized pore fluids may then diffuse away, infiltrate faults, decrease their strength, and induce earthquakes. Magnitude-dependent delays and critical nucleation zone conclusions can also be applied to human-induced earthquakes. PMID:28845448

  13. Nucleation and growth kinetics of zirconium hydroxide by precipitation with ammonium hydroxide

    International Nuclear Information System (INIS)

    Carleson, T.E.; Chipman, N.A.

    1987-01-01

    The results of a study of the nucleation and growth kinetics of the precipitation of zirconium hydroxide from the reaction of hexafluorozirconate solution with ammonium hydroxide are reported. The McCabe linear growth rate model was used to correlate the results. The growth rate decreased with residence time and supersaturation for studies with 7 residence times (3.5 - 90 minutes and two supersaturation ratios (0.03 - 0.04, and 0.4). The nucleation rate increased with residence time and supersaturation. A negative kinetic order of nucleation was observed that may be due to the inhibition of particle growth by adsorption of reacting species on the crystal surfaces

  14. Is there an association between airborne and surface microbes in the critical care environment?

    Science.gov (United States)

    Smith, J; Adams, C E; King, M F; Noakes, C J; Robertson, C; Dancer, S J

    2018-04-09

    There are few data and no accepted standards for air quality in the intensive care unit (ICU). Any relationship between airborne pathogens and hospital-acquired infection (HAI) risk in the ICU remains unknown. First, to correlate environmental contamination of air and surfaces in the ICU; second, to examine any association between environmental contamination and ICU-acquired staphylococcal infection. Patients, air, and surfaces were screened on 10 sampling days in a mechanically ventilated 10-bed ICU for a 10-month period. Near-patient hand-touch sites (N = 500) and air (N = 80) were screened for total colony count and Staphylococcus aureus. Air counts were compared with surface counts according to proposed standards for air and surface bioburden. Patients were monitored for ICU-acquired staphylococcal infection throughout. Overall, 235 of 500 (47%) surfaces failed the standard for aerobic counts (≤2.5 cfu/cm 2 ). Half of passive air samples (20/40: 50%) failed the 'index of microbial air' contamination (2 cfu/9 cm plate/h), and 15/40 (37.5%) active air samples failed the clean air standard (<10 cfu/m 3 ). Settle plate data were closer to the pass/fail proportion from surfaces and provided the best agreement between air parameters and surfaces when evaluating surface benchmark values of 0-20 cfu/cm 2 . The surface standard most likely to reflect hygiene pass/fail results compared with air was 5 cfu/cm 2 . Rates of ICU-acquired staphylococcal infection were associated with surface counts per bed during 72h encompassing sampling days (P = 0.012). Passive air sampling provides quantitative data analogous to that obtained from surfaces. Settle plates could serve as a proxy for routine environmental screening to determine the infection risk in ICU. Copyright © 2018 The Healthcare Infection Society. Published by Elsevier Ltd. All rights reserved.

  15. Heterogeneous nucleation in multi-component vapor on a partially wettable charged conducting particle. II. The generalized Laplace, Gibbs-Kelvin, and Young equations and application to nucleation.

    Science.gov (United States)

    Noppel, M; Vehkamäki, H; Winkler, P M; Kulmala, M; Wagner, P E

    2013-10-07

    Based on the results of a previous paper [M. Noppel, H. Vehkamäki, P. M. Winkler, M. Kulmala, and P. E. Wagner, J. Chem. Phys. 139, 134107 (2013)], we derive a thermodynamically consistent expression for reversible or minimal work needed to form a dielectric liquid nucleus of a new phase on a charged insoluble conducting sphere within a uniform macroscopic one- or multicomponent mother phase. The currently available model for ion-induced nucleation assumes complete spherical symmetry of the system, implying that the seed ion is immediately surrounded by the condensing liquid from all sides. We take a step further and treat more realistic geometries, where a cap-shaped liquid cluster forms on the surface of the seed particle. We derive the equilibrium conditions for such a cluster. The equalities of chemical potentials of each species between the nucleus and the vapor represent the conditions of chemical equilibrium. The generalized Young equation that relates contact angle with surface tensions, surface excess polarizations, and line tension, also containing the electrical contribution from triple line excess polarization, expresses the condition of thermodynamic equilibrium at three-phase contact line. The generalized Laplace equation gives the condition of mechanical equilibrium at vapor-liquid dividing surface: it relates generalized pressures in neighboring bulk phases at an interface with surface tension, excess surface polarization, and dielectric displacements in neighboring phases with two principal radii of surface curvature and curvatures of equipotential surfaces in neighboring phases at that point. We also re-express the generalized Laplace equation as a partial differential equation, which, along with electrostatic Laplace equations for bulk phases, determines the shape of a nucleus. We derive expressions that are suitable for calculations of the size and composition of a critical nucleus (generalized version of the classical Kelvin-Thomson equation).

  16. Measurements of the surface impedance and the ac critical field of superconducting thin tin films at 10 GHz

    International Nuclear Information System (INIS)

    Spencer, G.L.

    1976-01-01

    The surface impedances and ac critical fields of superconducting thin tin films were studied. These experiments were performed using a superconducting frequency stabilized microwave cavity of high Q. Measurements of the power losses in the cavity and the center frequency of the cavity were used to determine the surface impedance and the critical field of a thin film sample placed in the cavity. In this case a theoretical treatment based on a model proposed by I.O. Kulik was used to fit the data. The general agreement between the modified Kulik treatment and the data, obtained in this experiment, was substantial. The second method was to modify the thin film data to correspond to a bulk situation. This modification was accomplished by taking into account the measuring techniques used and the geometric consideration inherent in the experiment. The comparison between the modified experimental data and calculations obtained from the Mattis-Bardeen bulk model was generally very good. One aspect of the results which was not explained was the presence of a slight increase in the surface resistance in the vicinity of the transition temperature. The critical field measurements were compared to the (1 - (T/T/sub c/)/sup 1/2) dependence predicted by Bardeen. If it is assumed that substantial microwave heating took place in the sample near T/sub c/, then remarkable agreement with the Bardeen model can be reached

  17. Theories of nucleation and growth of bubbles and voids

    International Nuclear Information System (INIS)

    Speight, M.V.

    1977-01-01

    The application of classical nucleation theory to the formation of voids from a supersaturated concentration of vacancies is reviewed. The effect of a dissolved concentration of barley soluble gas on the nucleation rate of voids is emphasized. Exposure to a damaging flux of irradiation is the most effective way of introducing a vacancy supersaturation, but interstitials are produced at an equal rate. The concentration of interstitials inhibits the nucleation of voids which can occur only in the presence of dislocations since they preferentially absorb interstitials. It is well known that a definite value of internal gas pressure is necessary to stabilize a bubble so that it shows no tendencies to either shrink or grow. The arguments are reviewed which conclude that this pressure is determined by the specific surface free energy of the solid rather than the surface tension. While the former property refers to the energy necessary to create new surface, the latter is a measure of the work done in elastically stretching a a given surface. The presence of an equilibrium gas bubble leaves the stresses in the surrounding solid unperturbed only when surface energy and surface tension are numerically equal. A bubble with internal pressure greater than the restraint offered by surface energy tends to grow to relieve the excess pressure. The mechanism of growth can involve the migration of vacancies from remote sources to the bubble surface or the plastic straining of the solid surrounding the bubble. The kinetics of both mechanisms are developed and compared. The theory of growth of grain-boundary voids by vacancy condensation under an applied stress is also considered. (author)

  18. Nucleation at high pressure I: Theoretical considerations.

    NARCIS (Netherlands)

    Luijten, C.C.M.; Dongen, van M.E.H.

    1999-01-01

    A theoretical approach is presented that accounts for the influence of high pressure background gases on the vapor-to-liquid nucleation process. The key idea is to treat the carrier gas pressure as a perturbation parameter that modifies the properties of the nucleating substance. Two important

  19. Tuning Ice Nucleation with Supercharged Polypeptides

    NARCIS (Netherlands)

    Yang, Huige; Ma, Chao; Li, Kaiyong; Liu, Kai; Loznik, Mark; Teeuwen, Rosalie; van Hest, Jan C. M.; Zhou, Xin; Herrmann, Andreas; Wang, Jianjun

    2016-01-01

    Supercharged unfolded polypeptides (SUPs) are exploited for controlling ice nucleation via tuning the nature of charge and charge density of SUPs. The results show that positively charged SUPs facilitate ice nucleation, while negatively charged ones suppress it. Moreover, the charge density of the

  20. Critical and Creative Reflective Inquiry: Surfacing Narratives to Enable Learning and Inform Action

    Science.gov (United States)

    Cardiff, Shaun

    2012-01-01

    Narratives are being increasingly used in nursing and action research. In this participatory action research study, nurse leaders of an acute care of the older person unit collectively, critically and creatively reflected on lived experiences in order to explore the concept of person-centred leadership within their own practice. This paper…

  1. Chemically assisted crack nucleation in zircaloy

    International Nuclear Information System (INIS)

    Williford, R.E.

    1985-01-01

    Stress corrosion cracking models (proposed to explain fuel rod failures) generally address crack propagation and cladding rupture, but frequently neglect the necessary nucleation stage for microcracks small enough to violate fracture mechanics continuum requirements. Intergranular microcrack nucleation was modeled with diffusion-controlled grain-boundary cavitation concepts, including the effects of metal embrittlement by iodine species. Computed microcrack nucleation times and strains agree with experimental observation, but the predicted grain-boundary cavities are so small that detection may be difficult. Without a protective oxide film intergranular microcracks can nucleate within 30 s at even low stresses when the embrittler concentration exceeds a threshold value. Indications were found that intergranular microcrack nucleation may be caused by combined corrosive and embrittlement phenomena. (orig.)

  2. Atomic Scale Imaging of Nucleation and Growth Trajectories of an Interfacial Bismuth Nanodroplet.

    Science.gov (United States)

    Li, Yingxuan; Bunes, Benjamin R; Zang, Ling; Zhao, Jie; Li, Yan; Zhu, Yunqing; Wang, Chuanyi

    2016-02-23

    Because of the lack of experimental evidence, much confusion still exists on the nucleation and growth dynamics of a nanostructure, particularly of metal. The situation is even worse for nanodroplets because it is more difficult to induce the formation of a nanodroplet while imaging the dynamic process with atomic resolution. Here, taking advantage of an electron beam to induce the growth of Bi nanodroplets on a SrBi2Ta2O9 platelet under a high resolution transmission electron microscope (HRTEM), we directly observed the detailed growth pathways of Bi nanodroplets from the earliest stage of nucleation that were previously inaccessible. Atomic scale imaging reveals that the dynamics of nucleation involves a much more complex trajectory than previously predicted based on classical nucleation theory (CNT). The monatomic Bi layer was first formed in the nucleation process, which induced the formation of the prenucleated clusters. Following that, critical nuclei for the nanodroplets formed both directly from the addition of atoms to the prenucleated clusters by the classical growth process and indirectly through transformation of an intermediate liquid film based on the Stranski-Krastanov growth mode, in which the liquid film was induced by the self-assembly of the prenucleated clusters. Finally, the growth of the Bi nanodroplets advanced through the classical pathway and sudden droplet coalescence. This study allows us to visualize the critical steps in the nucleation process of an interfacial nanodroplet, which suggests a revision of the perspective of CNT.

  3. The Stress-Dependent Activation Parameters for Dislocation Nucleation in Molybdenum Nanoparticles.

    Science.gov (United States)

    Chachamovitz, Doron; Mordehai, Dan

    2018-03-02

    Many specimens at the nanoscale are pristine of dislocations, line defects which are the main carriers of plasticity. As a result, they exhibit extremely high strengths which are dislocation-nucleation controlled. Since nucleation is a thermally activated process, it is essential to quantify the stress-dependent activation parameters for dislocation nucleation in order to study the strength of specimens at the nanoscale and its distribution. In this work, we calculate the strength of Mo nanoparticles in molecular dynamics simulations and we propose a method to extract the activation free-energy barrier for dislocation nucleation from the distribution of the results. We show that by deforming the nanoparticles at a constant strain rate, their strength distribution can be approximated by a normal distribution, from which the activation volumes at different stresses and temperatures are calculated directly. We found that the activation energy dependency on the stress near spontaneous nucleation conditions obeys a power-law with a critical exponent of approximately 3/2, which is in accordance with critical exponents found in other thermally activated processes but never for dislocation nucleation. Additionally, significant activation entropies were calculated. Finally, we generalize the approach to calculate the activation parameters for other driving-force dependent thermally activated processes.

  4. Saturation and nucleation in hot nuclear systems

    International Nuclear Information System (INIS)

    Deangelis, A.R.

    1990-07-01

    We investigate nuclear fragmentation in a supersaturated system using classical nucleation theory. This allows us to go outside the normally applied constraint of chemical equilibrium. The system is governed by a virial equation of state, which we use to find an expression for the density as a function of pressure and temperature. The evolution of the system is discussed in terms of the phase diagram. Corrections are included to account for the droplet surface and all charges contained in the system. Using this model we investigate and discuss the effects of temperature and saturation, and compare the results to those of other models of fragmentation. We also discuss the limiting temperatures of the system for the cases with and without chemical equilibrium. We find that large nuclei will be formed in saturated systems, even above the limiting temperature as previously defined. We also find that saturation and temperature dominate surface and Coulomb effects. The effects are quite large, thus even a qualitative inspection of the yields may give an indication of the conditions during fragmentation

  5. Nucleation and growth of cadherin adhesions

    International Nuclear Information System (INIS)

    Lambert, Mireille; Thoumine, Olivier; Brevier, Julien; Choquet, Daniel; Riveline, Daniel; Mege, Rene-Marc

    2007-01-01

    Cell-cell contact formation relies on the recruitment of cadherin molecules and their anchoring to actin. However, the precise chronology of events from initial cadherin trans-interactions to adhesion strengthening is unclear, in part due to the lack of access to the distribution of cadherins within adhesion zones. Using N-cadherin expressing cells interacting with N-cadherin coated surfaces, we characterized the formation of cadherin adhesions at the ventral cell surface. TIRF and RIC microscopies revealed streak-like accumulations of cadherin along actin fibers. FRAP analysis indicated that engaged cadherins display a slow turnover at equilibrium, compatible with a continuous addition and removal of cadherin molecules within the adhesive contact. Association of cadherin cytoplasmic tail to actin as well as actin cables and myosin II activity are required for the formation and maintenance of cadherin adhesions. Using time lapse microscopy we deciphered how cadherin adhesions form and grow. As lamellipodia protrude, cadherin foci stochastically formed a few microns away from the cell margin. Neo-formed foci coalesced aligned and coalesced with preformed foci either by rearward sliding or gap filling to form cadherin adhesions. Foci experienced collapse at the rear of cadherin adhesions. Based on these results, we present a model for the nucleation, directional growth and shrinkage of cadherin adhesions

  6. A Scale-up Approach for Film Coating Process Based on Surface Roughness as the Critical Quality Attribute.

    Science.gov (United States)

    Yoshino, Hiroyuki; Hara, Yuko; Dohi, Masafumi; Yamashita, Kazunari; Hakomori, Tadashi; Kimura, Shin-Ichiro; Iwao, Yasunori; Itai, Shigeru

    2018-04-01

    Scale-up approaches for film coating process have been established for each type of film coating equipment from thermodynamic and mechanical analyses for several decades. The objective of the present study was to establish a versatile scale-up approach for film coating process applicable to commercial production that is based on critical quality attribute (CQA) using the Quality by Design (QbD) approach and is independent of the equipment used. Experiments on a pilot scale using the Design of Experiment (DoE) approach were performed to find a suitable CQA from surface roughness, contact angle, color difference, and coating film properties by terahertz spectroscopy. Surface roughness was determined to be a suitable CQA from a quantitative appearance evaluation. When surface roughness was fixed as the CQA, the water content of the film-coated tablets was determined to be the critical material attribute (CMA), a parameter that does not depend on scale or equipment. Finally, to verify the scale-up approach determined from the pilot scale, experiments on a commercial scale were performed. The good correlation between the surface roughness (CQA) and the water content (CMA) identified at the pilot scale was also retained at the commercial scale, indicating that our proposed method should be useful as a scale-up approach for film coating process.

  7. Emerging surface characterization techniques for carbon steel corrosion: a critical brief review

    OpenAIRE

    Dwivedi, D.; Lepkova, K.; Becker, T.

    2017-01-01

    Carbon steel is a preferred construction material in many industrial and domestic applications, including oil and gas pipelines, where corrosion mitigation using film-forming corrosion inhibitor formulations is a widely accepted method. This review identifies surface analytical techniques that are considered suitable for analysis of thin films at metallic substrates, but are yet to be applied to analysis of carbon steel surfaces in corrosive media or treated with corrosion inhibitors. The rev...

  8. Direct observation of hierarchical nucleation of martensite and size-dependent superelasticity in shape memory alloys.

    Science.gov (United States)

    Liu, Lifeng; Ding, Xiangdong; Li, Ju; Lookman, Turab; Sun, Jun

    2014-02-21

    Martensitic transformation usually creates hierarchical internal structures beyond mere change of the atomic crystal structure. Multi-stage nucleation is thus required, where nucleation (level-1) of the underlying atomic crystal lattice does not have to be immediately followed by the nucleation of higher-order superstructures (level-2 and above), such as polysynthetic laths. Using in situ transmission electron microscopy (TEM), we directly observe the nucleation of the level-2 superstructure in a Cu-Al-Ni single crystal under compression, with critical super-nuclei size L2c around 500 nm. When the sample size D decreases below L2c, the superelasticity behavior changes from a flat stress plateau to a continuously rising stress-strain curve. Such size dependence definitely would impact the application of shape memory alloys in miniaturized MEMS/NEMS devices.

  9. Urediospores of rust fungi are ice nucleation active at > -10 °C and harbor ice nucleation active bacteria

    Science.gov (United States)

    Morris, C. E.; Sands, D. C.; Glaux, C.; Samsatly, J.; Asaad, S.; Moukahel, A. R.; Gonçalves, F. L. T.; Bigg, E. K.

    2013-04-01

    Various features of the biology of the rust fungi and of the epidemiology of the plant diseases they cause illustrate the important role of rainfall in their life history. Based on this insight we have characterized the ice nucleation activity (INA) of the aerially disseminated spores (urediospores) of this group of fungi. Urediospores of this obligate plant parasite were collected from natural infections of 7 species of weeds in France, from coffee in Brazil and from field and greenhouse-grown wheat in France, the USA, Turkey and Syria. Immersion freezing was used to determine freezing onset temperatures and the abundance of ice nuclei in suspensions of washed spores. Microbiological analyses of spores from France, the USA and Brazil, and subsequent tests of the ice nucleation activity of the bacteria associated with spores were deployed to quantify the contribution of bacteria to the ice nucleation activity of the spores. All samples of spores were ice nucleation active, having freezing onset temperatures as high as -4 °C. Spores in most of the samples carried cells of ice nucleation-active strains of the bacterium Pseudomonas syringae (at rates of less than 1 bacterial cell per 100 urediospores), but bacterial INA accounted for only a small fraction of the INA observed in spore suspensions. Changes in the INA of spore suspensions after treatment with lysozyme suggest that the INA of urediospores involves a polysaccharide. Based on data from the literature, we have estimated the concentrations of urediospores in air at cloud height and in rainfall. These quantities are very similar to those reported for other biological ice nucleators in these same substrates. However, at cloud level convective activity leads to widely varying concentrations of particles of surface origin, so that mean concentrations can underestimate their possible effects on clouds. We propose that spatial and temporal concentrations of biological ice nucleators active at temperatures > -10

  10. BINARY: an optical freezing array for assessing temperature and time dependence of heterogeneous ice nucleation

    Directory of Open Access Journals (Sweden)

    C. Budke

    2015-02-01

    Full Text Available A new optical freezing array for the study of heterogeneous ice nucleation in microliter-sized droplets is introduced, tested and applied to the study of immersion freezing in aqueous Snomax® suspensions. In the Bielefeld Ice Nucleation ARraY (BINARY ice nucleation can be studied simultaneously in 36 droplets at temperatures down to −40 °C (233 K and at cooling rates between 0.1 and 10 K min−1. The droplets are separated from each other in individual compartments, thus preventing a Wegener–Bergeron–Findeisen type water vapor transfer between droplets as well as avoiding the seeding of neighboring droplets by formation and surface growth of frost halos. Analysis of freezing and melting occurs via an automated real-time image analysis of the optical brightness of each individual droplet. As an application ice nucleation in water droplets containing Snomax® at concentrations from 1 ng mL−1 to 1 mg mL−1 was investigated. Using different cooling rates, a small time dependence of ice nucleation induced by two different classes of ice nucleators (INs contained in Snomax® was detected and the corresponding heterogeneous ice nucleation rate coefficient was quantified. The observed time dependence is smaller than those of other types of INs reported in the literature, suggesting that the BINARY setup is suitable for quantifying time dependence for most other INs of atmospheric interest, making it a useful tool for future investigations.

  11. BINARY: an optical freezing array for assessing temperature and time dependence of heterogeneous ice nucleation

    Science.gov (United States)

    Budke, C.; Koop, T.

    2015-02-01

    A new optical freezing array for the study of heterogeneous ice nucleation in microliter-sized droplets is introduced, tested and applied to the study of immersion freezing in aqueous Snomax® suspensions. In the Bielefeld Ice Nucleation ARraY (BINARY) ice nucleation can be studied simultaneously in 36 droplets at temperatures down to -40 °C (233 K) and at cooling rates between 0.1 and 10 K min-1. The droplets are separated from each other in individual compartments, thus preventing a Wegener-Bergeron-Findeisen type water vapor transfer between droplets as well as avoiding the seeding of neighboring droplets by formation and surface growth of frost halos. Analysis of freezing and melting occurs via an automated real-time image analysis of the optical brightness of each individual droplet. As an application ice nucleation in water droplets containing Snomax® at concentrations from 1 ng mL-1 to 1 mg mL-1 was investigated. Using different cooling rates, a small time dependence of ice nucleation induced by two different classes of ice nucleators (INs) contained in Snomax® was detected and the corresponding heterogeneous ice nucleation rate coefficient was quantified. The observed time dependence is smaller than those of other types of INs reported in the literature, suggesting that the BINARY setup is suitable for quantifying time dependence for most other INs of atmospheric interest, making it a useful tool for future investigations.

  12. Crystallization of aqueous ammonium sulfate particles internally mixed with soot and kaolinite: crystallization relative humidities and nucleation rates.

    Science.gov (United States)

    Pant, Atul; Parsons, Matthew T; Bertram, Allan K

    2006-07-20

    Using optical microscopy, we investigated the crystallization of aqueous ammonium sulfate droplets containing soot and kaolinite, as well as the crystallization of aqueous ammonium sulfate droplets free of solid material. Our results show that soot did not influence the crystallization RH of aqueous ammonium sulfate particles under our experimental conditions. In contrast, kaolinite increased the crystallization RH of the aqueous ammonium sulfate droplets by approximately 10%. In addition, our results show that the crystallization RH of aqueous ammonium sulfate droplets free of solid material does not depend strongly on particle size. This is consistent with conclusions made previously in the literature, based on comparisons of results from different laboratories. From the crystallization results we determined the homogeneous nucleation rates of crystalline ammonium sulfate in aqueous ammonium sulfate droplets and the heterogeneous nucleation rates of crystalline ammonium sulfate in aqueous ammonium sulfate particles containing kaolinite. Using classical nucleation theory and our experimental data, we determined that the interfacial tension between an ammonium sulfate critical nucleus and an aqueous ammonium sulfate solution is 0.064 +/- 0.003 J m(-2) (in agreement with our previous measurements), and the contact angle between an ammonium sulfate critical nucleus and a kaolinite surface is 59 +/- 2 degrees. On the basis of our results, we argue that soot will not influence the crystallization RH of aqueous ammonium sulfate droplets in the atmosphere, but kaolinite can significantly modify the crystallization RH of atmospheric ammonium sulfate droplets. As an example, the CRH50 (the relative humidity at which 50% of the droplets crystallize) ranges from about 41 to 51% RH when the diameter of the kaolinite inclusion ranges from 0.1 to 5 microm. For comparison, the CRH50 of aqueous ammonium sulfate droplets (0.5 microm diameter) free of solid material is

  13. Ice nucleation properties of mineral dust particles: determination of onset RHi, IN active fraction, nucleation time-lag, and the effect of active sites on contact angles

    Directory of Open Access Journals (Sweden)

    S. Dobbie

    2010-01-01

    Full Text Available A newly developed ice nucleation experimental set up was used to investigate the heterogeneous ice nucleation properties of three Saharan and one Spanish dust particle samples. It was observed that the spread in the onset relative humidities with respect to ice (RHi for Saharan dust particles varied from 104% to 110%, whereas for the Spanish dust from 106% to 110%. The elemental composition analysis shows a prominent Ca feature in the Spanish dust sample which could potentially explain the differences in nucleation threshold. Although the spread in the onset RHi for the three Saharan dust samples were in agreement, the active fractions and nucleation time-lags calculated at various temperature and RHi conditions were found to differ. This could be due to the subtle variation in the elemental composition of the dust samples, and surface irregularities like steps, cracks, cavities etc. A combination of classical nucleation theory and active site theory is used to understand the importance of these surface irregularities on the nucleability parameter, contact angle that is widely used in ice cloud modeling. These calculations show that the surface irregularities can reduce the contact angle by approximately 10 degrees.

  14. Influence of titanium oxide films on copper nucleation during electrodeposition

    International Nuclear Information System (INIS)

    Chang, Hyun K.; Choe, Byung-Hak; Lee, Jong K.

    2005-01-01

    Copper electrodeposition has an important industrial role because of various interconnects used in electronic devices such as printed wire boards. With an increasing trend in device miniaturization, in demand are void-free, thin copper foils of 10 μm thick or less with a very low surface profile. In accordance, nucleation kinetics of copper was studied with titanium cathodes that were covered with thin, passive oxide films of 2-3 nm. Such an insulating oxide layer with a band gap of 3 eV is supposed to nearly block charge transfer from the cathode to the electrolyte. However, significant nucleation rates of copper were observed. Pipe tunneling mechanism along a dislocation core is reasoned to account for the high nucleation kinetics. A dislocation core is proposed to be a high electron tunneling path with a reduced energy barrier and a reduced barrier thickness. In supporting the pipe tunneling mechanism, both 'in situ' and 'ex situ' scratch tests were performed to introduce extra dislocations into the cathode surface, that is, more high charge paths via tunneling, before electrodeposition

  15. Magnetization reversal in nucleation controlled magnets. I. Theory

    International Nuclear Information System (INIS)

    Ramesh, R.; Srikrishna, K.

    1988-01-01

    A statistical model, based upon earlier models of Brown [J. Appl. Phys. 33, 3022 (1962)] and McIntyre [J. Phys. D 3, 1430 (1970)] has been developed to examine the magnetization reversal of domain-wall nucleation controlled permanent magnets such as sintered Fe-Nd-B and SmCo 5 . Using a Poisson distribution of the defects on the surface of the grains, a ''weakest link statistics'' type model has been developed. The model has been used to calculate hysteresis loops for sintered Fe-Nd-B-type polycrystalline magnets. It is shown that the intrinsic coercivity measured for a bulk magnet should vary inversely as the logarithm of the surface area of the grain. The effect of demagnetizing field has been incorporated by a mean-field-type approximation, to calculate the overall nucleation field from the intrinsic coercivity. The hysteresis loops theoretically calculated are in excellent agreement with the overall form of those experimentally determined for similar nucleation controlled magnets. The model also predicts that for an inhomogeneous grain size distribution, such as a bimodal distribution, kinks will be observed in the second quadrant of the hysteresis loops

  16. Intermediate Nucleation State of GaN Growth

    Science.gov (United States)

    Zheng, L. X.; Xie, M. H.; Tong, S. Y.

    2001-03-01

    Homoexpitaxial nucleation of GaN during molecular-beam epitaxy is followed by scanning tunneling microcopy (STM). We observe a metastable nucleation state, which manifests as “ghost” islands in STM images. These “ghost” islands can be irreversibly driven into normal islands by continuous STM imaging. It is further established that the “ghost” island formation is related to the presence of excess Ga atoms on the surface: Normal islands are only seen under the N-rich or stoichiometric flux condition, whereas “ghost” islands are observed under Ga-rich conditions. For intermediate excess-Ga coverages, both normal and “ghost” islands are present, however, they show distinctly different sizes, suggesting different nucleation states for the two. A growth model is proposed to account for the formation of metastable, “ghost” islands. Kinetic Monte Carlo simulation is carried out and main features of the surface are reproduced. We acknowledge financial support from HK RGC under grant Nos. 7396/00P, 7142/99P, and 7121/00P.

  17. Critical coupling of surface plasmons in graphene attenuated total reflection geometry

    Energy Technology Data Exchange (ETDEWEB)

    Cuevas, Mauro, E-mail: cuevas@df.uba.ar [Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) and Facultad de Ingeniería y Tecnología Informática, Universidad de Belgrano, Villanueva 1324, C1426BMJ, Buenos Aires (Argentina); Grupo de Electromagnetismo Aplicado, Departamento de Física, FCEN, Universidad de Buenos Aires and IFIBA, Ciudad Universitaria, Pabellón I, C1428EHA, Buenos Aires (Argentina)

    2016-12-09

    We study the optical response of an attenuated total reflection (ATR) structure in Otto configuration with graphene sheet, paying especial attention to the occurrence of total absorption. Our results show that due to excitation of surface plasmons on the graphene sheet, two different conditions of total absorption may occur. At these conditions, the energy loss of the surface plasmon by radiation is equal to its energy loss by absorption into the graphene sheet. We give necessary conditions on ATR parameters for the existence of total absorption. - Highlights: • Attenuated total reflection (ATR) structure with graphene sheet. • Surface plasmons and power matched condition. • Necessary conditions on ATR parameters for the existence of total absorption.

  18. Critical coupling of surface plasmons in graphene attenuated total reflection geometry

    International Nuclear Information System (INIS)

    Cuevas, Mauro

    2016-01-01

    We study the optical response of an attenuated total reflection (ATR) structure in Otto configuration with graphene sheet, paying especial attention to the occurrence of total absorption. Our results show that due to excitation of surface plasmons on the graphene sheet, two different conditions of total absorption may occur. At these conditions, the energy loss of the surface plasmon by radiation is equal to its energy loss by absorption into the graphene sheet. We give necessary conditions on ATR parameters for the existence of total absorption. - Highlights: • Attenuated total reflection (ATR) structure with graphene sheet. • Surface plasmons and power matched condition. • Necessary conditions on ATR parameters for the existence of total absorption.

  19. Emerging surface characterization techniques for carbon steel corrosion: a critical brief review

    Science.gov (United States)

    Dwivedi, D.; Lepkova, K.; Becker, T.

    2017-03-01

    Carbon steel is a preferred construction material in many industrial and domestic applications, including oil and gas pipelines, where corrosion mitigation using film-forming corrosion inhibitor formulations is a widely accepted method. This review identifies surface analytical techniques that are considered suitable for analysis of thin films at metallic substrates, but are yet to be applied to analysis of carbon steel surfaces in corrosive media or treated with corrosion inhibitors. The reviewed methods include time of flight-secondary ion mass spectrometry, X-ray absorption spectroscopy methods, particle-induced X-ray emission, Rutherford backscatter spectroscopy, Auger electron spectroscopy, electron probe microanalysis, near-edge X-ray absorption fine structure spectroscopy, X-ray photoemission electron microscopy, low-energy electron diffraction, small-angle neutron scattering and neutron reflectometry, and conversion electron Moessbauer spectrometry. Advantages and limitations of the analytical methods in thin-film surface investigations are discussed. Technical parameters of nominated analytical methods are provided to assist in the selection of suitable methods for analysis of metallic substrates deposited with surface films. The challenges associated with the applications of the emerging analytical methods in corrosion science are also addressed.

  20. A critical assessment of the JULES land surface model hydrology for humid tropical environments

    Science.gov (United States)

    Zulkafli, Z.; Buytaert, W.; Onof, C.; Lavado, W.; Guyot, J. L.

    2013-03-01

    Global land surface models (LSMs) such as the Joint UK Land Environment Simulator (JULES) are originally developed to provide surface boundary conditions for climate models. They are increasingly used for hydrological simulation, for instance to simulate the impacts of land use changes and other perturbations on the water cycle. This study investigates how well such models represent the major hydrological fluxes at the relevant spatial and temporal scales - an important question for reliable model applications in poorly understood, data-scarce environments. The JULES-LSM is implemented in a 360 000 km2 humid tropical mountain basin of the Peruvian Andes-Amazon at 12-km grid resolution, forced with daily satellite and climate reanalysis data. The simulations are evaluated using conventional discharge-based evaluation methods, and by further comparing the magnitude and internal variability of the basin surface fluxes such as evapotranspiration, throughfall, and surface and subsurface runoff of the model with those observed in similar environments elsewhere. We find reasonably positive model efficiencies and high correlations between the simulated and observed streamflows, but high root-mean-square errors affecting the performance in smaller, upper sub-basins. We attribute this to errors in the water balance and JULES-LSM's inability to model baseflow. We also found a tendency to under-represent the high evapotranspiration rates of the region. We conclude that strategies to improve the representation of tropical systems to be (1) addressing errors in the forcing and (2) incorporating local wetland and regional floodplain in the subsurface representation.

  1. Surface water retardation around single-chain polymeric nanoparticles: critical for catalytic function?

    Science.gov (United States)

    Stals, Patrick J M; Cheng, Chi-Yuan; van Beek, Lotte; Wauters, Annelies C; Palmans, Anja R A; Han, Songi; Meijer, E W

    2016-03-01

    A library of water-soluble dynamic single-chain polymeric nanoparticles (SCPN) was prepared using a controlled radical polymerisation technique followed by the introduction of functional groups, including probes at targeted positions. The combined tools of electron paramagnetic resonance (EPR) and Overhauser dynamic nuclear polarization (ODNP) reveal that these SCPNs have structural and surface hydration properties resembling that of enzymes.

  2. Characterization for DRX and FTIR of the surface of UWMWPE for critical applications

    International Nuclear Information System (INIS)

    Medeiros, Keila M. de; Araujo, E.M.; Lira, H.L.; Patricio, Aline C.L.; Lima, Carlos A.P. de

    2009-01-01

    Biomaterials is the result of the application of the science of the materials to the medicine, understands a new and important spectrum of the knowledge - Science of Biomaterials. The principal aspects that determine the acting of a bio material in the human body are three: biocompatibility, mechanical properties and degradation. This work had the objective to modify and to oxidate the surface of ultra-high molecular weight polyethylene (UHMWPE). It was utilized for this modification water sandpapers and for oxidation the hydrogen peroxide (H 2 O 2 ). The surface of UHMWPE it was modified with water sandpapers of numbers 180, 600 and 1200 mesh and oxidated with the H 2 O 2 in different concentrations of 35 and 60%. The samples already with its modified surfaces had been submitted to the characterization using itself the following techniques: diffraction de ray-X and Fourier transform infra-red spectroscopy. The physical modification (sanded) and chemistry (H 2 O 2 ) of the surface of UHMWPE was important because it looks for improving the interaction techniques of the implants with the bone. (author)

  3. Critical review: Copper runoff from outdoor copper surfaces at atmospheric conditions.

    Science.gov (United States)

    Hedberg, Yolanda S; Hedberg, Jonas F; Herting, Gunilla; Goidanich, Sara; Odnevall Wallinder, Inger

    2014-01-01

    This review on copper runoff dispersed from unsheltered naturally patinated copper used for roofing and facades summarizes and discusses influencing factors, available literature, and predictive models, and the importance of fate and speciation for environmental risk assessment. Copper runoff from outdoor surfaces is predominantly governed by electrochemical and chemical reactions and is highly dependent on given exposure conditions (size, inclination, geometry, degree of sheltering, and orientation), surface parameters (age, patina composition, and thickness), and site-specific environmental conditions (gaseous pollutants, chlorides, rainfall characteristics (amount, intensity, pH), wind direction, temperature, time of wetness, season). The corrosion rate cannot be used to assess the runoff rate. The extent of released copper varies largely between different rain events and is related to dry and wet periods, dry deposition prior to the rain event and prevailing rain and patina characteristics. Interpretation and use of copper runoff data for environmental risk assessment and management need therefore to consider site-specific factors and focus on average data of long-term studies (several years). Risk assessments require furthermore that changes in copper speciation, bioavailability aspects, and potential irreversible retention on solid surfaces are considered, factors that determine the environmental fate of copper runoff from outdoor surfaces.

  4. Non-monotonic variations of the nucleation free energy in a glass-forming ultra-soft particles fluid.

    Science.gov (United States)

    Desgranges, Caroline; Delhommelle, Jerome

    2018-06-18

    Using molecular dynamics simulation, we study the impact of the degree of supercooling on the crystal nucleation of ultra-soft particles, modeled with the Gaussian core potential. Focusing on systems with a high number density, our simulations reveal dramatically different behaviors as the degree of supercooling is varied. In the moderate supercooling regime, crystal nucleation proceeds as expected from classical nucleation theory, with a decrease in the free energy of nucleation, as well as in the size of the critical nucleus, as supercooling is increased. On the other hand, in the large supercooling regime, we observe an unusual reversal of behavior with an increase in the free energy of nucleation and in the critical size, as supercooling is increased. This unexpected result is analyzed in terms of the interplay between the glass transition and the crystal nucleation process. Specifically, medium range order crystal-like domains, with structural features different from that of the crystal nucleus, are found to form throughout the system when the supercooling is very large. These, in turn, play a pivotal role in the increase in the free energy of nucleation, as well as in the critical size, as the temperature gets closer to the glass transition.

  5. Measurement of supercritical CO2 critical flow: Effects of L/D and surface roughness

    International Nuclear Information System (INIS)

    Mignot, Guillaume P.; Anderson, Mark H.; Corradini, Michael L.

    2009-01-01

    The use of supercritical fluids (SCF) has been proposed for advanced power systems including advanced sodium reactors, since these fluids can provide higher thermal efficiency and reduced system component size. Data characterizing the behavior of SCF during a blowdown or rapid depressurization are essential to validate certain aspects of safety analyses. This paper describes the results of an experiment to measure the critical mass flux for numerous stagnation thermodynamic conditions, geometry and outlet tube roughness. It was found that a 1D homogeneous equilibrium model (HEM) was capable of relatively good (less than 10% error) prediction of the test data.

  6. Damage nucleation in Si during ion irradiation

    International Nuclear Information System (INIS)

    Holland, O.W.; Fathy, D.; Narayan, J.

    1984-01-01

    Damage nucleation in single crystals of silicon during ion irradiation is investigated. Experimental results and mechanisms for damage nucleation during both room and liquid nitrogen temperature irradiation with different mass ions are discussed. It is shown that the accumulation of damage during room temperature irradiation depends on the rate of implantation. These dose rate effects are found to decrease in magnitude as the mass of the ions is increased. The significance of dose rate effects and their mass dependence on nucleation mechanisms is discussed

  7. Controlled nucleation and crystallization of fluorozirconate glasses

    International Nuclear Information System (INIS)

    Frischat, G.H.

    1993-01-01

    Pt, Se, and Ag, respectively, were used as nucleating agents for a ZrF 4 -BaF 4 -YF 3 -AlF 3 glass. Nucleation and crystal growth rates were determined as a function of experimental conditions. In all cases the bulk crystals mainly consist of β-BaZrF6, leading to a relatively coarse-grained microstructure. However, in the case of Ag used as a nucleating agent, the microstructure is bimodal with an additional fine-grained crystal phase. In the cases of Se and Ag the relative crystal fraction could be developed in a controlled way between 0 and 100%

  8. Immersion Freezing of Aluminas: The Effect of Crystallographic Properties on Ice Nucleation

    Science.gov (United States)

    King, M.; Chong, E.; Freedman, M. A.

    2017-12-01

    Atmospheric aerosol particles serve as the nuclei for heterogeneous ice nucleation, a process that allows for ice to form at higher temperatures and lower supersaturations with respect to ice. This process is essential to the formation of ice in cirrus clouds. Heterogeneous ice nucleation is affected by many factors including the composition, crystal structure, porosity, and surface area of the particles. However, these factors are not well understood and, as such, are difficult to account for in climate models. To test the effects of crystal structure on ice nucleation, a system of transition aluminas (Al2O3) that differ only in their crystal structure, despite being compositionally similar, were tested using immersion freezing. Particles were immersed in water and placed into a temperature controlled chamber. Freezing events were then recorded as the chamber was cooled to negative 30 °. Alpha-alumina, which is a member of the hexagonal crystal system, showed a significantly higher temperature at which all particles froze in comparison to other samples. This supports the hypothesis that, since a hexagonal crystal structure is the lowest energy state for ice, hexagonal surface structures would best facilitate ice nucleation. However, a similar sample of hexagonal chi-alumina did not show the same results. Further analysis of the samples will be done to characterize surface structures and composition. These conflicting data sets raise interesting questions about the effect of other surface features, such as surface area and porosity, on ice nucleation.

  9. Nucleus-size pinning for determination of nucleation free-energy barriers and nucleus geometry

    Science.gov (United States)

    Sharma, Abhishek K.; Escobedo, Fernando A.

    2018-05-01

    Classical Nucleation Theory (CNT) has recently been used in conjunction with a seeding approach to simulate nucleation phenomena at small-to-moderate supersaturation conditions when large free-energy barriers ensue. In this study, the conventional seeding approach [J. R. Espinosa et al., J. Chem. Phys. 144, 034501 (2016)] is improved by a novel, more robust method to estimate nucleation barriers. Inspired by the interfacial pinning approach [U. R. Pedersen, J. Chem. Phys. 139, 104102 (2013)] used before to determine conditions where two phases coexist, the seed of the incipient phase is pinned to a preselected size to iteratively drive the system toward the conditions where the seed becomes a critical nucleus. The proposed technique is first validated by estimating the critical nucleation conditions for the disorder-to-order transition in hard spheres and then applied to simulate and characterize the highly non-trivial (prolate) morphology of the critical crystal nucleus in hard gyrobifastigia. A generalization of CNT is used to account for nucleus asphericity and predict nucleation free-energy barriers for gyrobifastigia. These predictions of nuclei shape and barriers are validated by independent umbrella sampling calculations.

  10. Homogeneous nucleation ahead of the solid-liquid interface during rapid solidification of binary alloys

    International Nuclear Information System (INIS)

    Smith, P.M.; Elmer, J.W.

    1996-01-01

    In recent rapid solidification experiments on Al-5%Be alloys, a Liquid Phase Nucleation (LPN) model was developed to explain the formation of periodic arrays of randomly-oriented Be-rich particles in an Al-rich matrix. In the LPN model, Be droplets were assumed to nucleate in the liquid ahead of the solid-liquid interface, but no justification for this was given. Here the authors present a model which considers the geometric constraints (imposed by proximity to the interface) on the number of solute atoms available to form a nucleus. Calculations based on this model predict that nucleation of second-phase particles can be most likely a short distance ahead of the interface in immiscible binary systems such as Al-Be. As part of the nucleation calculations, a semi-empirical method of calculating solid-liquid surface tensions in binary systems was developed, and is presented in the Appendix

  11. A review of the theories of non-critical strings and random surfaces

    International Nuclear Information System (INIS)

    Ambjoern, J.

    1988-11-01

    I review the basic properties of the theory of random surfaces. It is shown that the theory gives a correct description of strings in dimensions d≤1 and of matter fields with central charge c≤1. In this region it coincides with the new results of Knizhnik, Polyakov and Zamolodchikov. Analytical and numerical results for the discretized model and for the standard continuum string model for d>1 indicate a trivial theory in this region. (orig.)

  12. The surface energy, thermal vibrations of dislocation lines and the critical crack extension force

    International Nuclear Information System (INIS)

    Chiang, Chien.

    1979-09-01

    The connections between atomic structure and mechanical properties of metals are interested by many physicist and mechanists recently. The authors of this paper try to connect the fracture of materials with the surface energy and dislocation properties, which may be treated with lattice dynamics and electron theory of solids. It shows that to combine the knowledge of solid state physics and fracture mechanics is quite important. (author)

  13. Let’s not forget the critical role of surface tension in xylem water relations

    Science.gov (United States)

    Jean-Christophe Domec

    2011-01-01

    The widely supported cohesion–tension theory of water transport explains the importance of a continuous water column and the mechanism of long-distance ascent of sap in plants (Dixon 1914, Tyree 2003, Angeles et al. 2004). The evaporation of water from the surfaces of mesophyll cells causes the air–water interface to retreat into the cellulose matrix of the plant cell...

  14. Probabilistic risk assessment of insecticide concentrations in agricultural surface waters: a critical appraisal.

    Science.gov (United States)

    Stehle, Sebastian; Knäbel, Anja; Schulz, Ralf

    2013-08-01

    Due to the specific modes of action and application patterns of agricultural insecticides, the insecticide exposure of agricultural surface waters is characterized by infrequent and short-term insecticide concentration peaks of high ecotoxicological relevance with implications for both monitoring and risk assessment. Here, we apply several fixed-interval strategies and an event-based sampling strategy to two generalized and two realistic insecticide exposure patterns for typical agricultural streams derived from FOCUS exposure modeling using Monte Carlo simulations. Sampling based on regular intervals was found to be inadequate for the detection of transient insecticide concentrations, whereas event-triggered sampling successfully detected all exposure incidences at substantially lower analytical costs. Our study proves that probabilistic risk assessment (PRA) concepts in their present forms are not appropriate for a thorough evaluation of insecticide exposure. Despite claims that the PRA approach uses all available data to assess exposure and enhances risk assessment realism, we demonstrate that this concept is severely biased by the amount of insecticide concentrations below detection limits and therefore by the sampling designs. Moreover, actual insecticide exposure is of almost no relevance for PRA threshold level exceedance frequencies and consequential risk assessment outcomes. Therefore, we propose a concept that features a field-relevant ecological risk analysis of agricultural insecticide surface water exposure. Our study quantifies for the first time the environmental and economic consequences of inappropriate monitoring and risk assessment concepts used for the evaluation of short-term peak surface water pollutants such as insecticides.

  15. Foreshocks during the nucleation of stick-slip instability

    Science.gov (United States)

    McLaskey, Gregory C.; Kilgore, Brian D.

    2013-01-01

    We report on laboratory experiments which investigate interactions between aseismic slip, stress changes, and seismicity on a critically stressed fault during the nucleation of stick-slip instability. We monitor quasi-static and dynamic changes in local shear stress and fault slip with arrays of gages deployed along a simulated strike-slip fault (2 m long and 0.4 m deep) in a saw cut sample of Sierra White granite. With 14 piezoelectric sensors, we simultaneously monitor seismic signals produced during the nucleation phase and subsequent dynamic rupture. We observe localized aseismic fault slip in an approximately meter-sized zone in the center of the fault, while the ends of the fault remain locked. Clusters of high-frequency foreshocks (Mw ~ −6.5 to −5.0) can occur in this slowly slipping zone 5–50 ms prior to the initiation of dynamic rupture; their occurrence appears to be dependent on the rate at which local shear stress is applied to the fault. The meter-sized nucleation zone is generally consistent with theoretical estimates, but source radii of the foreshocks (2 to 70 mm) are 1 to 2 orders of magnitude smaller than the theoretical minimum length scale over which earthquake nucleation can occur. We propose that frictional stability and the transition between seismic and aseismic slip are modulated by local stressing rate and that fault sections, which would typically slip aseismically, may radiate seismic waves if they are rapidly stressed. Fault behavior of this type may provide physical insight into the mechanics of foreshocks, tremor, repeating earthquake sequences, and a minimum earthquake source dimension.

  16. Coincident brane nucleation and the neutralization of Λ

    International Nuclear Information System (INIS)

    Garriga, Jaume; Megevand, Ariel

    2004-01-01

    Nucleation of branes by a four-form field has recently been considered in string motivated scenarios for the neutralization of the cosmological constant. An interesting question in this context is whether the nucleation of stacks of coincident branes is possible, and if so, at what rate does it proceed. Feng et al. have suggested that, at high ambient de Sitter temperature, the rate may be strongly enhanced, due to large degeneracy factors associated with the number of light species living on the worldsheet. This might facilitate the quick relaxation from a large effective cosmological constant down to the observed value. Here, we analyze this possibility in some detail. In four dimensions, and after the moduli are stabilized, branes interact via repulsive long range forces. Because of that, the Coleman-de Luccia (CdL) instanton for coincident brane nucleation may not exist, unless there is some short range interaction that keeps the branes together. If the CdL instanton exists, we find that the degeneracy factor depends only mildly on the ambient de Sitter temperature, and does not switch off even in the case of tunneling from flat space. This would result in catastrophic decay of the present vacuum. If, on the contrary, the CdL instanton does not exist, coincident brane nucleation may still proceed through a 'static' instanton, representing pair creation of critical bubbles--a process somewhat analogous to thermal activation in flat space. In that case, the branes may stick together due to thermal symmetry restoration, and the pair creation rate depends exponentially on the ambient de Sitter temperature, switching off sharply as the temperature approaches zero. Such a static instanton may be well suited for the 'saltatory' relaxation scenario proposed by Feng et al

  17. Reversible island nucleation and growth with anomalous diffusion

    Science.gov (United States)

    Sabbar, Ehsan H.; Amar, Jacques G.

    2017-10-01

    Motivated by recent experiments on submonolayer organic film growth with anomalous diffusion, a general rate-equation (RE) theory of submonolayer island nucleation and growth was developed (Amar and Semaan, 2016) [23], which takes into account the critical island-size i, island fractal dimension df, substrate dimension d, and diffusion exponent μ, and good agreement with simulations was found for the case of irreversible growth corresponding to a critical island-size i = 1 with d = 2 . However, since many experiments correspond to a critical island-size larger than 1, it is of interest to determine if the RE predictions also hold in the case of reversible island nucleation with anomalous diffusion. Here we present the results of simulations of submonolayer growth with i = 2 (d = 2) which were carried out for both the case of superdiffusion (μ > 1) and subdiffusion (μ deposited monomers, excellent agreement is obtained with the predictions of the generalized RE theory for the exponents χ(μ) and χ1(μ) which describe the dependence of the island and monomer densities at fixed coverage on deposition rate F. In addition, the exponents do not depend on whether or not monomers remain superdiffusive or are thermalized (e.g. undergo regular diffusion) after detaching from a dimer. However, we also find that, as was previously found in the case of irreversible growth, the exponent χ only approaches its asymptotic value logarithmically with increasing 1/F. This result has important implications for the interpretation of experiments. Good agreement with the RE theory is also found in the case of subdiffusion for point-islands. However, in the case of ramified islands with subdiffusion and i = 2 , the exponents are significantly higher than predicted due to the fact that monomer capture dominates in the nucleation regime. A modified RE theory which takes this into account is presented, and excellent agreement is found with our simulations.

  18. Critical assessment of suitable methods used for determination of antibacterial properties at photocatalytic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Krysa, Josef, E-mail: Josef.Krysa@vscht.cz [Institute of Chemical Technology Prague, Department of Water Technology and Environmental Engineering, Technicka 5, CZ-166 28 Prague (Czech Republic); Musilova, Eva [Institute of Chemical Technology Prague, Department of Water Technology and Environmental Engineering, Technicka 5, CZ-166 28 Prague (Czech Republic); Zita, Jiri [Institute of Chemical Technology Prague, Department of Inorganic Technology, Technicka 5, CZ-166 28 Prague (Czech Republic)

    2011-11-15

    Highlights: {yields} Methods for antibacterial activity of irradiated TiO{sub 2} films were critically assessed. {yields} As test bacteria gram negative E. coli and gram positive E. faecalis were employed. {yields} The ISO glass adhesion method is more appropriate than method with bacteria suspension. {yields} Some improvements of the ISO method were suggested. - Abstract: This work describes the development of methods necessary for antibacterial effect evaluation on irradiated TiO{sub 2} layers. Two methods using bacteria suspensions and the glass adhesion method (based on ISO 27447:2009(E)) were critically assessed and compared. As test bacteria gram negative Escherichia coli and gram positive Enterococcus faecalis were employed. The method using 50 cm{sup 3} of bacteria suspension is convenient for testing layers with strong antibacterial effect (prepared from powder photocatalysts). For the evaluation of the antibacterial effect of sol gel layers, the glass adhesion method based on the ISO is more appropriate than the method with 3 cm{sup 3} of bacteria suspension. The reason is that the later does not allow a distinction between the inhibition effect of TiO{sub 2} and UV light itself. Some improvements of the ISO method were suggested, namely the use of gelatinous pills (CCM) of bacteria, using saline solution instead of nutrient broth for bacteria suspension preparation and the application of selective media for bacteria cultivation. Decreasing the light intensity from 0.6 mW cm{sup -2} to 0.2 mW cm{sup -2} (fulfilling the requirements of the ISO) results in almost negligible effect of UV light itself, thus enabling proper testing of the antibacterial properties of TiO{sub 2} thin films.

  19. Critical assessment of suitable methods used for determination of antibacterial properties at photocatalytic surfaces

    International Nuclear Information System (INIS)

    Krysa, Josef; Musilova, Eva; Zita, Jiri

    2011-01-01

    Highlights: → Methods for antibacterial activity of irradiated TiO 2 films were critically assessed. → As test bacteria gram negative E. coli and gram positive E. faecalis were employed. → The ISO glass adhesion method is more appropriate than method with bacteria suspension. → Some improvements of the ISO method were suggested. - Abstract: This work describes the development of methods necessary for antibacterial effect evaluation on irradiated TiO 2 layers. Two methods using bacteria suspensions and the glass adhesion method (based on ISO 27447:2009(E)) were critically assessed and compared. As test bacteria gram negative Escherichia coli and gram positive Enterococcus faecalis were employed. The method using 50 cm 3 of bacteria suspension is convenient for testing layers with strong antibacterial effect (prepared from powder photocatalysts). For the evaluation of the antibacterial effect of sol gel layers, the glass adhesion method based on the ISO is more appropriate than the method with 3 cm 3 of bacteria suspension. The reason is that the later does not allow a distinction between the inhibition effect of TiO 2 and UV light itself. Some improvements of the ISO method were suggested, namely the use of gelatinous pills (CCM) of bacteria, using saline solution instead of nutrient broth for bacteria suspension preparation and the application of selective media for bacteria cultivation. Decreasing the light intensity from 0.6 mW cm -2 to 0.2 mW cm -2 (fulfilling the requirements of the ISO) results in almost negligible effect of UV light itself, thus enabling proper testing of the antibacterial properties of TiO 2 thin films.

  20. Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches.

    Science.gov (United States)

    Bal, Kristof M; Neyts, Erik C

    2018-03-28

    A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field.

  1. Critical current density of BiSrCaCuO superconductors: effect of surface barriers

    International Nuclear Information System (INIS)

    Konczykowski, M.; Chikumoto, N.

    1992-01-01

    Effects of surface barriers on vortex motion in BiSrCaCuO-2212 high-temperature superconducting crystals is summarized. Characteristic features of this phenomenon appear in the hysteresis loop (shape of its ascending and descending branches), in the effect of 2.5 MeV electron irradiation, and in flux creep measurements (magnetization dependence to the crystal lateral dimension, size of the flux-creep barrier and the crossover as a function of temperature and time persistent current density). (A.B.). 25 refs., 3 figs

  2. Copper Benzenetricarboxylate Metal-Organic Framework Nucleation Mechanisms on Metal Oxide Powders and Thin Films formed by Atomic Layer Deposition.

    Science.gov (United States)

    Lemaire, Paul C; Zhao, Junjie; Williams, Philip S; Walls, Howard J; Shepherd, Sarah D; Losego, Mark D; Peterson, Gregory W; Parsons, Gregory N

    2016-04-13

    Chemically functional microporous metal-organic framework (MOF) crystals are attractive for filtration and gas storage applications, and recent results show that they can be immobilized on high surface area substrates, such as fiber mats. However, fundamental knowledge is still lacking regarding initial key reaction steps in thin film MOF nucleation and growth. We find that thin inorganic nucleation layers formed by atomic layer deposition (ALD) can promote solvothermal growth of copper benzenetricarboxylate MOF (Cu-BTC) on various substrate surfaces. The nature of the ALD material affects the MOF nucleation time, crystal size and morphology, and the resulting MOF surface area per unit mass. To understand MOF nucleation mechanisms, we investigate detailed Cu-BTC MOF nucleation behavior on metal oxide powders and Al2O3, ZnO, and TiO2 layers formed by ALD on polypropylene substrates. Studying both combined and sequential MOF reactant exposure conditions, we find that during solvothermal synthesis ALD metal oxides can react with the MOF metal precursor to form double hydroxy salts that can further convert to Cu-BTC MOF. The acidic organic linker can also etch or react with the surface to form MOF from an oxide metal source, which can also function as a nucleation agent for Cu-BTC in the mixed solvothermal solution. We discuss the implications of these results for better controlled thin film MOF nucleation and growth.

  3. Hydration Effects on the Stability of Calcium Carbonate Pre-Nucleation Species

    Directory of Open Access Journals (Sweden)

    Alejandro Burgos-Cara

    2017-07-01

    Full Text Available Recent experimental evidence and computer modeling have shown that the crystallization of a range of minerals does not necessarily follow classical models and theories. In several systems, liquid precursors, stable pre-nucleation clusters and amorphous phases precede the nucleation and growth of stable mineral phases. However, little is known on the effect of background ionic species on the formation and stability of pre-nucleation species formed in aqueous solutions. Here, we present a systematic study on the effect of a range of background ions on the crystallization of solid phases in the CaCO3-H2O system, which has been thoroughly studied due to its technical and mineralogical importance, and is known to undergo non-classical crystallization pathways. The induction time for the onset of calcium carbonate nucleation and effective critical supersaturation are systematically higher in the presence of background ions with decreasing ionic radii. We propose that the stabilization of water molecules in the pre-nucleation clusters by background ions can explain these results. The stabilization of solvation water hinders cluster dehydration, which is an essential step for precipitation. This hypothesis is corroborated by the observed correlation between parameters such as the macroscopic equilibrium constant for the formation of calcium/carbonate ion associates, the induction time, and the ionic radius of the background ions in the solution. Overall, these results provide new evidence supporting the hypothesis that pre-nucleation cluster dehydration is the rate-controlling step for calcium carbonate precipitation.

  4. Isotactic polypropylene/carbon nanotube composites prepared by latex technology. Thermal analysis of carbon nanotube-induced nucleation

    NARCIS (Netherlands)

    Miltner, H.E.; Grossiord, N.; Lu, K.; Loos, J.; Koning, C.E.; Van Mele, B.

    2008-01-01

    During nonisothermal crystallization of highly dispersed polypropylene/carbon nanotube (CNT) composites, considerable heterogeneous nucleation is observed to an extent scaling with the CNT surface area. Saturation occurs at higher loadings, reaching a plateau value for the crystallization onset

  5. A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes

    International Nuclear Information System (INIS)

    Klimes, JirI; Michaelides, Angelos; Bowler, David R

    2010-01-01

    The performance of a variety of techniques for locating transition states on potential energy surfaces is evaluated within the density functional theory framework. Diffusion of a water molecule across NaCl(001) and HCl bond breaking on the same surface are treated as general test cases; the former is an example of a low barrier diffusion process and the latter an example of a relatively high barrier covalent bond rupture event. The methods considered include the nudged elastic band (NEB), Dewar, Healy and Stewart (DHS), dimer, constrained optimization (CO), activation-relaxation technique (ART) and one-side growing string (OGS) as well as novel combinations of the DHS with growing string (DHS + GS) and DHS plus climbing image (CI-DHS). A key conclusion to come from this study is that the NEB method is relatively fast, especially when just a single (climbing) image is used. Indeed, using more images represents an unnecessary computational burden for our set of processes. The dimer method exhibits variable performance; being poor for the water diffusion processes, which have small activation energies, but much more efficient for the HCl bond breaking process which has a higher barrier. When only a poor initial guess of the transition state geometry is available, the CI-DHS scheme is one of the most efficient techniques considered. And as a means to quickly establish an approximate minimum energy pathway the DHS + GS scheme offers some potential.

  6. Critical review of gamma spectrometry detection approaches for in-plant surface deposition monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Gregorich, Carola [Nuclear Fuels and Chemistry at the Electric Power Research Institute, Palo Alto, CA 94304, (United States)

    2015-07-01

    Surface deposition of activated corrosion product on oxide layers of light-water reactor primary system components is the primary source for ex-core radiation fields and personnel radiation exposure. Understanding the deposition mechanism and what factors influence the deposition and release behaviors are crucial for developing effective radiation field reduction measures. One of the available tools to assess the surface deposition is in-plant gamma spectrometry, which has been performed for several decades using either sodium iodide (NaI) or high-purity germanium (HPGe) detectors. Lately, the much more mobile cadmium-zinc-telluride (CZT) detectors are increasingly employed by stations because of their ease in use and handling. However, all of these gamma detectors face the same challenges; namely large-geometry samples of inconsistent sample compositions and sometimes gaps in the information necessary to establish proper efficiency calibrations. This paper reviews current measurements and efficiency calibration approaches taken in the industry. The validity of the measurement results and the feasibility of the data's use in understanding source term behavior is examined. Suggestions are made for the development of a more robust deposit characterization and radiation field monitoring program. (authors)

  7. Hybrid of Natural Element Method (NEM with Genetic Algorithm (GA to find critical slip surface

    Directory of Open Access Journals (Sweden)

    Shahriar Shahrokhabadi

    2014-06-01

    Full Text Available One of the most important issues in geotechnical engineering is the slope stability analysis for determination of the factor of safety and the probable slip surface. Finite Element Method (FEM is well suited for numerical study of advanced geotechnical problems. However, mesh requirements of FEM creates some difficulties for solution processing in certain problems. Recently, motivated by these limitations, several new Meshfree methods such as Natural Element Method (NEM have been used to analyze engineering problems. This paper presents advantages of using NEM in 2D slope stability analysis and Genetic Algorithm (GA optimization to determine the probable slip surface and the related factor of safety. The stress field is produced under plane strain condition using natural element formulation to simulate material behavior analysis utilized in conjunction with a conventional limit equilibrium method. In order to justify the preciseness and convergence of the proposed method, two kinds of examples, homogenous and non-homogenous, are conducted and results are compared with FEM and conventional limit equilibrium methods. The results show the robustness of the NEM in slope stability analysis.

  8. Stochastic simulation of nucleation in binary alloys

    Science.gov (United States)

    L’vov, P. E.; Svetukhin, V. V.

    2018-06-01

    In this study, we simulate nucleation in binary alloys with respect to thermal fluctuations of the alloy composition. The simulation is based on the Cahn–Hilliard–Cook equation. We have considered the influence of some fluctuation parameters (wave vector cutoff and noise amplitude) on the kinetics of nucleation and growth of minority phase precipitates. The obtained results are validated by the example of iron–chromium alloys.

  9. Grain nucleation and growth during phase transformations

    DEFF Research Database (Denmark)

    Offerman, S.E.; Dijk, N.H. van; Sietsma, J.

    2002-01-01

    of individual grains. Our measurements show that the activation energy for grain nucleation is at least two orders of magnitude smaller than that predicted by thermodynamic models. The observed growth curves of the newly formed grains confirm the parabolic growth model but also show three fundamentally...... different types of growth. Insight into the grain nucleation and growth mechanisms during phase transformations contributes to the development of materials with optimal mechanical properties....

  10. Nucleation versus instability race in strained films

    Science.gov (United States)

    Liu, Kailang; Berbezier, Isabelle; David, Thomas; Favre, Luc; Ronda, Antoine; Abbarchi, Marco; Voorhees, Peter; Aqua, Jean-Noël

    2017-10-01

    Under the generic term "Stranski-Krastanov" are grouped two different growth mechanisms of SiGe quantum dots. They result from the self-organized Asaro-Tiller-Grinfel'd (ATG) instability at low strain, while at high strain, from a stochastic nucleation. While these regimes are well known, we elucidate here the origin of the transition between these two pathways thanks to a joint theoretical and experimental work. Nucleation is described within the master equation framework. By comparing the time scales for ATG instability development and three-dimensional (3D) nucleation onset, we demonstrate that the transition between these two regimes is simply explained by the crossover between their divergent evolutions. Nucleation exhibits a strong exponential deviation at low strain while ATG behaves only algebraically. The associated time scale varies with exp(1 /x4) for nucleation, while it only behaves as 1 /x8 for the ATG instability. Consequently, at high (low) strain, nucleation (instability) occurs faster and inhibits the alternate evolution. It is then this different kinetic evolution which explains the transition from one regime to the other. Such a kinetic view of the transition between these two 3D growth regimes was not provided before. The crossover between nucleation and ATG instability is found to occur both experimentally and theoretically at a Ge composition around 50% in the experimental conditions used here. Varying the experimental conditions and/or the system parameters does not allow us to suppress the transition. This means that the SiGe quantum dots always grow via ATG instability at low strain and nucleation at high strain. This result is important for the self-organization of quantum dots.

  11. New mechanism for bubble nucleation: Classical transitions

    International Nuclear Information System (INIS)

    Easther, Richard; Giblin, John T. Jr; Hui Lam; Lim, Eugene A.

    2009-01-01

    Given a scalar field with metastable minima, bubbles nucleate quantum mechanically. When bubbles collide, energy stored in the bubble walls is converted into kinetic energy of the field. This kinetic energy can facilitate the classical nucleation of new bubbles in minima that lie below those of the 'parent' bubbles. This process is efficient and classical, and changes the dynamics and statistics of bubble formation in models with multiple vacua, relative to that derived from quantum tunneling.

  12. Nucleation, growth and evolution of calcium phosphate films on calcite.

    Science.gov (United States)

    Naidu, Sonia; Scherer, George W

    2014-12-01

    Marble, a stone composed of the mineral calcite, is subject to chemically induced weathering in nature due to its relatively high dissolution rate in acid rain. To protect monuments and sculpture from corrosion, we are investigating the application of thin layers of hydroxyapatite (HAP) onto marble. The motivation for using HAP is its low dissolution rate and crystal and lattice compatibility with calcite. A mild, wet chemical synthesis route, in which diammonium hydrogen phosphate salt was reacted with marble, alone and with cationic and anionic precursors under different reaction conditions, was used to produce inorganic HAP layers on marble. Nucleation and growth on the calcite substrate was studied, as well as metastable phase evolution, using scanning electron microscopy, grazing incidence X-ray diffraction, and atomic force microscopy. Film nucleation was enhanced by surface roughness. The rate of nucleation and the growth rate of the film increased with cationic (calcium) and anionic (carbonate) precursor additions. Calcium additions also influenced phase formation, introducing a metastable phase (octacalcium phosphate) and a different phase evolution sequence. Copyright © 2014 Elsevier Inc. All rights reserved.

  13. Ion implantation induced martensite nucleation in SUS301 steel

    International Nuclear Information System (INIS)

    Kinoshita, Hiroshi; Takahashi, Heishichiro; Gustiono, Dwi; Sakaguchi, Norihito; Shibayama, Tamaki; Watanabe, Seiichi

    2007-01-01

    Phase transformation behaviors of the austenitic 301 stainless steel was studied under Fe + , Ti + and Ar + ions implantation at room temperature with 100, 200 and 300 keV up to fluence of 1x10 21 ions/m 2 and the microstructures were observed by means of transmission electron microscopy (TEM). The plane and cross-sectional observations of the implanted specimen showed that the induced-phases due to implantation from the γ matrix phase were identified as α' martensite phases with the orientation relationship of (11-bar0) α parallel (111-bar) γ and [111] α parallel [011] γ close to the Kurdjumov-Sachs (K-S). The ion implantation induced phases nucleated near the surface region and the depth position of the nucleation changed depending on the ion accelerating energy and ion species. It was also found that the induced marten sites phases nucleate under the influence of the stress distribution, which is introduced due to the concentration of implanted ions, especially due to the stress gradient caused by the corresponding concentration gradient. (author)

  14. Mapping porosity of the deep critical zone in 3D using near-surface geophysics, rock physics modeling, and drilling

    Science.gov (United States)

    Flinchum, B. A.; Holbrook, W. S.; Grana, D.; Parsekian, A.; Carr, B.; Jiao, J.

    2017-12-01

    Porosity is generated by chemical, physical and biological processes that work to transform bedrock into soil. The resulting porosity structure can provide specifics about these processes and can improve understanding groundwater storage in the deep critical zone. Near-surface geophysical methods, when combined with rock physics and drilling, can be a tool used to map porosity over large spatial scales. In this study, we estimate porosity in three-dimensions (3D) across a 58 Ha granite catchment. Observations focus on seismic refraction, downhole nuclear magnetic resonance logs, downhole sonic logs, and samples of core acquired by push coring. We use a novel petrophysical approach integrating two rock physics models, a porous medium for the saprolite and a differential effective medium for the fractured rock, that drive a Bayesian inversion to calculate porosity from seismic velocities. The inverted geophysical porosities are within about 0.05 m3/m3 of lab measured values. We extrapolate the porosity estimates below seismic refraction lines to a 3D volume using ordinary kriging to map the distribution of porosity in 3D up to depths of 80 m. This study provides a unique map of porosity on scale never-before-seen in critical zone science. Estimating porosity on these large spatial scales opens the door for improving and understanding the processes that shape the deep critical zone.

  15. A classical view on nonclassical nucleation.

    Science.gov (United States)

    Smeets, Paul J M; Finney, Aaron R; Habraken, Wouter J E M; Nudelman, Fabio; Friedrich, Heiner; Laven, Jozua; De Yoreo, James J; Rodger, P Mark; Sommerdijk, Nico A J M

    2017-09-19

    Understanding and controlling nucleation is important for many crystallization applications. Calcium carbonate (CaCO 3 ) is often used as a model system to investigate nucleation mechanisms. Despite its great importance in geology, biology, and many industrial applications, CaCO 3 nucleation is still a topic of intense discussion, with new pathways for its growth from ions in solution proposed in recent years. These new pathways include the so-called nonclassical nucleation mechanism via the assembly of thermodynamically stable prenucleation clusters, as well as the formation of a dense liquid precursor phase via liquid-liquid phase separation. Here, we present results from a combined experimental and computational investigation on the precipitation of CaCO 3 in dilute aqueous solutions. We propose that a dense liquid phase (containing 4-7 H 2 O per CaCO 3 unit) forms in supersaturated solutions through the association of ions and ion pairs without significant participation of larger ion clusters. This liquid acts as the precursor for the formation of solid CaCO 3 in the form of vaterite, which grows via a net transfer of ions from solution according to z Ca 2+ + z CO 3 2- → z CaCO 3 The results show that all steps in this process can be explained according to classical concepts of crystal nucleation and growth, and that long-standing physical concepts of nucleation can describe multistep, multiphase growth mechanisms.

  16. Critical Surface Parameters for the Oxidative Coupling of Methane over the Mn-Na-W/SiO2 Catalyst.

    Science.gov (United States)

    Hayek, Naseem S; Lucas, Nishita S; Warwar Damouny, Christine; Gazit, Oz M

    2017-11-22

    The work here presents a thorough evaluation of the effect of Mn-Na-W/SiO 2 catalyst surface parameters on its performance in the oxidative coupling of methane (OCM). To do so, we used microporous dealuminated β-zeolite (Zeo), or mesoporous SBA-15 (SBA), or macroporous fumed silica (Fum) as precursors for catalyst preparation, together with Mn nitrate, Mn acetate and Na 2 WO 4 . Characterizing the catalysts by inductively coupled plasma-optical emission spectroscopy, N 2 physisorption, X-ray diffraction, high-resolution scanning electron microscopy-energy-dispersive spectroscopy, X-ray photoelectron spectroscopy, and catalytic testing enabled us to identify critical surface parameters that govern the activity and C 2 selectivity of the Mn-Na-W/SiO 2 catalyst. Although the current paradigm views the phase transition of silica to α-cristobalite as the critical step in obtaining dispersed and stable metal sites, we show that the choice of precursors is equally or even more important with respect to tailoring the right surface properties. Specifically, the SBA-based catalyst, characterized by relatively closed surface porosity, demonstrated low activity and low C 2 selectivity. By contrast, for the same composition, the Zeo-based catalyst showed an open surface pore structure, which translated up to fourfold higher activity and enhanced selectivity. By varying the overall composition of the Zeo catalysts, we show that reducing the overall W concentration reduces the size of the Na 2 WO 4 species and increases the catalytic activity linearly as much as fivefold higher than the SBA catalyst. This linear dependence correlates well to the number of interfaces between the Na 2 WO 4 and Mn 2 O 3 species. Our results combined with prior studies lead us to single out the interface between Na 2 WO 4 and Mn 2 O 3 as the most probable active site for OCM using this catalyst. Synergistic interactions between the various precursors used and the phase transition are discussed in

  17. Cu Isotopic Composition in Surface Environments and in Biological Systems: A Critical Review.

    Science.gov (United States)

    Wang, Zhuhong; Chen, Jiubin; Zhang, Ting

    2017-05-18

    Copper (Cu) is a transition metal and an essential micronutrient for organisms, but also one of the most widespread toxic inorganic contaminants at very high content. The research on Cu isotopes has grown rapidly in the last decade. Hitherto, a large number of studies have been published on the theoretical fractionation mechanisms, experimental data and natural variations of Cu isotopes in variable environments and ecosystems. These studies reported a large variation of δ 65 Cu (-16.49 to +20.04‰) in terrestrial samples and showed that Cu isotopes could be fractionated by various biogeochemical processes to different extent. Several papers have previously reviewed the coupling of Cu and Zn isotope systematics, and we give here a tentative review of the recent publications only on Cu isotopesin variable surface repositories, animals and human beings, with a goal to attract much attention to research on Cu (and other metals) behaviors in the environment and biological systems.

  18. Cu Isotopic Composition in Surface Environments and in Biological Systems: A Critical Review

    Directory of Open Access Journals (Sweden)

    Zhuhong Wang

    2017-05-01

    Full Text Available Copper (Cu is a transition metal and an essential micronutrient for organisms, but also one of the most widespread toxic inorganic contaminants at very high content. The research on Cu isotopes has grown rapidly in the last decade. Hitherto, a large number of studies have been published on the theoretical fractionation mechanisms, experimental data and natural variations of Cu isotopes in variable environments and ecosystems. These studies reported a large variation of δ65Cu (−16.49 to +20.04‰ in terrestrial samples and showed that Cu isotopes could be fractionated by various biogeochemical processes to different extent. Several papers have previously reviewed the coupling of Cu and Zn isotope systematics, and we give here a tentative review of the recent publications only on Cu isotopesin variable surface repositories, animals and human beings, with a goal to attract much attention to research on Cu (and other metals behaviors in the environment and biological systems.

  19. Enabling Highly Effective Boiling from Superhydrophobic Surfaces

    Science.gov (United States)

    Allred, Taylor P.; Weibel, Justin A.; Garimella, Suresh V.

    2018-04-01

    A variety of industrial applications such as power generation, water distillation, and high-density cooling rely on heat transfer processes involving boiling. Enhancements to the boiling process can improve the energy efficiency and performance across multiple industries. Highly wetting textured surfaces have shown promise in boiling applications since capillary wicking increases the maximum heat flux that can be dissipated. Conversely, highly nonwetting textured (superhydrophobic) surfaces have been largely dismissed for these applications as they have been shown to promote formation of an insulating vapor film that greatly diminishes heat transfer efficiency. The current Letter shows that boiling from a superhydrophobic surface in an initial Wenzel state, in which the surface texture is infiltrated with liquid, results in remarkably low surface superheat with nucleate boiling sustained up to a critical heat flux typical of hydrophilic wetting surfaces, and thus upends this conventional wisdom. Two distinct boiling behaviors are demonstrated on both micro- and nanostructured superhydrophobic surfaces based on the initial wetting state. For an initial surface condition in which vapor occupies the interstices of the surface texture (Cassie-Baxter state), premature film boiling occurs, as has been commonly observed in the literature. However, if the surface texture is infiltrated with liquid (Wenzel state) prior to boiling, drastically improved thermal performance is observed; in this wetting state, the three-phase contact line is pinned during vapor bubble growth, which prevents the development of a vapor film over the surface and maintains efficient nucleate boiling behavior.

  20. Interface tracking computations of bubble dynamics in nucleate flow boiling

    International Nuclear Information System (INIS)

    Giustini, G.

    2015-01-01

    The boiling process is of utter importance for the design and operation of water-cooled nuclear reactors. Despite continuous effort over the past decades, a fully mechanistic model of boiling in the presence of a solid surface has not yet been achieved. Uncertainties exist at fundamental level, since the microscopic phenomena governing nucleate boiling are still not understood, and as regards 'component scale' modelling, which relies heavily on empirical representations of wall boiling. Accurate models of these phenomena at sub-milli-metric scale are capable of elucidating the various processes and to produce quantitative data needed for up-scaling. Within this context, Direct Numerical Simulation (DNS) represents a powerful tool for CFD analysis of boiling flows. In this contribution, DNS coupled with an Interface Tracking method (Y. Sato, B. Niceno, Journal of Computational Physics, Volume 249, 15 September 2013, Pages 127-161) are used to analyse the hydrodynamics and heat transfer associated with heat diffusion controlled bubble growth at a solid substrate during nucleate flow boiling. The growth of successive bubbles from a single nucleation site is simulated with a computational model that includes heat conduction in the solid substrate and evaporation from the liquid film (micro-layer) present beneath the bubble. Bubble evolution is investigated and the additional (with respect to single phase convection) heat transfer mechanisms due to the ebullition cycle are quantified. The simulations show that latent heat exchange due to evaporation in the micro-layer and sensible heat exchange during the waiting time after bubble departure are the main heat transfer mechanisms. It is found that the presence of an imposed flow normal to the bubble rising path determines a complex velocity and temperature distribution near the nucleation site. This conditions can result in bubble sliding, and influence bubble shape, departure diameter and departure frequency

  1. Vapor phase nucleation of the short-chain n-alkanes (n-pentane, n-hexane and n-heptane): Experiments and Monte Carlo simulations

    Science.gov (United States)

    Ogunronbi, Kehinde E.; Sepehri, Aliasghar; Chen, Bin; Wyslouzil, Barbara E.

    2018-04-01

    We measured the nucleation rates of n-pentane through n-heptane in a supersonic nozzle at temperatures ranging from ca. 109 K to 168 K. For n-pentane and n-hexane, these are the first nucleation rate measurements that have been made, and the trends in the current data agree well with those in the earlier work of Ghosh et al. [J. Chem. Phys. 132, 024307 (2010)] for longer chain alkanes. Complementary Monte Carlo simulations, using the transferable potentials for phase equilibria-united atom potentials, suggest that despite the high degree of supercooling, the critical clusters remain liquid like under experimental conditions for n-pentane through n-heptane, but adopt more ordered structures for n-octane and n-nonane. For all three alkanes, the experimental and simulated nucleation rates are offset by ˜3 orders of magnitude when plotted as a function of ln S/(Tc/T - 1)1.5. Explicitly accounting for the surface tension difference between the real and model substances, or alternatively using the Hale [Phys. Rev. A 33, 4156 (1986); Metall. Mater. Trans. A 23, 1863 (1992)] scaling parameter, Ω, consistent with the model potential, increases the offset to ˜6 orders of magnitude.

  2. A method for analyzing the non-stationary nucleation and overall transition kinetics: A case of water

    International Nuclear Information System (INIS)

    Mokshin, Anatolii V.; Galimzyanov, Bulat N.

    2014-01-01

    We present the statistical method as a direct extension of the mean first-passage time concept to the analysis of molecular dynamics simulation data of a phase transformation. According to the method, the mean first-passage time trajectories for the first (i = 1) as well as for the subsequent (i = 2, 3, 4,…) nucleation events should be extracted that allows one to calculate the time-dependent nucleation rate, the critical value of the order parameter (the critical size), the waiting times for the nucleation events, and the growth law of the nuclei – i.e., all the terms, which are usually necessary to characterize the overall transition kinetics. There are no restrictions in the application of the method by the specific thermodynamic regions; and the nucleation rate parameters are extracted according to their basic definitions. The method differs from the Wedekind-Bartell scheme and its modification [A. V. Mokshin and B. N. Galimzyanov, J. Phys. Chem. B 116, 11959 (2012)], where the passage-times for the first (largest) nucleus are evaluated only and where the average waiting time for the first nucleation event is accessible instead of the true steady-state nucleation time scale. We demonstrate an efficiency of the method by its application to the analysis of the vapor-to-liquid transition kinetics in water at the different temperatures. The nucleation rate/time characteristics and the droplet growth parameters are computed on the basis of the coarse-grained molecular dynamics simulation data

  3. Locating Critical Circular and Unconstrained Failure Surface in Slope Stability Analysis with Tailored Genetic Algorithm

    Science.gov (United States)

    Pasik, Tomasz; van der Meij, Raymond

    2017-12-01

    This article presents an efficient search method for representative circular and unconstrained slip surfaces with the use of the tailored genetic algorithm. Searches for unconstrained slip planes with rigid equilibrium methods are yet uncommon in engineering practice, and little publications regarding truly free slip planes exist. The proposed method presents an effective procedure being the result of the right combination of initial population type, selection, crossover and mutation method. The procedure needs little computational effort to find the optimum, unconstrained slip plane. The methodology described in this paper is implemented using Mathematica. The implementation, along with further explanations, is fully presented so the results can be reproduced. Sample slope stability calculations are performed for four cases, along with a detailed result interpretation. Two cases are compared with analyses described in earlier publications. The remaining two are practical cases of slope stability analyses of dikes in Netherlands. These four cases show the benefits of analyzing slope stability with a rigid equilibrium method combined with a genetic algorithm. The paper concludes by describing possibilities and limitations of using the genetic algorithm in the context of the slope stability problem.

  4. Monocyte and lymphocyte surface molecules in severe sepsis and non-septic critically ill Patients.

    Science.gov (United States)

    Jämsä, Joel; Syrjälä, Hannu; Huotari, Virva; Savolainen, Eeva-Riitta; Ala-Kokko, Tero

    2017-06-01

    The aim of the present study was to investigate whether expression of monocyte and lymphocyte surface molecules differs between patients with severe sepsis and non-septic patients treated in the intensive care unit (ICU). The expression of monocyte CD14, CD40, CD80 and HLA-DR, and lymphocyte CD69 were analyzed using quantitative flow cytometry on three consecutive days in 27 patients with severe sepsis and in 15 non-septic patients. Receiver operating characteristic analyses were performed and each corresponding area under the curve (AUC) was determined. The results showed that the expression levels of CD40 on monocytes and CD69 on CD4+ T cells and on natural killer (NK) cells were highest in patients with severe sepsis (p sepsis and positive blood culture compared with those with negative blood culture (p sepsis detection were 0.836 for CD40, 0.872 for CD69 on NK cells, and 0.795 for CD69 on CD4+ T cells. These findings suggest that monocyte CD40 and CD69 on NK cells and CD4+ T cells could prove useful for new approaches in the identification of severe sepsis in the ICU. © 2017 APMIS. Published by John Wiley & Sons Ltd.

  5. Outer surface protein B is critical for Borrelia burgdorferi adherence and survival within Ixodes ticks.

    Directory of Open Access Journals (Sweden)

    Girish Neelakanta

    2007-03-01

    Full Text Available Survival of Borrelia burgdorferi in ticks and mammals is facilitated, at least in part, by the selective expression of lipoproteins. Outer surface protein (Osp A participates in spirochete adherence to the tick gut. As ospB is expressed on a bicistronic operon with ospA, we have now investigated the role of OspB by generating an OspB-deficient B. burgdorferi and examining its phenotype throughout the spirochete life cycle. Similar to wild-type isolates, the OspB-deficient B. burgdorferi were able to readily infect and persist in mice. OspB-deficient B. burgdorferi were capable of migrating to the feeding ticks but had an impaired ability to adhere to the tick gut and survive within the vector. Furthermore, the OspB-deficient B. burgdorferi bound poorly to tick gut extracts. The complementation of the OspB-deficient spirochete in trans, with a wild-type copy of ospB gene, restored its ability to bind tick gut. Taken together, these data suggest that OspB has an important role within Ixodes scapularis and that B. burgdorferi relies upon multiple genes to efficiently persist in ticks.

  6. Correlation between thermodynamic anomalies and pathways of ice nucleation in supercooled water

    International Nuclear Information System (INIS)

    Singh, Rakesh S.; Bagchi, Biman

    2014-01-01

    The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the parent metastable phase fails to take into account the influence of other metastable phases having density/order intermediate between the parent metastable phase and the final stable phase. This lacuna can be more serious than capillary approximation or spherical shape assumption made in CNT. This issue is particularly significant in ice nucleation because liquid water shows rich phase diagram consisting of two (high and low density) liquid phases in supercooled state. The explanations of thermodynamic and dynamic anomalies of supercooled water often invoke the possible influence of a liquid-liquid transition between two metastable liquid phases. To investigate both the role of thermodynamic anomalies and presence of distinct metastable liquid phases in supercooled water on ice nucleation, we employ density functional theoretical approach to find nucleation free energy barrier in different regions of phase diagram. The theory makes a number of striking predictions, such as a dramatic lowering of nucleation barrier due to presence of a metastable intermediate phase and crossover in the dependence of free energy barrier on temperature near liquid-liquid critical point. These predictions can be tested by computer simulations as well as by controlled experiments

  7. Attainment of unstable β nucleation of glycine in presence of L-tyrosine and its analytical interpretation-A combined approach

    Science.gov (United States)

    Renuka Devi, K.; Srinivasan, K.

    2015-05-01

    The ability of L-tyrosine molecules to act as a template and to facilitate the nucleation of unstable β polymorph in the solution has been revealed through in-situ nucleation study. This nucleation of β occurs along with the existing α nucleation at the critical concentration of additive in the solution. The presence of L-tyrosine molecules lowers the inherent barrier that exists for β nucleation in the solution. No nucleation of γ was observed over the entire range of concentrations studied. The molecular recognition capability and stereo selective inhibitory action of the added L-tyrosine molecules towards glycine molecule have been successfully revealed in terms of habit modification observed in the nucleated polymorphs. In the case of α polymorph, L-tyrosine induces a change in the morphology along the enantiopolar -b direction while in the case of β polymorph, habit modification from needle to plate like structure is observed. With the increase in time span, solution mediated phase transformation from β to α polymorph has been observed in the solution. Analytically the nucleation parameters of α and β polymorphs were estimated based on Classical Nucleation Theory. Form of crystallization of the nucleated polymorphs of glycine was confirmed by a powder x-ray diffraction analysis.

  8. Stabilization of Leidenfrost vapour layer by textured superhydrophobic surfaces

    KAUST Repository

    Vakarelski, Ivan Uriev

    2012-09-12

    In 1756, Leidenfrost observed that water drops skittered on a sufficiently hot skillet, owing to levitation by an evaporative vapour film. Such films are stable only when the hot surface is above a critical temperature, and are a central phenomenon in boiling. In this so-called Leidenfrost regime, the low thermal conductivity of the vapour layer inhibits heat transfer between the hot surface and the liquid. When the temperature of the cooling surface drops below the critical temperature, the vapour film collapses and the system enters a nucleate-boiling regime, which can result in vapour explosions that are particularly detrimental in certain contexts, such as in nuclear power plants. The presence of these vapour films can also reduce liquid-solid drag. Here we show how vapour film collapse can be completely suppressed at textured superhydrophobic surfaces. At a smooth hydrophobic surface, the vapour film still collapses on cooling, albeit at a reduced critical temperature, and the system switches explosively to nucleate boiling. In contrast, at textured, superhydrophobic surfaces, the vapour layer gradually relaxes until the surface is completely cooled, without exhibiting a nucleate-boiling phase. This result demonstrates that topological texture on superhydrophobic materials is critical in stabilizing the vapour layer and thus in controlling-by heat transfer-the liquid-gas phase transition at hot surfaces. This concept can potentially be applied to control other phase transitions, such as ice or frost formation, and to the design of low-drag surfaces at which the vapour phase is stabilized in the grooves of textures without heating. © 2012 Macmillan Publishers Limited. All rights reserved.

  9. Stabilization of Leidenfrost vapour layer by textured superhydrophobic surfaces

    KAUST Repository

    Vakarelski, Ivan Uriev; Patankar, Neelesh A.; Marston, Jeremy; Chan, Derek Y C; Thoroddsen, Sigurdur T

    2012-01-01

    In 1756, Leidenfrost observed that water drops skittered on a sufficiently hot skillet, owing to levitation by an evaporative vapour film. Such films are stable only when the hot surface is above a critical temperature, and are a central phenomenon in boiling. In this so-called Leidenfrost regime, the low thermal conductivity of the vapour layer inhibits heat transfer between the hot surface and the liquid. When the temperature of the cooling surface drops below the critical temperature, the vapour film collapses and the system enters a nucleate-boiling regime, which can result in vapour explosions that are particularly detrimental in certain contexts, such as in nuclear power plants. The presence of these vapour films can also reduce liquid-solid drag. Here we show how vapour film collapse can be completely suppressed at textured superhydrophobic surfaces. At a smooth hydrophobic surface, the vapour film still collapses on cooling, albeit at a reduced critical temperature, and the system switches explosively to nucleate boiling. In contrast, at textured, superhydrophobic surfaces, the vapour layer gradually relaxes until the surface is completely cooled, without exhibiting a nucleate-boiling phase. This result demonstrates that topological texture on superhydrophobic materials is critical in stabilizing the vapour layer and thus in controlling-by heat transfer-the liquid-gas phase transition at hot surfaces. This concept can potentially be applied to control other phase transitions, such as ice or frost formation, and to the design of low-drag surfaces at which the vapour phase is stabilized in the grooves of textures without heating. © 2012 Macmillan Publishers Limited. All rights reserved.

  10. Heterogeneous ice nucleation of viscous secondary organic aerosol produced from ozonolysis of α-pinene

    Science.gov (United States)

    Ignatius, Karoliina; Kristensen, Thomas B.; Järvinen, Emma; Nichman, Leonid; Fuchs, Claudia; Gordon, Hamish; Herenz, Paul; Hoyle, Christopher R.; Duplissy, Jonathan; Garimella, Sarvesh; Dias, Antonio; Frege, Carla; Höppel, Niko; Tröstl, Jasmin; Wagner, Robert; Yan, Chao; Amorim, Antonio; Baltensperger, Urs; Curtius, Joachim; Donahue, Neil M.; Gallagher, Martin W.; Kirkby, Jasper; Kulmala, Markku; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Tomé, Antonio; Virtanen, Annele; Worsnop, Douglas; Stratmann, Frank

    2016-05-01

    There are strong indications that particles containing secondary organic aerosol (SOA) exhibit amorphous solid or semi-solid phase states in the atmosphere. This may facilitate heterogeneous ice nucleation and thus influence cloud properties. However, experimental ice nucleation studies of biogenic SOA are scarce. Here, we investigated the ice nucleation ability of viscous SOA particles. The SOA particles were produced from the ozone initiated oxidation of α-pinene in an aerosol chamber at temperatures in the range from -38 to -10 °C at 5-15 % relative humidity with respect to water to ensure their formation in a highly viscous phase state, i.e. semi-solid or glassy. The ice nucleation ability of SOA particles with different sizes was investigated with a new continuous flow diffusion chamber. For the first time, we observed heterogeneous ice nucleation of viscous α-pinene SOA for ice saturation ratios between 1.3 and 1.4 significantly below the homogeneous freezing limit. The maximum frozen fractions found at temperatures between -39.0 and -37.2 °C ranged from 6 to 20 % and did not depend on the particle surface area. Global modelling of monoterpene SOA particles suggests that viscous biogenic SOA particles are indeed present in regions where cirrus cloud formation takes place. Hence, they could make up an important contribution to the global ice nucleating particle budget.

  11. Nucleation of microwave plasma CVD diamond on molybdenum (Mo) substrate

    International Nuclear Information System (INIS)

    Inderjeet, K.; Ramesh, S.

    2000-01-01

    Molybdenum is a metal, which is gaining increasing significance in industrial applications. The main use of Mo is as all alloying element added in small amounts to steel, irons and non- ferrous alloys in order to enhance the strength, toughness and wear resistance. Mo is also vastly being employed in the automotive and aircraft industries, mainly due to its low coefficient of friction. Diamond, on be other hand, is a unique material for innumerable applications because of its usual combination of physical and chemical properties. Several potential applications can be anticipated for diamond in many sectors including electronics, optics, as protective corrosion resistant coatings, cutting tools, etc. With the enhancement in science and technology, diamond microcrystals and thin films are now being produced from the vapour phase by a variety of chemical vapour deposition (CVD) techniques; such as microwave plasma CVD. With such technology being made available, it is envisage that diamond-coated molybdenum would further enhance the performance and to open up new avenue for Mo in various industries. Therefore, it is the aim of the present work to study the nucleation and growth of diamond particles on Mo surface by employing microwave plasma CVD (MAPCVD). In the present work, diamond deposition was carried out in several stages by varying the deposition distance. The nucleation and growth rate were studied using scanning electron microscopy (SEM). In addition, the existence of diamond was verified by X-ray diffraction (XRD) analysis. It has been found that the nucleation and growth rate of diamond particles were influenced by the deposition height between the substrate and plasma. Under the optimum condition, well defined diamond crystallites distributed homogeneously throughout the surface, could be obtained. Some of the important parameters controlling the deposition and growth of diamond particles on Mo surface are discussed. (author)

  12. Equivalence of chain conformations in the surface region of a polymer melt and a single Gaussian chain under critical conditions.

    Science.gov (United States)

    Skvortsov, A M; Leermakers, F A M; Fleer, G J

    2013-08-07

    In the melt polymer conformations are nearly ideal according to Flory's ideality hypothesis. Silberberg generalized this statement for chains in the interfacial region. We check the Silberberg argument by analyzing the conformations of a probe chain end-grafted at a solid surface in a sea of floating free chains of concentration φ by the self-consistent field (SCF) method. Apart from the grafting, probe chain and floating chains are identical. Most of the results were obtained for a standard SCF model with freely jointed chains on a six-choice lattice, where immediate step reversals are allowed. A few data were generated for a five-choice lattice, where such step reversals are forbidden. These coarse-grained models describe the equilibrium properties of flexible atactic polymer chains at the scale of the segment length. The concentration was varied over the whole range from φ = 0 (single grafted chain) to φ = 1 (probe chain in the melt). The number of contacts with the surface, average height of the free end and its dispersion, average loop and train length, tail size distribution, end-point and overall segment distributions were calculated for a grafted probe chain as a function of φ, for several chain lengths and substrate∕polymer interactions, which were varied from strong repulsion to strong adsorption. The computations show that the conformations of the probe chain in the melt do not depend on substrate∕polymer interactions and are very similar to the conformations of a single end-grafted chain under critical conditions, and can thus be described analytically. When the substrate∕polymer interaction is fixed at the value corresponding to critical conditions, all equilibrium properties of a probe chain are independent of φ, over the whole range from a dilute solution to the melt. We believe that the conformations of all flexible chains in the surface region of the melt are close to those of an appropriate single chain in critical conditions, provided

  13. Using rheometry for determining nucleation density in colored system containing a nucleation agent

    NARCIS (Netherlands)

    Ma, Z.; Steenbakkers, R.J.A.; Giboz, J.; Peters, G.W.M.

    2011-01-01

    A new suspension-based rheological method was applied to study experimentally the crystallization of a nucleating agent (NA) filled isotactic polypropylene. This method allows for determination of point-nucleation densities where other methods fail. For example, optical microscopy can fail because

  14. Cytoplasmic Nucleation and Atypical Branching Nucleation Generate Endoplasmic Microtubules in Physcomitrella patens[OPEN

    Science.gov (United States)

    Nakaoka, Yuki; Kimura, Akatsuki; Tani, Tomomi; Goshima, Gohta

    2015-01-01

    The mechanism underlying microtubule (MT) generation in plants has been primarily studied using the cortical MT array, in which fixed-angled branching nucleation and katanin-dependent MT severing predominate. However, little is known about MT generation in the endoplasm. Here, we explored the mechanism of endoplasmic MT generation in protonemal cells of Physcomitrella patens. We developed an assay that utilizes flow cell and oblique illumination fluorescence microscopy, which allowed visualization and quantification of individual MT dynamics. MT severing was infrequently observed, and disruption of katanin did not severely affect MT generation. Branching nucleation was observed, but it showed markedly variable branch angles and was occasionally accompanied by the transport of nucleated MTs. Cytoplasmic nucleation at seemingly random locations was most frequently observed and predominated when depolymerized MTs were regrown. The MT nucleator γ-tubulin was detected at the majority of the nucleation sites, at which a single MT was generated in random directions. When γ-tubulin was knocked down, MT generation was significantly delayed in the regrowth assay. However, nucleation occurred at a normal frequency in steady state, suggesting the presence of a γ-tubulin-independent backup mechanism. Thus, endoplasmic MTs in this cell type are generated in a less ordered manner, showing a broader spectrum of nucleation mechanisms in plants. PMID:25616870

  15. Droplet and bubble nucleation modeled by density gradient theory – cubic equation of state versus saft model

    Directory of Open Access Journals (Sweden)

    Hrubý Jan

    2012-04-01

    Full Text Available The study presents some preliminary results of the density gradient theory (GT combined with two different equations of state (EoS: the classical cubic equation by van der Waals and a recent approach based on the statistical associating fluid theory (SAFT, namely its perturbed-chain (PC modification. The results showed that the cubic EoS predicted for a given surface tension the density profile with a noticeable defect. Bulk densities predicted by the cubic EoS differed as much as by 100 % from the reference data. On the other hand, the PC-SAFT EoS provided accurate results for density profile and both bulk densities in the large range of temperatures. It has been shown that PC-SAFT is a promising tool for accurate modeling of nucleation using the GT. Besides the basic case of a planar phase interface, the spherical interface was analyzed to model a critical cluster occurring either for nucleation of droplets (condensation or bubbles (boiling, cavitation. However, the general solution for the spherical interface will require some more attention due to its numerical difficulty.

  16. A critical analysis of one standard and five methods to monitor surface wetness and time-of-wetness

    Science.gov (United States)

    Camuffo, Dario; della Valle, Antonio; Becherini, Francesca

    2018-05-01

    Surface wetness is a synergistic factor to determine atmospheric corrosion, monument weathering, mould growth, sick buildings, etc. However, its detection and monitoring are neither easy nor homogeneous, for a number of factors that may affect readings. Various types of methods and sensors, either commercial or prototypes built in the lab, have been investigated and compared, i.e. the international standard ISO 9223 to evaluate corrosivity after wetness and time-of-wetness; indirect evaluation of wetness, based on the dew point calculated after the output of temperature and relative humidity sensors and direct measurements by means of capacitive wetness sensors, safety sensors, rain sensors (also known as leaf wetness sensors), infrared reflection sensors and fibre optic sensors. A comparison between the different methods is presented, specifying physical principles, forms of wetting to which they are respondent (i.e. condensation, ice melting, splashing drops, percolation and capillary rise), critical factors, use and cost.

  17. Nucleation from seawater emissions during mesocosm experiments

    Science.gov (United States)

    Rose, Clémence; Culot, Anais; Pey, Jorge; Schwier, Allison; Mas, Sébastien; Charriere, Bruno; Sempéré, Richard; Marchand, Nicolas; D'Anna, Barbara; Sellegri, Karine

    2015-04-01

    Nucleation and new particle formation in the marine atmosphere is usually associated to the presence of macroalgea emerged at low tides in coastal areas, while these processes were very rarely detected away from coastlines. In the present study, we evidence the formation of new particles from the 1 nm size above the seawater surface in the absence of any macroalgea population. Within the SAM project (Sources of marine Aerosol in the Mediterranean),seawater mesocosms experiments were deployed in May 2013 at the STARESO in western Corsica, with the goal of investigating the relationship between marine aerosol emissions and the seawater biogeochemical properties. Three mesocosms imprisoned 3,3 m3 of seawater each and their emerged part was flushed with aerosol-filtered natural air. One of these mesocosms was left unchanged as control and the two others were enriched by addition of nitrates and phosphates respecting Redfield ratio (N:P = 16) in order to create different levels of phytoplanctonic activities. We followed both water and air characteristics of three mesocosms during a period of three weeks by using online water and atmospheric probes as well as seawater daily samples for chemical and biological analysis. Secondary new particle formation was followed on-line in the emerged parts of the mesocosms, using a SMPS for the size distribution above 6 nm and a Particle Size Magnifyer (PSM) for the number of cluster particles between 1 and 6 nm. We will present how the cluster formation rates and early growth rates relate to the gaz-phase emissions from the seawater and to its biogeochemical properties. Aknowledgemnts: The authors want to acknowledge the financial support of the ANR "Source of marine Aerosol in the Mediterranean" (SAM), and the support of MISTRAL CHARMEX and MERMEX programs.

  18. Modelling the stochastic behaviour of primary nucleation.

    Science.gov (United States)

    Maggioni, Giovanni Maria; Mazzotti, Marco

    2015-01-01

    We study the stochastic nature of primary nucleation and how it manifests itself in a crystallisation process at different scales and under different operating conditions. Such characteristics of nucleation are evident in many experiments where detection times of crystals are not identical, despite identical experimental conditions, but instead are distributed around an average value. While abundant experimental evidence has been reported in the literature, a clear theoretical understanding and an appropriate modelling of this feature is still missing. In this contribution, we present two models describing a batch cooling crystallisation, where the interplay between stochastic nucleation and deterministic crystal growth is described differently in each. The nucleation and growth rates of the two models are estimated by a comprehensive set of measurements of paracetamol crystallisation from aqueous solution in a 1 mL vessel [Kadam et al., Chemical Engineering Science, 2012, 72, 10-19]. Both models are applied to the cooling crystallisation process above under different operating conditions, i.e. different volumes, initial concentrations, cooling rates. The advantages and disadvantages of the two approaches are illustrated and discussed, with particular reference to their use across scales of nucleation rate measured in very small crystallisers.

  19. Ice nucleation rates near ˜225 K

    Science.gov (United States)

    Amaya, Andrew J.; Wyslouzil, Barbara E.

    2018-02-01

    We have measured the ice nucleation rates, Jice, in supercooled nano-droplets with radii ranging from 6.6 nm to 10 nm and droplet temperatures, Td, ranging from 225 K to 204 K. The initial temperature of the 10 nm water droplets is ˜250 K, i.e., well above the homogeneous nucleation temperature for micron sized water droplets, TH ˜235 K. The nucleation rates increase systematically from ˜1021 cm-3 s-1 to ˜1022 cm-3 s-1 in this temperature range, overlap with the nucleation rates of Manka et al. [Phys. Chem. Chem. Phys. 14, 4505 (2012)], and suggest that experiments with larger droplets would extrapolate smoothly the rates of Hagen et al. [J. Atmos. Sci. 38, 1236 (1981)]. The sharp corner in the rate data as temperature drops is, however, difficult to match with available theory even if we correct classical nucleation theory and the physical properties of water for the high internal pressure of the nanodroplets.

  20. Nucleation of Quark Matter in Neutron Stars:. Role of Color Superconductivity

    Science.gov (United States)

    Bombaci, Ignazio; Lugones, Germán; Vidaña, Isaac

    2008-02-01

    Pure hadronic compact stars ("neutron stars") above a critical mass Mcr are metastable1,2 for the conversion to quark stars (hybrid or strange stars). This conversion process liberates an enormous amount of energy (Econv ~ 1053 ergs), which could power some of the observed gamma ray bursts.1-3 In cold deleptonized hadronic stars, the conversion process is triggered by the quantum nucleation of a quark matter drop in the stellar center. These drops can be made up of normal (i.e. unpaired) quark matter, or color superconducting quark matter, depending on the details of the equation of state of quark and hadronic matter.4 In this talk, we present the results of recent calculations5 of the effects of color superconductivity on the conversion of hadronic stars to quark stars. In particular, we study the dependence of the critical mass Mcr and conversion energy Econv on the quark-quark pairing gap Δ, the bag constant B, and the surface tension σ of the quark-hadron interface.

  1. Understanding the ice nucleation characteristics of feldspars suspended in solution

    Science.gov (United States)

    Kumar, Anand; Marcolli, Claudia; Kaufmann, Lukas; Krieger, Ulrich; Peter, Thomas

    2017-04-01

    Freezing of liquid droplets and subsequent ice crystal growth affects optical properties of clouds and precipitation. Field measurements show that ice formation in cumulus and stratiform clouds begins at temperatures much warmer than those associated with homogeneous ice nucleation in pure water, which is ascribed to heterogeneous ice nucleation occurring on the foreign surfaces of ice nuclei (IN). Various insoluble particles such as mineral dust, soot, metallic particles, volcanic ash, or primary biological particles have been suggested as IN. Among these the suitability of mineral dusts is best established. The ice nucleation ability of mineral dust particles may be modified when secondary organic or inorganic substances are accumulating on the dust during atmospheric transport. If the coating is completely wetting the mineral dust particles, heterogeneous ice nucleation occurs in immersion mode also below 100 % RH. A previous study by Zobrist et al. (2008) Arizona test dust, silver iodide, nonadecanol and silicon dioxide suspensions in various solutes showed reduced ice nucleation efficiency (in immersion mode) of the particles. Though it is still quite unclear how surface modifications and coatings influence the ice nucleation activity of the components present in natural dust particles at a microphysical scale. To improve our understanding how solute and mineral dust particle surface interaction, we run freezing experiments using a differential scanning calorimeter (DSC) with microcline, sanidine, plagioclase, kaolinite and quartz particles suspended in pure water and solutions containing ammonia, ammonium bisulfate, ammonium sulfate, ammonium chloride, ammonium nitrate, potassium chloride, potassium sulfate, sodium sulfate and sulfuric acid. Methodology Suspensions of mineral dust samples (2 - 5 wt%) are prepared in water with varying solute concentrations (0 - 15 wt%). 20 vol% of this suspension plus 80 vol% of a mixture of 95 wt% mineral oil (Aldrich

  2. Genetic Algorithms and Nucleation in VIH-AIDS transition.

    Science.gov (United States)

    Barranon, Armando

    2003-03-01

    VIH to AIDS transition has been modeled via a genetic algorithm that uses boom-boom principle and where population evolution is simulated with a cellular automaton based on SIR model. VIH to AIDS transition is signed by nucleation of infected cells and low probability of infection are obtained for different mutation rates in agreement with clinical results. A power law is obtained with a critical exponent close to the critical exponent of cubic, spherical percolation, colossal magnetic resonance, Ising Model and liquid-gas phase transition in heavy ion collisions. Computations were carried out at UAM-A Supercomputing Lab and author acknowledges financial support from Division of CBI at UAM-A.

  3. Atomistic simulation of dislocation nucleation barriers from cracktips in α-Fe

    International Nuclear Information System (INIS)

    Gordon, Peter A; Neeraj, T; Luton, Michael J

    2008-01-01

    In this work, we demonstrate that activation pathways for dislocation loop nucleation from cracktips can be explored with full atomistic detail using an efficient form of the nudged elastic band method. The approach is demonstrated in detail with an example of edge emission from an Fe crack under mode II loading, wherein activation energy barriers are obtained as a function of sub-critical stress intensity and the energy barriers for loop formation are compared with 2D calculations. Activation energy barriers are also computed for an intrinsically ductile cracktip orientation under mode I loading, from which we can infer the frequency of nucleation from the cracktip

  4. ON THE PRECISION OF THE NUCLEATOR

    Directory of Open Access Journals (Sweden)

    Javier González-Villa

    2017-06-01

    Full Text Available The nucleator is a design unbiased method of local stereology for estimating the volume of a bounded object. The only information required lies in the intersection of the object with an isotropic random ray emanating from a fixed point (called the pivotal point associated with the object. For instance, the volume of a neuron can be estimated from a random ray emanating from its nucleolus. The nucleator is extensively used in biosciences because it is efficient and easy to apply. The estimator variance can be reduced by increasing the number of rays. In an earlier paper a systematic sampling design was proposed, and theoretical variance predictors were derived, for the corresponding volume estimator. Being the only variance predictors hitherto available for the nucleator, our basic goal was to check their statistical performance by means of Monte Carlo resampling on computer reconstructions of real objects. As a plus, the empirical distribution of the volume estimator revealed statistical properties of practical relevance.

  5. Trapping crystal nucleation of cholesterol monohydrate

    DEFF Research Database (Denmark)

    Solomonov, I.; Weygand, M.J.; Kjær, K.

    2005-01-01

    Crystalline nucleation of cholesterol at the air-water interface has been studied via grazing incidence x-ray diffraction using synchrotron radiation. The various stages of cholesterol molecular assembly from monolayer to three bilayers incorporating interleaving hydrogen-bonded water layers......, at least initially, an intralayer cholesterol rearrangement in a single-crystal-to-single-crystal transition. The preferred nucleation of the monoclinic phase of cholesterol . H2O followed by transformation to the stable monohydrate phase may be associated with an energetically more stable cholesterol...... bilayer arrangement of the former and a more favorable hydrogen-bonding arrangement of the latter. The relevance of this nucleation process of cholesterol monohydrate to pathological crystallization of cholesterol from cell biomembranes is discussed....

  6. Effect of Air Injection on Nucleation Rates

    DEFF Research Database (Denmark)

    Capellades Mendez, Gerard; Kiil, Søren; Dam-Johansen, Kim

    2017-01-01

    From disruption of the supersaturated solution to improved mass transfer in the crystallizing suspension, the introduction of a moving gas phase in a crystallizer could lead to improved rates of nucleation and crystal growth. In this work, saturated air has been injected to batch crystallizers...... to study the effects on formation of the first crystal and subsequent turbidity buildup. To account for the typically large sample-to-sample variation, nucleation rates were evaluated for a large number of replicates using probability distributions of induction times. The slope and the intercept...... was reduced from 69 to 13 min, and the mean induction time decreased from 128 to 36 min. The effect on aqueous solutions of l-arginine was less apparent, with a detection delay reduction from 15 to 3 min, and no significant changes on the rate of primary nucleation. These results demonstrate the potential...

  7. A variational approach to nucleation simulation.

    Science.gov (United States)

    Piaggi, Pablo M; Valsson, Omar; Parrinello, Michele

    2016-12-22

    We study by computer simulation the nucleation of a supersaturated Lennard-Jones vapor into the liquid phase. The large free energy barriers to transition make the time scale of this process impossible to study by ordinary molecular dynamics simulations. Therefore we use a recently developed enhanced sampling method [Valsson and Parrinello, Phys. Rev. Lett.113, 090601 (2014)] based on the variational determination of a bias potential. We differ from previous applications of this method in that the bias is constructed on the basis of the physical model provided by the classical theory of nucleation. We examine the technical problems associated with this approach. Our results are very satisfactory and will pave the way for calculating the nucleation rates in many systems.

  8. A parameterization of cloud droplet nucleation

    International Nuclear Information System (INIS)

    Ghan, S.J.; Chuang, C.; Penner, J.E.

    1993-01-01

    Droplet nucleation is a fundamental cloud process. The number of aerosols activated to form cloud droplets influences not only the number of aerosols scavenged by clouds but also the size of the cloud droplets. Cloud droplet size influences the cloud albedo and the conversion of cloud water to precipitation. Global aerosol models are presently being developed with the intention of coupling with global atmospheric circulation models to evaluate the influence of aerosols and aerosol-cloud interactions on climate. If these and other coupled models are to address issues of aerosol-cloud interactions, the droplet nucleation process must be adequately represented. Here we introduce a droplet nucleation parametrization that offers certain advantages over the popular Twomey (1959) parameterization

  9. Heterogeneous nucleation of ice in the atmosphere

    International Nuclear Information System (INIS)

    Nicosia, A; Piazza, M; Santachiara, G; Belosi, F

    2017-01-01

    The occurrence of ice-nucleating aerosols in the atmosphere has a profound impact on the properties of clouds, and in turn, influences our understanding on weather and climate. Research on this topic has grown constantly over the last decades, driven by advances in online and offline instruments capable of measuring the characteristics of these cloud-modifying aerosol particles. This article presents different aspects to the understanding of how aerosol particles can trigger the nucleation of ice in clouds. In addition, we present some experimental results obtained with the Dynamic Filter Processing Chamber, an off-line instrument that has been applied extensively in the last years and that circumvents some of the problems related to the measurement of Ice Nucleating Particles properties. (paper)

  10. Nucleation of metastable aragonite CaCO3 in seawater.

    Science.gov (United States)

    Sun, Wenhao; Jayaraman, Saivenkataraman; Chen, Wei; Persson, Kristin A; Ceder, Gerbrand

    2015-03-17

    Predicting the conditions in which a compound adopts a metastable structure when it crystallizes out of solution is an unsolved and fundamental problem in materials synthesis, and one which, if understood and harnessed, could enable the rational design of synthesis pathways toward or away from metastable structures. Crystallization of metastable phases is particularly accessible via low-temperature solution-based routes, such as chimie douce and hydrothermal synthesis, but although the chemistry of the solution plays a crucial role in governing which polymorph forms, how it does so is poorly understood. Here, we demonstrate an ab initio technique to quantify thermodynamic parameters of surfaces and bulks in equilibrium with an aqueous environment, enabling the calculation of nucleation barriers of competing polymorphs as a function of solution chemistry, thereby predicting the solution conditions governing polymorph selection. We apply this approach to resolve the long-standing "calcite-aragonite problem"--the observation that calcium carbonate precipitates as the metastable aragonite polymorph in marine environments, rather than the stable phase calcite--which is of tremendous relevance to biomineralization, carbon sequestration, paleogeochemistry, and the vulnerability of marine life to ocean acidification. We identify a direct relationship between the calcite surface energy and solution Mg:Ca [corrected] ion concentrations, showing that the calcite nucleation barrier surpasses that of metastable aragonite in solutions with Mg:Ca ratios consistent with modern seawater, allowing aragonite to dominate the kinetics of nucleation. Our ability to quantify how solution parameters distinguish between polymorphs marks an important step toward the ab initio prediction of materials synthesis pathways in solution.

  11. Nucleation mechanisms of refined alpha microstructure in beta titanium alloys

    Science.gov (United States)

    Zheng, Yufeng

    Due to a great combination of physical and mechanical properties, beta titanium alloys have become promising candidates in the field of chemical industry, aerospace and biomedical materials. The microstructure of beta titanium alloys is the governing factor that determines their properties and performances, especially the size scale, distribution and volume fraction of precipitate phase in parent phase matrix. Therefore in order to enhance the performance of beta titanium alloys, it is critical to obtain a thorough understanding of microstructural evolution in beta titanium alloys upon various thermal and/or mechanical processes. The present work is focusing on the study of nucleation mechanisms of refined alpha microstructure and super-refined alpha microstructure in beta titanium alloys in order to study the influence of instabilities within parent phase matrix on precipitates nucleation, including compositional instabilities and/or structural instabilities. The current study is primarily conducted in Ti-5Al-5Mo-5V-3Cr (wt%, Ti-5553), a commercial material for aerospace application. Refined and super-refined precipitates microstructure in Ti-5553 are obtained under specific accurate temperature controlled heat treatments. The characteristics of either microstructure are investigated in details using various characterization techniques, such as SEM, TEM, STEM, HRSTEM and 3D atom probe to describe the features of microstructure in the aspect of morphology, distribution, structure and composition. Nucleation mechanisms of refined and super-refined precipitates are proposed in order to fully explain the features of different precipitates microstructure in Ti-5553. The necessary thermodynamic conditions and detailed process of phase transformations are introduced. In order to verify the reliability of proposed nucleation mechanisms, thermodynamic calculation and phase field modeling simulation are accomplished using the database of simple binary Ti-Mo system

  12. Interplay between magnetic quantum criticality, Fermi surface and unconventional superconductivity in UCoGe, URhGe and URu2Si2

    International Nuclear Information System (INIS)

    Bastien, Gael

    2017-01-01

    This thesis is concentrated on the ferromagnetic superconductors UCoGe and URhGe and on the hidden order state in URu 2 Si 2 . In the first part the pressure temperature phase diagram of UCoGe was studied up to 10.5 GPa. Ferromagnetism vanishes at the critical pressure pc≅1 GPa. Unconventional superconductivity and non Fermi liquid behavior can be observed in a broad pressure range around pc. The superconducting upper critical field properties were explained by the suppression of the magnetic fluctuations under field. In the second part the Fermi surfaces of UCoGe and URhGe were investigated by quantum oscillations. In UCoGe four Fermi surface pockets were observed. Under magnetic field successive Lifshitz transitions of the Fermi surface have been detected. The observed Fermi surface pockets in UCoGe evolve smoothly with pressure up to 2.5 GPa and do not show any Fermi surface reconstruction at the critical pressure pc. In URhGe, three heavy Fermi surface pockets were detected by quantum oscillations. In the last part the quantum oscillation study in the hidden order state of URu 2 Si 2 shows a strong g factor anisotropy for two Fermi surface pockets, which is compared to the macroscopic g factor anisotropy extracted from the upper critical field study. (author) [fr

  13. Critical Zone Co-dynamics: Quantifying Interactions between Subsurface, Land Surface, and Vegetation Properties Using UAV and Geophysical Approaches

    Science.gov (United States)

    Dafflon, B.; Leger, E.; Peterson, J.; Falco, N.; Wainwright, H. M.; Wu, Y.; Tran, A. P.; Brodie, E.; Williams, K. H.; Versteeg, R.; Hubbard, S. S.

    2017-12-01

    Improving understanding and modelling of terrestrial systems requires advances in measuring and quantifying interactions among subsurface, land surface and vegetation processes over relevant spatiotemporal scales. Such advances are important to quantify natural and managed ecosystem behaviors, as well as to predict how watershed systems respond to increasingly frequent hydrological perturbations, such as droughts, floods and early snowmelt. Our study focuses on the joint use of UAV-based multi-spectral aerial imaging, ground-based geophysical tomographic monitoring (incl., electrical and electromagnetic imaging) and point-scale sensing (soil moisture sensors and soil sampling) to quantify interactions between above and below ground compartments of the East River Watershed in the Upper Colorado River Basin. We evaluate linkages between physical properties (incl. soil composition, soil electrical conductivity, soil water content), metrics extracted from digital surface and terrain elevation models (incl., slope, wetness index) and vegetation properties (incl., greenness, plant type) in a 500 x 500 m hillslope-floodplain subsystem of the watershed. Data integration and analysis is supported by numerical approaches that simulate the control of soil and geomorphic characteristic on hydrological processes. Results provide an unprecedented window into critical zone interactions, revealing significant below- and above-ground co-dynamics. Baseline geophysical datasets provide lithological structure along the hillslope, which includes a surface soil horizon, underlain by a saprolite layer and the fractured Mancos shale. Time-lapse geophysical data show very different moisture dynamics in various compartments and locations during the winter and growing season. Integration with aerial imaging reveals a significant linkage between plant growth and the subsurface wetness, soil characteristics and the topographic gradient. The obtained information about the organization and

  14. A unified kinetic approach to binary nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Kevrekidis, P.G. [Department of Physics, Rutgers University, 136 Frelinghuysen Road]|[E.O.H.S.I., Rutgers University]|[UMDNJ, 170 Frelinghuysen Road, Piscataway, New Jersey 08854-8019 (United States); Lazaridis, M. [Norwegian Institute for Air Research (NILU), Instittutvein 18, P. O. Box 100, N-2007 Kjeller (Norway); Drossinos, Y. [European Commission, Joint Research Centre, I-21020 Ispra (Vatican City State, Holy See) (Italy); Georgopoulos, P.G. [E.O.H.S.I., Rutgers University]|[UMDNJ, 170 Frelinghuysen Road, Piscataway, New Jersey 08854 (United States)

    1999-11-01

    Two different methods to calculate the steady-state nucleation rate in heteromolecular systems proposed by Stauffer (1976) and Langer (1969) are analyzed. Their mathematical equivalence is explicitly demonstrated, thereby obtaining a generic expression for the rate of binary nucleation. Its numerical evaluation does not entail rotation of the coordinate system at the saddle point, but it only requires data in the natural coordinate system of number fluctuations, namely molecular impingement rates, the droplet free energy and its second order derivatives at the saddle point, and the total density of condensible vapors. {copyright} {ital 1999 American Institute of Physics.}

  15. An experimental study of dislocation loop nucleation

    International Nuclear Information System (INIS)

    Bounaud, J.Y.; Leteurtre, J.

    1975-01-01

    The nucleation of dislocation loops is experimentally studied by observing the demixion of the Burgers vectors of dislocation loops nucleated in copper whiskers irradiated in flexion by fission fragments at room temperature. The demixion of Burgers vectors is observed by the dimensional effects of dislocation loops: after irradiation, the applied stress is removed; the whisker shows a residual strain that is due to loops because, after an annealing treatment to evaporate dislocation loops, each whisker recovers its initial straight shape. Everywhere along the whisker, the radius of curvature is measured and plotted vs the max. applied stress. Estimations of the interstitial and vacancy dislocation loop nuclei are derived [fr

  16. Crystal nucleation in simple and complex fluids.

    Science.gov (United States)

    Oxtoby, David W

    2003-03-15

    The application of density-functional methods from statistical mechanics to the nucleation of crystals from the melt is described. Simple fluids such as metals, with sizes comparable with the range of their attractive forces, are compared with complex fluids such as colloidal suspensions and proteins dissolved in solution. A different mechanism for crystal nucleation is proposed in the latter case, in which density (concentration) changes before periodic crystalline order appears. This leads to a theoretical foundation for empirical observations on the 'crystallization window' in protein crystallization. Comparisons are made with the results of computer simulation via molecular dynamics.

  17. Critical sizes and critical characteristics of nanoclusters, nanostructures and nanomaterials

    International Nuclear Information System (INIS)

    Suzdalev, I.P.

    2005-01-01

    Full text: Critical sizes and characteristics of nanoclusters and nanostructures are introduced as the parameters of nanosystems and nanomaterials. The next critical characteristics are considered: atomic and electronic 'magic number', critical size of cluster nucleation, critical size of melting-freezing of cluster, critical size of quantum (laser) radiation, critical sizes for the single electron conductivity, critical energy and magnetic field for the magnetic tunneling, critical cluster sizes for the giant magnetic resistance, critical size of the first order magnetic phase transition. The critical characteristics are estimated by thermodynamic approaches, by Moessbauer spectroscopy, AFM, heat capacity, SQUID magnetometry and other technique, The influence of cluster-cluster interactions, cluster-matrix interactions and cluster defects on cluster atomic dynamics, cluster melting, cluster critical sizes, Curie or Neel points and the character of magnetic phase transitions were investigated. The applications of critical size and critical characteristic parameters for the nanomaterial characterization are considered

  18. Conjugate heat transfer effects on wall bubble nucleation in subcooled flashing flows

    International Nuclear Information System (INIS)

    Peterson, P.F.; Hijikata, K.

    1990-01-01

    A variety of models have been proposed to explain observations that large liquid superheat is required to initiate nucleation in flashing flows of subcooled liquids in nozzles, cracks and pipes. In such flows an abrupt change in the fluid temperature occurs downstream of the nucleating cavities. This paper examines the subcooling of the nucleating cavities due to conjugate heat transfer to the cold downstream fluid. This examination suggests a mechanism limiting the maximum active cavity size. Simple analysis shows that, of the total superheat required to initiate flashing, a substantial portion results from conjugate wall subcooling, which decreases the cavity vapor pressure. The specific case of flashing critical nozzle flow is examined in detail. Here boundary-layer laminarization due to the strong favorable pressure gradient aids the analysis of conjugate heat transfer

  19. Influence of plastic slip localization on grain boundary stress fields and microcrack nucleation

    International Nuclear Information System (INIS)

    Sauzay, Maxime; Vor, Kokleang

    2013-01-01

    Slip localization is widely observed in metallic polycrystals after tensile deformation, cyclic deformation (persistent slip bands) or pre-irradiation followed by tensile deformation (channels). Such strong deformation localized in thin slip bands induces local stress concentrations in the quasi-elastic matrix around, at the intersections between slip bands and grain boundaries where microcracks are often observed. Since the work of Stroh, such stress fields have been modeled using the dislocation pile-up theory which leads to stress singularities similar to the LEFM ones. The Griffith criterion has then been widely applied, leading usually to strong underestimations of the macroscopic stress for microcrack nucleation. In fact, slip band thickness is finite: 50-1000 nm depending on material, temperature and loading conditions. Then, many slip planes are plastically activated through the thickness. Stress fields have probably been overestimated using the pile-up theory which assumes that all dislocations are located on the same atomic plane. To evaluate more realistic stress fields, crystalline finite element (FE) computations are carried out using microstructure inputs (slip band aspect ratio and spacing). Slip bands (low critical resolved shear stress) are embedded in an elastic matrix. The following results are obtained concerning grain boundary normal stress fields: - strong influence of slip band thickness close to the slip band corner, which is not accounted for by the pile-up theory. But far away, the thickness has a negligible effect and the predicted stress fields are close to the one predicted by the pile-up theory, - analytical formulae are deduced from the numerous FE computation results which allows the prediction of surface/bulk slips as well as grain boundary stress fields. Slip band plasticity parameters, slip band length and thickness, Schmid factor and remote stress are taken into account. The dependence with respect to the various parameters can

  20. Analysis of the Effect of Water Activity on Ice Formation Using a New Theory of Nucleation

    Science.gov (United States)

    Barahona, Donifan

    2013-01-01

    In this work a new theory of nucleation is developed and used to investigate the effect of water activity on the formation of ice within super-cooled droplets. The new theory is based on a novel concept where the interface is assumed to be made of liquid molecules trapped by the solid matrix. Using this concept new expressions are developed for the critical ice germ size and the nucleation work, with explicit dependencies on temperature and water activity. However unlike previous approaches, the new theory does not depend on the interfacial tension between liquid and ice. Comparison against experimental results shows that the new theory is able to reproduce the observed effect of water activity on nucleation rate and freezing temperature. It allows for the first time a theoretical derivation of the constant shift in water activity between melting and nucleation. The new theory offers a consistent thermodynamic view of ice nucleation, simple enough to be applied in atmospheric models of cloud formation.

  1. Control over phase separation and nucleation using a laser-tweezing potential

    Science.gov (United States)

    Walton, Finlay; Wynne, Klaas

    2018-05-01

    Control over the nucleation of new phases is highly desirable but elusive. Even though there is a long history of crystallization engineering by varying physicochemical parameters, controlling which polymorph crystallizes or whether a molecule crystallizes or forms an amorphous precipitate is still a poorly understood practice. Although there are now numerous examples of control using laser-induced nucleation, the absence of physical understanding is preventing progress. Here we show that the proximity of a liquid-liquid critical point or the corresponding binodal line can be used by a laser-tweezing potential to induce concentration gradients. A simple theoretical model shows that the stored electromagnetic energy of the laser beam produces a free-energy potential that forces phase separation or triggers the nucleation of a new phase. Experiments in a liquid mixture using a low-power laser diode confirm the effect. Phase separation and nucleation using a laser-tweezing potential explains the physics behind non-photochemical laser-induced nucleation and suggests new ways of manipulating matter.

  2. Helium bubble nucleation and growth in α-Fe: insights from first–principles simulations

    International Nuclear Information System (INIS)

    Xiao, W; Zhang, X; Lu, G; Geng, W T

    2014-01-01

    We have carried out a first-principles study on the nucleation and early-stage growth of He bubbles in Fe. The energetics, atomic and electronic structure of He-vacancy complexes, involving both a monovacancy and a nine-vacancy cluster, are examined. Based on the energetics, we then perform thermodynamics analysis to gain deeper insights into He bubble nucleation and growth. We have determined the energy cost for the nucleation of He bubbles and found that up to eight He atoms can be trapped at a single vacancy. In order to capture more He atoms, the vacancy has to emit Frenkel pairs to release the substantial stress building on the surrounding Fe lattice. Compared to the monovacancy, the nine-vacancy cluster has a lower energy cost for He bubble nucleation and growth. He atoms at the vacancy repel the surrounding electronic charge and redistribute it on the neighboring Fe atoms. The thermodynamic analysis reveals that He chemical potential provides a driving force for He bubble nucleation and growth. There are two critical He chemical potentials that are of particular importance: one of them marks the transition from single He occupation to multiple He occupation at a monovacancy while the other sets off He-induced superabundant vacancy formation. (paper)

  3. Contributions of Heterogeneous Ice Nucleation, Large-Scale Circulation, and Shallow Cumulus Detrainment to Cloud Phase Transition in Mixed-Phase Clouds with NCAR CAM5

    Science.gov (United States)

    Liu, X.; Wang, Y.; Zhang, D.; Wang, Z.

    2016-12-01

    Mixed-phase clouds consisting of both liquid and ice water occur frequently at high-latitudes and in mid-latitude storm track regions. This type of clouds has been shown to play a critical role in the surface energy balance, surface air temperature, and sea ice melting in the Arctic. Cloud phase partitioning between liquid and ice water determines the cloud optical depth of mixed-phase clouds because of distinct optical properties of liquid and ice hydrometeors. The representation and simulation of cloud phase partitioning in state-of-the-art global climate models (GCMs) are associated with large biases. In this study, the cloud phase partition in mixed-phase clouds simulated from the NCAR Community Atmosphere Model version 5 (CAM5) is evaluated against satellite observations. Observation-based supercooled liquid fraction (SLF) is calculated from CloudSat, MODIS and CPR radar detected liquid and ice water paths for clouds with cloud-top temperatures between -40 and 0°C. Sensitivity tests with CAM5 are conducted for different heterogeneous ice nucleation parameterizations with respect to aerosol influence (Wang et al., 2014), different phase transition temperatures for detrained cloud water from shallow convection (Kay et al., 2016), and different CAM5 model configurations (free-run versus nudged winds and temperature, Zhang et al., 2015). A classical nucleation theory-based ice nucleation parameterization in mixed-phase clouds increases the SLF especially at temperatures colder than -20°C, and significantly improves the model agreement with observations in the Arctic. The change of transition temperature for detrained cloud water increases the SLF at higher temperatures and improves the SLF mostly over the Southern Ocean. Even with the improved SLF from the ice nucleation and shallow cumulus detrainment, the low SLF biases in some regions can only be improved through the improved circulation with the nudging technique. Our study highlights the challenges of

  4. NUCLEATION AND THE AUDIO-LINGUAL APPROACH.

    Science.gov (United States)

    BELASCO, SIMON

    IN THE PRE-NUCLEATION STAGE, THE STUDENT IS CONCERNED WITH STORING, OR INTERNALIZING, THREE KINDS OF LANGUAGE PATTERNS--(1) ONE REPRESENTING THE SOUND STRUCTURE, (2) ANOTHER INVOLVING A PORTION OF THE SYNTACTIC STRUCTURE, AND (3) A THIRD--CALLED SANDHI VARIATION--ARISING FROM THE ACCIDENTAL CO-OCCURRENCE OF CERTAIN SOUNDS MAKING UP THE ELEMENTS OF…

  5. Crystal nucleation kinetics in confined systems

    Czech Academy of Sciences Publication Activity Database

    Kožíšek, Zdeněk

    2013-01-01

    Roč. 15, č. 12 (2013), 2269-2274 ISSN 1466-8033 R&D Projects: GA ČR GAP108/12/0891 Institutional support: RVO:68378271 Keywords : nucleation * phase transtion Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.858, year: 2013

  6. The scales of brane nucleation processes

    International Nuclear Information System (INIS)

    Alwis, S.P. de

    2007-01-01

    The scales associated with Brown-Teitelboim-Bousso-Polchinski processes of brane nucleation, which result in changes of the flux parameters and the number of D-branes, are discussed in the context of type IIB models with all mod