WorldWideScience

Sample records for instantaneous homogeneous nucleation

  1. 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...

  2. 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.

  3. 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

  4. 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

  5. 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

  6. 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.

  7. Spray structure as generated under homogeneous flash boiling nucleation regime

    International Nuclear Information System (INIS)

    Levy, M.; Levy, Y.; Sher, E.

    2014-01-01

    We show the effect of the initial pressure and temperature on the spatial distribution of droplets size and their velocity profile inside a spray cloud that is generated by a flash boiling mechanism under homogeneous nucleation regime. We used TSI's Phase Doppler Particle Analyzer (PDPA) to characterize the spray. We conclude that the homogeneous nucleation process is strongly affected by the initial liquid temperature while the initial pressure has only a minor effect. The spray shape is not affected by temperature or pressure under homogeneous nucleation regime. We noted that the only visible effect is in the spray opacity. Finally, homogeneous nucleation may be easily achieved by using a simple atomizer construction, and thus is potentially suitable for fuel injection systems in combustors and engines. - Highlights: • We study the characteristics of a spray that is generated by a flash boiling process. • In this study, the flash boiling process occurs under homogeneous nucleation regime. • We used Phase Doppler Particle Analyzer (PDPA) to characterize the spray. • The SMD has been found to be strongly affected by the initial liquid temperature. • Homogeneous nucleation may be easily achieved by using a simple atomizer unit

  8. Temperature Dependence in Homogeneous and Heterogeneous Nucleation

    Energy Technology Data Exchange (ETDEWEB)

    McGraw R. L.; Winkler, P. M.; Wagner, P. E.

    2017-08-01

    Heterogeneous nucleation on stable (sub-2 nm) nuclei aids the formation of atmospheric cloud condensation nuclei (CCN) by circumventing or reducing vapor pressure barriers that would otherwise limit condensation and new particle growth. Aerosol and cloud formation depend largely on the interaction between a condensing liquid and the nucleating site. A new paper published this year reports the first direct experimental determination of contact angles as well as contact line curvature and other geometric properties of a spherical cap nucleus at nanometer scale using measurements from the Vienna Size Analyzing Nucleus Counter (SANC) (Winkler et al., 2016). For water nucleating heterogeneously on silver oxide nanoparticles we find contact angles around 15 degrees compared to around 90 degrees for the macroscopically measured equilibrium angle for water on bulk silver. The small microscopic contact angles can be attributed via the generalized Young equation to a negative line tension that becomes increasingly dominant with increasing curvature of the contact line. These results enable a consistent theoretical description of heterogeneous nucleation and provide firm insight to the wetting of nanosized objects.

  9. Binary Homogeneous Nucleation in Selected Aqueous

    Czech Academy of Sciences Publication Activity Database

    Maršík, František; Němec, Tomáš; Hrubý, Jan; Demo, Pavel; Kožíšek, Zdeněk; Petr, V.; Kolovratník, M.

    2008-01-01

    Roč. 37, č. 12 (2008), s. 1671-1708 ISSN 0095-9782 R&D Projects: GA ČR(CZ) GA101/05/2524; GA AV ČR KJB400760701; GA MŠk(CZ) 1M06031; GA AV ČR IBS2076003 Institutional research plan: CEZ:AV0Z20760514; CEZ:AV0Z10100520 Keywords : nucleation * steam * theory Subject RIV: BJ - Thermodynamics Impact factor: 1.241, year: 2008 http://www.springerlink.com/content/104381/

  10. Homogeneous nucleation, growth and recrystallization of discharge products on electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Kappus, W.

    1983-11-01

    The early stage of discharge of electrodes with an electrodissolution/precipitation mechanism is investigated. A theory is proposed for quasi-classical homogeneous nucleation and the subsequent growth. Based on this theory the radii distribution function was calculated for the diffusion-controlled growth of crystallites. Recrystallization was included. The nucleation overpotential was calculated as a function of time for discharges under various conditions.

  11. Homogeneous nucleation limit on the bulk formation of metallic glasses

    International Nuclear Information System (INIS)

    Drehman, A.J.

    1983-01-01

    Glassy Pd 82 Si 18 spheres, of up to 1 mm diameter, were formed in a drop tube filled with He gas. The largest spheres were successfully cooled to a glass using a cooling rate of less than 800 K/sec. Even at this low cooling rate, crystallization (complete or partial) was the result of heterogeneous nucleation at a high temperature, relative to the temperature at which copious homogeneous nucleation would commence. Bulk underscoring experiments demonstrated that this alloy could be cooled to 385 K below its eutectic melting temperature (1083 K) without the occurrence of crystallization. If heterogeneous nucleation can be avoided, it is estimated that a cooling rate of at most 100 K/sec would be required to form this alloy in the glassy state. Ingots of glassy Pd 40 Ni 40 P 20 were formed from the liquid by cooling at a rate of only 1 K/sec. It was found that glassy samples of this alloy could be heated well above the glass transition temperature without the occurrence of rapid divitrification. This is a result due, in part of the low density of pre-existing nuclei, but, more importantly, due to the low homogeneous nucleation rate and the slow crystal growth kinetics. Based on the observed devitrification kinetics, the steady-state homogeneous nucleation rate is approximately 1 nuclei/cm 3 sec at 590 K (the temperature at which the homogeneous nucleation rate is estimated to be a maximum). Two iron-nickel based glass-forming alloys (Fe 40 Ni 40 P 14 B 6 and Fe 40 Ni 40 B 20 , were not successfully formed into glassy spheres, however, microstructural examination indicates that crystallization was not the result of copious homogeneous nucleation. In contrast, glass forming iron based alloys (Fe 80 B 20 and Fe/sub 79.3/B/sub 16.4/Si/sub 4.0/C/sub 0.3/) exhibit copious homogeneous nucleation when cooled at approximately the same rate

  12. Homogeneous Nucleation Rate Measurements in Supersaturated Water Vapor

    Czech Academy of Sciences Publication Activity Database

    Brus, David; Ždímal, Vladimír; Smolík, Jiří

    2008-01-01

    Roč. 129, č. 17 (2008), , 174501-1-174501-8 ISSN 0021-9606 R&D Projects: GA ČR GA101/05/2214 Institutional research plan: CEZ:AV0Z40720504 Keywords : homogeneous nucleation * water * diffusion chamber Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.149, year: 2008

  13. 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.”.

  14. Homogeneous ice nucleation from aqueous inorganic/organic particles representative of biomass burning: water activity, freezing temperatures, nucleation rates.

    Science.gov (United States)

    Knopf, Daniel A; Rigg, Yannick J

    2011-02-10

    Homogeneous ice nucleation plays an important role in the formation of cirrus clouds with subsequent effects on the global radiative budget. Here we report on homogeneous ice nucleation temperatures and corresponding nucleation rate coefficients of aqueous droplets serving as surrogates of biomass burning aerosol. Micrometer-sized (NH(4))(2)SO(4)/levoglucosan droplets with mass ratios of 10:1, 1:1, 1:5, and 1:10 and aqueous multicomponent organic droplets with and without (NH(4))(2)SO(4) under typical tropospheric temperatures and relative humidities are investigated experimentally using a droplet conditioning and ice nucleation apparatus coupled to an optical microscope with image analysis. Homogeneous freezing was determined as a function of temperature and water activity, a(w), which was set at droplet preparation conditions. The ice nucleation data indicate that minor addition of (NH(4))(2)SO(4) to the aqueous organic droplets renders the temperature dependency of water activity negligible in contrast to the case of aqueous organic solution droplets. The mean homogeneous ice nucleation rate coefficient derived from 8 different aqueous droplet compositions with average diameters of ∼60 μm for temperatures as low as 195 K and a(w) of 0.82-1 is 2.18 × 10(6) cm(-3) s(-1). The experimentally derived freezing temperatures and homogeneous ice nucleation rate coefficients are in agreement with predictions of the water activity-based homogeneous ice nucleation theory when taking predictive uncertainties into account. However, the presented ice nucleation data indicate that the water activity-based homogeneous ice nucleation theory overpredicts the freezing temperatures by up to 3 K and corresponding ice nucleation rate coefficients by up to ∼2 orders of magnitude. A shift of 0.01 in a(w), which is well within the uncertainty of typical field and laboratory relative humidity measurements, brings experimental and predicted freezing temperatures and homogeneous ice

  15. Growth Kinetics of the Homogeneously Nucleated Water Droplets: Simulation Results

    International Nuclear Information System (INIS)

    Mokshin, Anatolii V; Galimzyanov, Bulat N

    2012-01-01

    The growth of homogeneously nucleated droplets in water vapor at the fixed temperatures T = 273, 283, 293, 303, 313, 323, 333, 343, 353, 363 and 373 K (the pressure p = 1 atm.) is investigated on the basis of the coarse-grained molecular dynamics simulation data with the mW-model. The treatment of simulation results is performed by means of the statistical method within the mean-first-passage-time approach, where the reaction coordinate is associated with the largest droplet size. It is found that the water droplet growth is characterized by the next features: (i) the rescaled growth law is unified at all the considered temperatures and (ii) the droplet growth evolves with acceleration and follows the power law.

  16. Application of nonequilibrium quantum statistical mechanics to homogeneous nucleation

    International Nuclear Information System (INIS)

    Larson, A.R.; Cantrell, C.D.

    1978-01-01

    The master equation for cluster growth and evaporation is derived from many-body quantum mechanics and from a modified version of quantum damping theory used in laser physics. For application to nucleation theory, the quantum damping theory has been generalized to include system and reservoir states that are not separate entities. Formulae for rate constants are obtained. Solutions of the master equation yield equations of state and system-averaged quantities recognized as thermodynamic variables. Formulae for Helmholtz free energies of clusters in a Debye approximation are derived. Coexistence-line equations for pressure volume, and number of clusters are obtained from equations-of-state analysis. Coexistence-line and surface-tension data are used to obtain values of parameters for the Debye approximation. These data are employed in calculating both the nucleation current in diffusion cloud chamber experiments and the onset of condensation in expansion nozzle experiments. Theoretical and experimental results are similar for both cloud-chamber and nozzle experiments, which measure water

  17. Homogeneous nucleation: a problem in nonequilibrium quantum statistical mechanics

    International Nuclear Information System (INIS)

    1978-08-01

    The master equation for cluster growth and evaporation is derived for many-body quantum mechanics and from a modified version of quantum damping theory used in laser physics. For application to nucleation theory, the quantum damping theory is generalized to include system and reservoir states that are not separate entities. Formulas for rate constants are obtained. Solutions of the master equation yield equations of state and system-averaged quantities recognized as thermodynamic variables. Formulas for Helmholtz free energies of clusters in a Debye approximation are derived. Coexistence-line equations for pressure, volume, and number of clusters are obtained from equations-of-state analysis. Coexistence-line and surface-tension data are used to obtain values of parameters for the Debye approximation. These data are employed in calculating both the nucleation current in diffusion cloud chamber experiments and the onset of condensation in expansion nozzle experiments. Theoretical and experimental results are similar for both cloud chamber and nozzle experiments, which measure water. Comparison with other theories reveals that classical theory only accidently agrees with experiment and that the Helmholtz free-energy formula used in the Lothe--Pound theory is incomplete. 27 figures, 3 tables, 149 references

  18. 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...

  19. 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.

  20. Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions.

    Science.gov (United States)

    Jiang, Hao; Haji-Akbari, Amir; Debenedetti, Pablo G; Panagiotopoulos, Athanassios Z

    2018-01-28

    We used molecular dynamics simulations and the path sampling technique known as forward flux sampling to study homogeneous nucleation of NaCl crystals from supersaturated aqueous solutions at 298 K and 1 bar. Nucleation rates were obtained for a range of salt concentrations for the Joung-Cheatham NaCl force field combined with the Extended Simple Point Charge (SPC/E) water model. The calculated nucleation rates are significantly lower than the available experimental measurements. The estimates for the nucleation rates in this work do not rely on classical nucleation theory, but the pathways observed in the simulations suggest that the nucleation process is better described by classical nucleation theory than an alternative interpretation based on Ostwald's step rule, in contrast to some prior simulations of related models. In addition to the size of NaCl nucleus, we find that the crystallinity of a nascent cluster plays an important role in the nucleation process. Nuclei with high crystallinity were found to have higher growth probability and longer lifetimes, possibly because they are less exposed to hydration water.

  1. On the effect of pressure and carrier gas on homogeneous water nucleation

    Czech Academy of Sciences Publication Activity Database

    Fransen, M. A. L. J.; Hrubý, Jan; Smeulders, D. M. J.; Dongen, M. E. H.

    2015-01-01

    Roč. 142, č. 16 (2015), 164307_1-164307_7 ISSN 0021-9606 R&D Projects: GA ČR(CZ) GAP101/11/1593 Institutional support: RVO:61388998 Keywords : homogeneous nucleation * water * pressure effect Subject RIV: BJ - Thermodynamics Impact factor: 2.894, year: 2015 http://dx.doi.org/10.1063/1.4919249

  2. Deviation from equilibrium conditions in molecular dynamic simulations of homogeneous nucleation.

    Science.gov (United States)

    Halonen, Roope; Zapadinsky, Evgeni; Vehkamäki, Hanna

    2018-04-28

    We present a comparison between Monte Carlo (MC) results for homogeneous vapour-liquid nucleation of Lennard-Jones clusters and previously published values from molecular dynamics (MD) simulations. Both the MC and MD methods sample real cluster configuration distributions. In the MD simulations, the extent of the temperature fluctuation is usually controlled with an artificial thermostat rather than with more realistic carrier gas. In this study, not only a primarily velocity scaling thermostat is considered, but also Nosé-Hoover, Berendsen, and stochastic Langevin thermostat methods are covered. The nucleation rates based on a kinetic scheme and the canonical MC calculation serve as a point of reference since they by definition describe an equilibrated system. The studied temperature range is from T = 0.3 to 0.65 ϵ/k. The kinetic scheme reproduces well the isothermal nucleation rates obtained by Wedekind et al. [J. Chem. Phys. 127, 064501 (2007)] using MD simulations with carrier gas. The nucleation rates obtained by artificially thermostatted MD simulations are consistently lower than the reference nucleation rates based on MC calculations. The discrepancy increases up to several orders of magnitude when the density of the nucleating vapour decreases. At low temperatures, the difference to the MC-based reference nucleation rates in some cases exceeds the maximal nonisothermal effect predicted by classical theory of Feder et al. [Adv. Phys. 15, 111 (1966)].

  3. A simulation study of homogeneous ice nucleation in supercooled salty water

    Science.gov (United States)

    Soria, Guiomar D.; Espinosa, Jorge R.; Ramirez, Jorge; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

    2018-06-01

    We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.

  4. Anomalous Behavior of the Homogeneous Ice Nucleation Rate in “No-Man’s Land”

    Science.gov (United States)

    2015-01-01

    We present an analysis of ice nucleation kinetics from near-ambient pressure water as temperature decreases below the homogeneous limit TH by cooling micrometer-sized droplets (microdroplets) evaporatively at 103–104 K/s and probing the structure ultrafast using femtosecond pulses from the Linac Coherent Light Source (LCLS) free-electron X-ray laser. Below 232 K, we observed a slower nucleation rate increase with decreasing temperature than anticipated from previous measurements, which we suggest is due to the rapid decrease in water’s diffusivity. This is consistent with earlier findings that microdroplets do not crystallize at nucleation rate is connected with the proposed “fragile-to-strong” transition anomaly in water. PMID:26207172

  5. Beating Homogeneous Nucleation and Tuning Atomic Ordering in Glass-Forming Metals by Nanocalorimetry.

    Science.gov (United States)

    Zhao, Bingge; Yang, Bin; Abyzov, Alexander S; Schmelzer, Jürn W P; Rodríguez-Viejo, Javier; Zhai, Qijie; Schick, Christoph; Gao, Yulai

    2017-12-13

    In this paper, the amorphous Ce 68 Al 10 Cu 20 Co 2 (atom %) alloy was in situ prepared by nanocalorimetry. The high cooling and heating rates accessible with this technique facilitate the suppression of crystallization on cooling and the identification of homogeneous nucleation. Different from the generally accepted notion that metallic glasses form just by avoiding crystallization, the role of nucleation and growth in the crystallization behavior of amorphous alloys is specified, allowing an access to the ideal metallic glass free of nuclei. Local atomic configurations are fundamentally significant to unravel the glass forming ability (GFA) and phase transitions in metallic glasses. For this reason, isothermal annealing near T g from 0.001 s to 25,000 s following quenching becomes the strategy to tune local atomic configurations and facilitate an amorphous alloy, a mixed glassy-nanocrystalline state, and a crystalline sample successively. On the basis of the evolution of crystallization enthalpy and overall latent heat on reheating, we quantify the underlying mechanism for the isothermal nucleation and crystallization of amorphous alloys. With Johnson-Mehl-Avrami method, it is demonstrated that the coexistence of homogeneous and heterogeneous nucleation contributes to the isothermal crystallization of glass. Heterogeneous rather than homogeneous nucleation dominates the isothermal crystallization of the undercooled liquid. For the mixed glassy-nanocrystalline structure, an extraordinary kinetic stability of the residual glass is validated, which is ascribed to the denser packed interface between amorphous phase and ordered nanocrystals. Tailoring the amorphous structure by nanocalorimetry permits new insights into unraveling GFA and the mechanism that correlates local atomic configurations and phase transitions in metallic glasses.

  6. On the formation of sulfuric acid-water particles via homogeneous nucleation in the lower troposphere

    Energy Technology Data Exchange (ETDEWEB)

    Kerminen, V.M.

    1995-12-31

    Production of new sulfur derived particles via homogeneous nucleation between sulfuric acid and water vapors, and other related aerosol processes taking place in a variety of tropospheric environments, were studied using theoretical and model approaches. For nucleation to occur in the lower troposphere, cool and humid conditions combined with relatively strong solar radiation were usually required. Regardless of the system concerned, production of nuclei was found to be favored also by high SO{sub 2}(g) to fine particulate matter ratios. Urban post-fog situations, which are encountered commonly during severe air pollution episodes, were shown to favor new particle production considerably above the corresponding `background` conditions. A simple procedure for evaluating post-fog nucleation probabilities from routinely obtained data was developed and applied to real aerosol systems. Nucleation in the remote marine environment, which is an essential phenomenon in linking natural sulfur emissions to global climate change, was studied from a dynamic point of view. It was demonstrated that new particle production occurs more often in association with relative humidity transitions typical for many boundary layer processes than under averaged or steady conditions of the kind assumed explicitly in most earlier model studies. Power plant plumes were shown to be a particularly significant source of atmospheric nuclei, due primarily to their frequently high SO{sub 2}-to-particulate matter ratios. Factors affecting the probability of nucleation during plume dispersion were examined in detail, and finally, strategies for the control of in-plume particle production were analyzed. (author)

  7. 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

  8. 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.

  9. 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.

  10. Direct calculation of ice homogeneous nucleation rate for a molecular model of water

    Science.gov (United States)

    Haji-Akbari, Amir; Debenedetti, Pablo G.

    2015-01-01

    Ice formation is ubiquitous in nature, with important consequences in a variety of environments, including biological cells, soil, aircraft, transportation infrastructure, and atmospheric clouds. However, its intrinsic kinetics and microscopic mechanism are difficult to discern with current experiments. Molecular simulations of ice nucleation are also challenging, and direct rate calculations have only been performed for coarse-grained models of water. For molecular models, only indirect estimates have been obtained, e.g., by assuming the validity of classical nucleation theory. We use a path sampling approach to perform, to our knowledge, the first direct rate calculation of homogeneous nucleation of ice in a molecular model of water. We use TIP4P/Ice, the most accurate among existing molecular models for studying ice polymorphs. By using a novel topological approach to distinguish different polymorphs, we are able to identify a freezing mechanism that involves a competition between cubic and hexagonal ice in the early stages of nucleation. In this competition, the cubic polymorph takes over because the addition of new topological structural motifs consistent with cubic ice leads to the formation of more compact crystallites. This is not true for topological hexagonal motifs, which give rise to elongated crystallites that are not able to grow. This leads to transition states that are rich in cubic ice, and not the thermodynamically stable hexagonal polymorph. This mechanism provides a molecular explanation for the earlier experimental and computational observations of the preference for cubic ice in the literature. PMID:26240318

  11. The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit.

    Science.gov (United States)

    Cheng, Bingqing; Tribello, Gareth A; Ceriotti, Michele

    2017-09-14

    In this paper we discuss how the information contained in atomistic simulations of homogeneous nucleation should be used when fitting the parameters in macroscopic nucleation models. We show how the number of solid and liquid atoms in such simulations can be determined unambiguously by using a Gibbs dividing surface and how the free energy as a function of the number of solid atoms in the nucleus can thus be extracted. We then show that the parameters (the chemical potential, the interfacial free energy, and a Tolman correction) of a model based on classical nucleation theory can be fitted using the information contained in these free-energy profiles but that the parameters in such models are highly correlated. This correlation is unfortunate as it ensures that small errors in the computed free energy surface can give rise to large errors in the extrapolated properties of the fitted model. To resolve this problem we thus propose a method for fitting macroscopic nucleation models that uses simulations of planar interfaces and simulations of three-dimensional nuclei in tandem. We show that when the chemical potentials and the interface energy are pinned to their planar-interface values, more precise estimates for the Tolman length are obtained. Extrapolating the free energy profile obtained from small simulation boxes to larger nuclei is thus more reliable.

  12. Overview: Homogeneous nucleation from the vapor phase-The experimental science.

    Science.gov (United States)

    Wyslouzil, Barbara E; Wölk, Judith

    2016-12-07

    Homogeneous nucleation from the vapor phase has been a well-defined area of research for ∼120 yr. In this paper, we present an overview of the key experimental and theoretical developments that have made it possible to address some of the fundamental questions first delineated and investigated in C. T. R. Wilson's pioneering paper of 1897 [C. T. R. Wilson, Philos. Trans. R. Soc., A 189, 265-307 (1897)]. We review the principles behind the standard experimental techniques currently used to measure isothermal nucleation rates, and discuss the molecular level information that can be extracted from these measurements. We then highlight recent approaches that interrogate the vapor and intermediate clusters leading to particle formation, more directly.

  13. Homogeneous nucleation in phase separation of solid 3He-4He mixtures

    International Nuclear Information System (INIS)

    Poole, M.; Smith, A.; Maidanov, V.A.; Rudavskii, E.Ya.; Grigor'ev, V.N.; Slezov, V.V.; Saunders, J.; Cowan, B.

    2003-01-01

    NMR and pressure have been measured during phase separation in solid 3 He- 4 He mixtures. Spin echoes were used to observe bounded diffusion and to estimate the diffusion coefficient, size and nuclei concentration in the 3 He-enriched phase. The characteristic phase separation time constant of the mixture was found from pressure measurements. The results argue convincingly for homogeneous nucleation. The surface tension of the nuclei is found independently from NMR and from pressure measurements; the two determinations agree well and yield a surface tension coefficient of 4.9x10 -6 J m -2

  14. Homogenous Nucleation Rates of n-Propanol Measured in the Laminar Flow Diffusion Chamber at Different Total Pressures.

    Czech Academy of Sciences Publication Activity Database

    Neitola, K.; Hyvärinen, A.-P.; Lihavainen, H.; Wölk, J.; Strey, R.; Brus, David

    2014-01-01

    Roč. 140, č. 17 (2014), č. článku 174301. ISSN 0021-9606 Grant - others:AFCE(FI) 1118615 Institutional support: RVO:67985858 Keywords : carbon-chain length * equilibrium vapor * homogenous nucleation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.952, year: 2014

  15. Implications of the Homogeneous Nucleation Barrier for Top-Down Crystallization in Mercury's Core

    Science.gov (United States)

    Huguet, L.; Hauck, S. A.; Van Orman, J. A.; Jing, Z.

    2018-05-01

    Crystallization of solids in planetary cores depends both on ambient temperatures falling below the liquidus and on the ability to nucleate crystal growth. We discuss the implications of the nucleation barrier for thermal evolution of Mercury's core.

  16. 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)

  17. 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

  18. 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.

  19. 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.

  20. submitter Hygroscopicity of nanoparticles produced from homogeneous nucleation in the CLOUD experiments

    CERN Document Server

    Kim, J; Yli-Juuti, T; Lawler, M; Keskinen, H; Tröstl, J; Schobesberger, S; Duplissy, J; Amorim, A; Bianchi, F; Donahue, N M; Flagan, R C; Hakala, J; Heinritzi, M; Jokinen, T; Kürten, A; Laaksonen, A; Lehtipalo, K; Miettinen, P; Petäjä, T; Rissanen, M P; Rondo, L; Sengupta, K; Simon, M; Tomé, A; Williamson, C; Wimmer, D; Winkler, P M; Ehrhart, S; Ye, P; Kirkby, J; Curtius, J; Baltensperger, U; Kulmala, M; Lehtinen, K E J; Smith, J N; Riipinen, I; Virtanen, A

    2016-01-01

    Sulfuric acid, amines and oxidized organics have been found to be important compounds in the nucleation and initial growth of atmospheric particles. Because of the challenges involved in determining the chemical composition of objects with very small mass, however, the properties of the freshly nucleated particles and the detailed pathways of their formation processes are still not clear. In this study, we focus on a challenging size range, i.e., particles that have grown to diameters of 10 and 15 nm following nucleation, and measure their water uptake. Water uptake is useful information for indirectly obtaining chemical composition of aerosol particles. We use a nanometer-hygroscopicity tandem differential mobility analyzer (nano-HTDMA) at subsaturated conditions (ca. 90 % relative humidity at 293 K) to measure the hygroscopicity of particles during the seventh Cosmics Leaving OUtdoor Droplets (CLOUD7) campaign performed at CERN in 2012. In CLOUD7, the hygroscopicity of nucleated nanoparticles was meas...

  1. 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

  2. Homogeneous nucleation rates of nitric acid dihydrate (NAD at simulated stratospheric conditions – Part II: Modelling

    Directory of Open Access Journals (Sweden)

    O. Möhler

    2006-01-01

    Full Text Available Activation energies ΔGact for the nucleation of nitric acid dihydrate (NAD in supercooled binary HNO3/H2O solution droplets were calculated from volume-based nucleation rate measurements using the AIDA (Aerosol, Interactions, and Dynamics in the Atmosphere aerosol chamber of Forschungszentrum Karlsruhe. The experimental conditions covered temperatures T between 192 and 197 K, NAD saturation ratios SNAD between 7 and 10, and nitric acid molar fractions of the nucleating sub-micron sized droplets between 0.26 and 0.28. Based on classical nucleation theory, a new parameterisation for ΔGact=A×(T ln SNAD−2+B is fitted to the experimental data with A=2.5×106 kcal K2 mol−1 and B=11.2−0.1(T−192 kcal mol−1. A and B were chosen to also achieve good agreement with literature data of ΔGact. The parameter A implies, for the temperature and composition range of our analysis, a mean interface tension σsl=51 cal mol−1 cm−2 between the growing NAD germ and the supercooled solution. A slight temperature dependence of the diffusion activation energy is represented by the parameter B. Investigations with a detailed microphysical process model showed that literature formulations of volume-based (Salcedo et al., 2001 and surface-based (Tabazadeh et al., 2002 nucleation rates significantly overestimate NAD formation rates when applied to the conditions of our experiments.

  3. 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

  4. Homogeneous bubble nucleation in binary systems of liquid solvent and dissolved gas

    Czech Academy of Sciences Publication Activity Database

    Němec, Tomáš

    2016-01-01

    Roč. 467, March (2016), s. 26-37 ISSN 0301-0104 R&D Projects: GA ČR GAP101/10/1819; GA ČR GA13-23550S Institutional support: RVO:61388998 Keywords : bubble nucleation * binary nucleation theory * dissolved gas Subject RIV: BJ - Thermodynamics Impact factor: 1.767, year: 2016 http://ac.els-cdn.com/S0301010416000124/1-s2.0-S0301010416000124-main.pdf?_tid=7797c8a0-fb13-11e5-ba55-00000aab0f6c&acdnat=1459849853_b9a5413fefc3e9199e844a9ccc97f514

  5. On the growth of homogeneously nucleated water droplets in nitrogen: an experimental study

    Czech Academy of Sciences Publication Activity Database

    Fransen, M. A. L. J.; Sachteleben, E.; Hrubý, Jan; Smeulders, D. M. J.

    2014-01-01

    Roč. 55, č. 7 (2014), s. 1780-1780 ISSN 0723-4864 R&D Projects: GA ČR(CZ) GAP101/11/1593 Institutional support: RVO:61388998 Keywords : droplet nucleation * droplet growth * water Subject RIV: BJ - Thermodynamics Impact factor: 1.670, year: 2014 http://link.springer.com/article/10.1007%2Fs00348-014-1780-y

  6. Hygroscopicity of nanoparticles produced from homogeneous nucleation in the CLOUD experiments

    Directory of Open Access Journals (Sweden)

    J. Kim

    2016-01-01

    Full Text Available Sulfuric acid, amines and oxidized organics have been found to be important compounds in the nucleation and initial growth of atmospheric particles. Because of the challenges involved in determining the chemical composition of objects with very small mass, however, the properties of the freshly nucleated particles and the detailed pathways of their formation processes are still not clear. In this study, we focus on a challenging size range, i.e., particles that have grown to diameters of 10 and 15 nm following nucleation, and measure their water uptake. Water uptake is useful information for indirectly obtaining chemical composition of aerosol particles. We use a nanometer-hygroscopicity tandem differential mobility analyzer (nano-HTDMA at subsaturated conditions (ca. 90 % relative humidity at 293 K to measure the hygroscopicity of particles during the seventh Cosmics Leaving OUtdoor Droplets (CLOUD7 campaign performed at CERN in 2012. In CLOUD7, the hygroscopicity of nucleated nanoparticles was measured in the presence of sulfuric acid, sulfuric acid–dimethylamine, and sulfuric acid–organics derived from α-pinene oxidation. The hygroscopicity parameter κ decreased with increasing particle size, indicating decreasing acidity of particles. No clear effect of the sulfuric acid concentration on the hygroscopicity of 10 nm particles produced from sulfuric acid and dimethylamine was observed, whereas the hygroscopicity of 15 nm particles sharply decreased with decreasing sulfuric acid concentrations. In particular, when the concentration of sulfuric acid was 5.1 × 106 molecules cm−3 in the gas phase, and the dimethylamine mixing ratio was 11.8 ppt, the measured κ of 15 nm particles was 0.31 ± 0.01: close to the value reported for dimethylaminium sulfate (DMAS (κDMAS ∼ 0.28. Furthermore, the difference in κ between sulfuric acid and sulfuric acid–imethylamine experiments increased with increasing particle

  7. First passage times in homogeneous nucleation: Dependence on the total number of particles

    International Nuclear Information System (INIS)

    Yvinec, Romain; Bernard, Samuel; Pujo-Menjouet, Laurent; Hingant, Erwan

    2016-01-01

    Motivated by nucleation and molecular aggregation in physical, chemical, and biological settings, we present an extension to a thorough analysis of the stochastic self-assembly of a fixed number of identical particles in a finite volume. We study the statistics of times required for maximal clusters to be completed, starting from a pure-monomeric particle configuration. For finite volumes, we extend previous analytical approaches to the case of arbitrary size-dependent aggregation and fragmentation kinetic rates. For larger volumes, we develop a scaling framework to study the first assembly time behavior as a function of the total quantity of particles. We find that the mean time to first completion of a maximum-sized cluster may have a surprisingly weak dependence on the total number of particles. We highlight how higher statistics (variance, distribution) of the first passage time may nevertheless help to infer key parameters, such as the size of the maximum cluster. Finally, we present a framework to quantify formation of macroscopic sized clusters, which are (asymptotically) very unlikely and occur as a large deviation phenomenon from the mean-field limit. We argue that this framework is suitable to describe phase transition phenomena, as inherent infrequent stochastic processes, in contrast to classical nucleation theory

  8. Homogeneous nucleation of water in argon. Nucleation rate computation from molecular simulations of TIP4P and TIP4P/2005 water model.

    Science.gov (United States)

    Dumitrescu, Lucia R; Smeulders, David M J; Dam, Jacques A M; Gaastra-Nedea, Silvia V

    2017-02-28

    Molecular dynamics (MD) simulations were conducted to study nucleation of water at 350 K in argon using TIP4P and TIP4P/2005 water models. We found that the stability of any cluster, even if large, strongly depends on the energetic interactions with its vicinity, while the stable clusters change their composition almost entirely during nucleation. Using the threshold method, direct nucleation rates are obtained. Our nucleation rates are found to be 1.08×10 27 cm -3 s -1 for TIP4P and 2.30×10 27 cm -3 s -1 for TIP4P/2005. The latter model prescribes a faster dynamics than the former, with a nucleation rate two times larger due to its higher electrostatic charges. The non-equilibrium water densities derived from simulations and state-of-art equilibrium parameters from Vega and de Miguel [J. Chem. Phys. 126, 154707 (2007)] are used for the classical nucleation theory (CNT) prediction. The CNT overestimates our results for both water models, where TIP4P/2005 shows largest discrepancy. Our results complement earlier data at high nucleation rates and supersaturations in the Hale plot [Phys. Rev. A 33, 4156 (1986)], and are consistent with MD data on the SPC/E and the TIP4P/2005 model.

  9. 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

  10. Homogeneous nucleation of water in argon : nucleation rate computation from molecular simulations of TIP4P and TIP4P/2005 water model

    NARCIS (Netherlands)

    Dumitrescu, Lucia R.; Smeulders, David M.J.; Dam, Jacques A.M.; Gaastra-Nedea, Silvia V.

    2017-01-01

    Molecular dynamics (MD) simulations were conducted to study nucleation of water at 350 K in argon using TIP4P and TIP4P/2005 water models. We found that the stability of any cluster, even if large, strongly depends on the energetic interactions with its vicinity, while the stable clusters change

  11. 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.

  12. 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.

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

    Czech Academy of Sciences Publication Activity Database

    Planková, Barbora; Vinš, Václav; Hrubý, Jan

    2017-01-01

    Roč. 147, č. 16 (2017), č. článku 164702. ISSN 0021-9606 R&D Projects: GA MŠk(CZ) 7F14466; GA ČR(CZ) GJ15-07129Y Institutional support: RVO:61388998 Keywords : nucleation * classical nucleation theory * density gradient theory Subject RIV: BJ - Thermodynamics OBOR OECD: Thermodynamics Impact factor: 2.965, year: 2016

  14. Laboratory studies of H2SO4/H2O binary homogeneous nucleation from the SO2+OH reaction: evaluation of the experimental setup and preliminary results

    Directory of Open Access Journals (Sweden)

    M. Kulmala

    2008-08-01

    Full Text Available Binary homogeneous nucleation (BHN of sulphuric acid and water (H2SO4/H2O is one of the most important atmospheric nucleation processes, but laboratory observations of this nucleation process are very limited and there are also large discrepancies between different laboratory studies. The difficulties associated with these experiments include wall loss of H2SO4 and uncertainties in estimation of H2SO4 concentration ([H2SO4] involved in nucleation. We have developed a new laboratory nucleation setup to study H2SO4/H2O BHN kinetics and provide relatively constrained [H2SO4] needed for nucleation. H2SO4 is produced from the SO2+OH→HSO3 reaction and OH radicals are produced from water vapor UV absorption. The residual [H2SO4] were measured at the end of the nucleation reactor with a chemical ionization mass spectrometer (CIMS. Wall loss factors (WLFs of H2SO4 were estimated by assuming that wall loss is diffusion limited and these calculated WLFs were in good agreement with simultaneous measurements of the initial and residual [H2SO4] with two CIMSs. The nucleation zone was estimated from numerical simulations based on the measured aerosol sizes (particle diameter, Dp and [H2SO4]. The measured BHN rates (J ranged from 0.01–220 cm−3 s−1 at the initial and residual [H2SO4] from 108−1010 cm−3, a temperature of 288 K and relative humidity (RH from 11–23%; J increased with increasing [H2SO4] and RH. J also showed a power dependence on [H2SO4] with the exponential power of 3–8. These power dependences are consistent with other laboratory studies under similar [H2SO4] and RH, but different from atmospheric field observations which showed that particle number concentrations are often linearly dependent on [H2SO4]. These results, together with a higher [H2SO4] threshold (108–109 cm−3 needed to produce the unit J measured from the laboratory studies compared to the atmospheric conditions (106–107 cm−3, imply that H2SO4/H2O BHN alone is

  15. Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics.

    Science.gov (United States)

    Horsch, Martin; Vrabec, Jadran; Bernreuther, Martin; Grottel, Sebastian; Reina, Guido; Wix, Andrea; Schaber, Karlheinz; Hasse, Hans

    2008-04-28

    Molecular dynamics (MD) simulation is applied to the condensation process of supersaturated vapors of methane, ethane, and carbon dioxide. Simulations of systems with up to a 10(6) particles were conducted with a massively parallel MD program. This leads to reliable statistics and makes nucleation rates down to the order of 10(30) m(-3) s(-1) accessible to the direct simulation approach. Simulation results are compared to the classical nucleation theory (CNT) as well as the modification of Laaksonen, Ford, and Kulmala (LFK) which introduces a size dependence of the specific surface energy. CNT describes the nucleation of ethane and carbon dioxide excellently over the entire studied temperature range, whereas LFK provides a better approach to methane at low temperatures.

  16. Instantaneous wave emission model

    International Nuclear Information System (INIS)

    Kruer, W.L.

    1970-12-01

    A useful treatment of electrostatic wave emission by fast particles in a plasma is given. First, the potential due to a fast particle is expressed as a simple integration over the particle orbit; several interesting results readily follow. The potential in the wake of an accelerating particle is shown to be essentially that produced through local excitation of the plasma by the particle free-streaming about its instantaneous orbit. Application is made to one dimension, and it is shown that the wave emission and adsorption synchronize to the instantaneous velocity distribution function. Guided by these calculations, we then formulate a test particle model for computing the instantaneous wave emission by fast particles in a Vlasov plasma. This model lends itself to physical interpretation and provides a direct approach to many problems. By adopting a Fokker-Planck description for the particle dynamics, we calculate the broadening of the wave-particle resonance due to velocity diffusion and drag

  17. Instantaneous stochastic perturbation theory

    International Nuclear Information System (INIS)

    Lüscher, Martin

    2015-01-01

    A form of stochastic perturbation theory is described, where the representative stochastic fields are generated instantaneously rather than through a Markov process. The correctness of the procedure is established to all orders of the expansion and for a wide class of field theories that includes all common formulations of lattice QCD.

  18. 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.

  19. Instantaneous aerosol dynamics in a turbulent flow

    KAUST Repository

    Zhou, Kun

    2012-01-01

    Dibutyl phthalate aerosol particles evolution dynamics in a turbulent mixing layer is simulated by means of direct numerical simulation for the flow field and the direct quadrature method of moments for the aerosol evolution. Most par-ticles are nucleated in a thin layer region corresponding to a specific narrow temperature range near the cool stream side. However, particles undergo high growth rate on the hot stream side due to condensation. Coagulation decreases the total particle number density at a rate which is highly correlated to the in-stantaneous number density.

  20. 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.

  1. ISAR imaging using the instantaneous range instantaneous Doppler method

    CSIR Research Space (South Africa)

    Wazna, TM

    2015-10-01

    Full Text Available In Inverse Synthetic Aperture Radar (ISAR) imaging, the Range Instantaneous Doppler (RID) method is used to compensate for the nonuniform rotational motion of the target that degrades the Doppler resolution of the ISAR image. The Instantaneous Range...

  2. 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

  3. 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).

  4. Instantaneous and dynamical decoherence

    Science.gov (United States)

    Polonyi, Janos

    2018-04-01

    Two manifestations of decoherence, called instantaneous and dynamical, are investigated. The former reflects the suppression of the interference between the components of the current state while the latter reflects that within the initial state. These types of decoherence are computed in the case of the Brownian motion and the harmonic and anharmonic oscillators within the semiclassical approximation. A remarkable phenomenon, namely the opposite orientation of the time arrow of the dynamical variables compared to that of the quantum fluctuations generates a double exponential time dependence of the dynamical decoherence in the presence of a harmonic force. For the weakly anharmonic oscillator the dynamical decoherence is found to depend in a singular way on the amount of the anharmonicity.

  5. 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.

  6. 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.

  7. Heterogeneous primary nucleation of ice in water and aqueous solutions

    NARCIS (Netherlands)

    Thijssen, H.A.C.; Vorstman, M.A.G.; Roels, J.A.

    1968-01-01

    The effect of the volume of the liquid sample, the degree of turbulence in the liquid, and the rate of cooling upon the probability of nucleation has been studied for water and aqueous solutions. Nucleation rates were measured for droplets nearly instantaneously cooled to a predetermined

  8. The instantaneous frequency rate spectrogram

    Science.gov (United States)

    Czarnecki, Krzysztof

    2016-01-01

    An accelerogram of the instantaneous phase of signal components referred to as an instantaneous frequency rate spectrogram (IFRS) is presented as a joint time-frequency distribution. The distribution is directly obtained by processing the short-time Fourier transform (STFT) locally. A novel approach to amplitude demodulation based upon the reassignment method is introduced as a useful by-product. Additionally, an estimator of energy density versus the instantaneous frequency rate (IFR) is proposed and referred to as the IFR profile. The energy density is estimated based upon both the classical energy spectrogram and the IFRS smoothened by the median filter. Moreover, the impact of an analyzing window width, additive white Gaussian noise and observation time is tested. Finally, the introduced method is used for the analysis of the acoustic emission of an automotive engine. The recording of the engine of a Lamborghini Gallardo is analyzed as an example.

  9. 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.

  10. Ion irradiation enhanced crystal nucleation in amorphous Si thin films

    International Nuclear Information System (INIS)

    Im, J.S.; Atwater, H.A.

    1990-01-01

    The nucleation kinetics of the amorphous-to-crystal transition of Si films under 1.5 MeV Xe + irradiation have been investigated by means of in situ transmission electron microscopy in the temperature range T=500--580 degree C. After an incubation period during which negligible nucleation occurs, a constant nucleation rate was observed in steady state, suggesting that homogeneous nucleation occurred. Compared to thermal crystallization, a significant enhancement in the nucleation rate during high-energy ion irradiation (five to seven orders of magnitude) was observed with an apparent activation energy of 3.9±0.75 eV

  11. 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.

  12. 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.

  13. 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

  14. A case of instantaneous rigor?

    Science.gov (United States)

    Pirch, J; Schulz, Y; Klintschar, M

    2013-09-01

    The question of whether instantaneous rigor mortis (IR), the hypothetic sudden occurrence of stiffening of the muscles upon death, actually exists has been controversially debated over the last 150 years. While modern German forensic literature rejects this concept, the contemporary British literature is more willing to embrace it. We present the case of a young woman who suffered from diabetes and who was found dead in an upright standing position with back and shoulders leaned against a punchbag and a cupboard. Rigor mortis was fully established, livor mortis was strong and according to the position the body was found in. After autopsy and toxicological analysis, it was stated that death most probably occurred due to a ketoacidotic coma with markedly increased values of glucose and lactate in the cerebrospinal fluid as well as acetone in blood and urine. Whereas the position of the body is most unusual, a detailed analysis revealed that it is a stable position even without rigor mortis. Therefore, this case does not further support the controversial concept of IR.

  15. 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

  16. Non-instantaneous impulses in differential equations

    CERN Document Server

    Agarwal, Ravi; O'Regan, Donal

    2017-01-01

    This monograph is the first published book devoted to the theory of differential equations with non-instantaneous impulses. It aims to equip the reader with mathematical models and theory behind real life processes in physics, biology, population dynamics, ecology and pharmacokinetics. The authors examine a wide scope of differential equations with non-instantaneous impulses through three comprehensive chapters, providing an all-rounded and unique presentation on the topic, including: - Ordinary differential equations with non-instantaneous impulses (scalar and n-dimensional case) - Fractional differential equa tions with non-instantaneous impulses (with Caputo fractional derivatives of order q ϵ (0, 1)) - Ordinary differential equations with non-instantaneous impulses occurring at random moments (with exponential, Erlang, or Gamma distribution) Each chapter focuses on theory, proofs and examples, and contains numerous graphs to enrich the reader’s understanding. Additionally, a carefully selected bibliogr...

  17. 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...

  18. NUCLEATION STUDIES OF GOLD ON CARBON ELECTRODES

    Directory of Open Access Journals (Sweden)

    S. SOBRI

    2008-04-01

    Full Text Available Interest has grown in developing non-toxic electrolytes for gold electrodeposition to replace the conventional cyanide-based bath for long term sustainability of gold electroplating. A solution containing thiosulphate and sulphite has been developed specially for microelectronics applications. However, at the end of the electrodeposition process, the spent electrolyte can contain a significant amount of gold in solution. This study has been initiated to investigate the feasibility of gold recovery from a spent thiosulphate-sulphite electrolyte. We have used flat-plate glassy carbon and graphite electrodes to study the mechanism of nucleation and crystal growth of gold deposition from the spent electrolyte. It was found that at the early stages of reduction process, the deposition of gold on glassy carbon exhibits an instantaneous nucleation of non-overlapping particles. At longer times, the particles begin to overlap and the deposition follows a classic progressive nucleation phenomenon. On the other hand, deposition of gold on graphite does not follow the classical nucleation phenomena.

  19. 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)

  20. 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.

  1. 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

  2. Reflector homogenization

    International Nuclear Information System (INIS)

    Sanchez, R.; Ragusa, J.; Santandrea, S.

    2004-01-01

    The problem of the determination of a homogeneous reflector that preserves a set of prescribed albedo is considered. Duality is used for a direct estimation of the derivatives needed in the iterative calculation of the optimal homogeneous cross sections. The calculation is based on the preservation of collapsed multigroup albedo obtained from detailed reference calculations and depends on the low-order operator used for core calculations. In this work we analyze diffusion and transport as low-order operators and argue that the P 0 transfers are the best choice for the unknown cross sections to be adjusted. Numerical results illustrate the new approach for SP N core calculations. (Author)

  3. Automatic traveltime picking using instantaneous traveltime

    KAUST Repository

    Saragiotis, Christos

    2013-02-08

    Event picking is used in many steps of seismic processing. We present an automatic event picking method that is based on a new attribute of seismic signals, instantaneous traveltime. The calculation of the instantaneous traveltime consists of two separate but interrelated stages. First, a trace is mapped onto the time-frequency domain. Then the time-frequency representation is mapped back onto the time domain by an appropriate operation. The computed instantaneous traveltime equals the recording time at those instances at which there is a seismic event, a feature that is used to pick the events. We analyzed the concept of the instantaneous traveltime and demonstrated the application of our automatic picking method on dynamite and Vibroseis field data.

  4. Automatic traveltime picking using instantaneous traveltime

    KAUST Repository

    Saragiotis, Christos; Alkhalifah, Tariq Ali; Fomel, Sergey

    2013-01-01

    Event picking is used in many steps of seismic processing. We present an automatic event picking method that is based on a new attribute of seismic signals, instantaneous traveltime. The calculation of the instantaneous traveltime consists of two separate but interrelated stages. First, a trace is mapped onto the time-frequency domain. Then the time-frequency representation is mapped back onto the time domain by an appropriate operation. The computed instantaneous traveltime equals the recording time at those instances at which there is a seismic event, a feature that is used to pick the events. We analyzed the concept of the instantaneous traveltime and demonstrated the application of our automatic picking method on dynamite and Vibroseis field data.

  5. Compilation of Instantaneous Source Functions for Varying ...

    African Journals Online (AJOL)

    Compilation of Instantaneous Source Functions for Varying Architecture of a Layered Reservoir with Mixed Boundaries and Horizontal Well Completion Part III: B-Shaped Architecture with Vertical Well in the Upper Layer.

  6. Compilation of Instantaneous Source Functions for Varying ...

    African Journals Online (AJOL)

    Compilation of Instantaneous Source Functions for Varying Architecture of a Layered Reservoir with Mixed Boundaries and Horizontal Well Completion Part IV: Normal and Inverted Letter 'h' and 'H' Architecture.

  7. Effects of shear flow on phase nucleation and crystallization.

    Science.gov (United States)

    Mura, Federica; Zaccone, Alessio

    2016-04-01

    Classical nucleation theory offers a good framework for understanding the common features of new phase formation processes in metastable homogeneous media at rest. However, nucleation processes in liquids are ubiquitously affected by hydrodynamic flow, and there is no satisfactory understanding of whether shear promotes or slows down the nucleation process. We developed a classical nucleation theory for sheared systems starting from the molecular level of the Becker-Doering master kinetic equation and we analytically derived a closed-form expression for the nucleation rate. The theory accounts for the effect of flow-mediated transport of molecules to the nucleus of the new phase, as well as for the mechanical deformation imparted to the nucleus by the flow field. The competition between flow-induced molecular transport, which accelerates nucleation, and flow-induced nucleus straining, which lowers the nucleation rate by increasing the nucleation energy barrier, gives rise to a marked nonmonotonic dependence of the nucleation rate on the shear rate. The theory predicts an optimal shear rate at which the nucleation rate is one order of magnitude larger than in the absence of flow.

  8. 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.

  9. 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

  10. 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.

  11. Atmospheric nucleation: highlights of the EUCAARI project and future directions

    Directory of Open Access Journals (Sweden)

    V.-M. Kerminen

    2010-11-01

    Full Text Available Within the project EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions, atmospheric nucleation was studied by (i developing and testing new air ion and cluster spectrometers, (ii conducting homogeneous nucleation experiments for sulphate and organic systems in the laboratory, (iii investigating atmospheric nucleation mechanism under field conditions, and (iv applying new theoretical and modelling tools for data interpretation and development of parameterisations. The current paper provides a synthesis of the obtained results and identifies the remaining major knowledge gaps related to atmospheric nucleation. The most important technical achievement of the project was the development of new instruments for measuring sub-3 nm particle populations, along with the extensive application of these instruments in both the laboratory and the field. All the results obtained during EUCAARI indicate that sulphuric acid plays a central role in atmospheric nucleation. However, also vapours other than sulphuric acid are needed to explain the nucleation and the subsequent growth processes, at least in continental boundary layers. Candidate vapours in this respect are some organic compounds, ammonia, and especially amines. Both our field and laboratory data demonstrate that the nucleation rate scales to the first or second power of the nucleating vapour concentration(s. This agrees with the few earlier field observations, but is in stark contrast with classical thermodynamic nucleation theories. The average formation rates of 2-nm particles were found to vary by almost two orders of magnitude between the different EUCAARI sites, whereas the formation rates of charged 2-nm particles varied very little between the sites. Overall, our observations are indicative of frequent, yet moderate, ion-induced nucleation usually outweighed by much stronger neutral nucleation events in the continental lower troposphere. The most concrete

  12. Reflector homogenization

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez, R.; Ragusa, J.; Santandrea, S. [Commissariat a l' Energie Atomique, Direction de l' Energie Nucleaire, Service d' Etudes de Reacteurs et de Modelisation Avancee, CEA de Saclay, DM2S/SERMA 91 191 Gif-sur-Yvette cedex (France)]. e-mail: richard.sanchez@cea.fr

    2004-07-01

    The problem of the determination of a homogeneous reflector that preserves a set of prescribed albedo is considered. Duality is used for a direct estimation of the derivatives needed in the iterative calculation of the optimal homogeneous cross sections. The calculation is based on the preservation of collapsed multigroup albedo obtained from detailed reference calculations and depends on the low-order operator used for core calculations. In this work we analyze diffusion and transport as low-order operators and argue that the P{sub 0} transfers are the best choice for the unknown cross sections to be adjusted. Numerical results illustrate the new approach for SP{sub N} core calculations. (Author)

  13. 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.

  14. Computing Instantaneous Frequency by normalizing Hilbert Transform

    Science.gov (United States)

    Huang, Norden E.

    2005-05-31

    This invention presents Normalized Amplitude Hilbert Transform (NAHT) and Normalized Hilbert Transform(NHT), both of which are new methods for computing Instantaneous Frequency. This method is designed specifically to circumvent the limitation set by the Bedorsian and Nuttal Theorems, and to provide a sharp local measure of error when the quadrature and the Hilbert Transform do not agree. Motivation for this method is that straightforward application of the Hilbert Transform followed by taking the derivative of the phase-angle as the Instantaneous Frequency (IF) leads to a common mistake made up to this date. In order to make the Hilbert Transform method work, the data has to obey certain restrictions.

  15. Understanding nanoparticle-mediated nucleation pathways of anisotropic nanoparticles

    Science.gov (United States)

    Laramy, Christine R.; Fong, Lam-Kiu; Jones, Matthew R.; O'Brien, Matthew N.; Schatz, George C.; Mirkin, Chad A.

    2017-09-01

    Several seed-mediated syntheses of low symmetry anisotropic nanoparticles yield broad product distributions with multiple defect structures. This observation challenges the role of the nanoparticle precursor as a seed for certain syntheses and suggests the possibility of alternate nucleation pathways. Herein, we report a method to probe the role of the nanoparticle precursor in anisotropic nanoparticle nucleation with compositional and structural 'labels' to track their fate. We use the synthesis of gold triangular nanoprisms (Au TPs) as a model system. We propose a mechanism in which, rather than acting as a template, the nanoparticle precursor catalyzes homogenous nucleation of Au TPs.

  16. Nucleation and Growth Kinetics from LaMer Burst Data.

    Science.gov (United States)

    Chu, Daniel B K; Owen, Jonathan S; Peters, Baron

    2017-10-12

    In LaMer burst nucleation, the individual nucleation events happen en masse, quasi-simultaneously, and at nearly identical homogeneous conditions. These properties make LaMer burst nucleation important for applications that require monodispersed particles and also for theoretical analyses. Sugimoto and co-workers predicted that the number of nuclei generated during a LaMer burst depends only on the solute supply rate and the growth rate, independent of the nucleation kinetics. Some experiments confirm that solute supply kinetics control the number of nuclei, but flaws in the original theoretical analysis raise questions about the predicted roles of growth and nucleation kinetics. We provide a rigorous analysis of the coupled equations that govern concentrations of nuclei and solutes. Our analysis confirms that the number of nuclei is largely determined by the solute supply and growth rates, but our predicted relationship differs from that of Sugimoto et al. Moreover, we find that additional nucleus size dependent corrections should emerge in systems with slow growth kinetics. Finally, we show how the nucleation kinetics determine the particle size distribution. We suggest that measured particle size distributions might therefore provide ways to test theoretical models of homogeneous nucleation kinetics.

  17. Classical nucleation theory in the phase-field crystal model.

    Science.gov (United States)

    Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

    2018-04-01

    A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for traditional numerical techniques: commonly used phase-field methods' resolution does not extend to the atomic scales at which nucleation takes places, while atomistic methods such as molecular dynamics are incapable of scaling to the mesoscale regime where late-stage growth and structure formation takes place following earlier nucleation. Consequently, it is of interest to examine nucleation in the more recently proposed phase-field crystal (PFC) model, which attempts to bridge the atomic and mesoscale regimes in microstructure simulations. In this work, we numerically calculate homogeneous liquid-to-solid nucleation rates and incubation times in the simplest version of the PFC model, for various parameter choices. We show that the model naturally exhibits qualitative agreement with the predictions of classical nucleation theory (CNT) despite a lack of some explicit atomistic features presumed in CNT. We also examine the early appearance of lattice structure in nucleating grains, finding disagreement with some basic assumptions of CNT. We then argue that a quantitatively correct nucleation theory for the PFC model would require extending CNT to a multivariable theory.

  18. Modelling the role of compositional fluctuations in nucleation kinetics

    International Nuclear Information System (INIS)

    Ženíšek, J.; Kozeschnik, E.; Svoboda, J.; Fischer, F.D.

    2015-01-01

    The classical nucleation theory of precipitate nucleation in interstitial/substitutional alloys is applied to account for the influence of spatial A–B composition fluctuations in an A–B–C matrix on the kinetics of nucleation of (A,B) 3 C precipitates. A and B are substitutional elements in the matrix and C is an interstitial component, assumed to preferentially bind to B atoms. All lattice sites are considered as potential nucleation sites. The fluctuations of chemical composition result in a local variation of the nucleation probability. The nucleation sites are eliminated from the system if they are located in a C-depleted diffusion zone belonging to an already nucleated and growing precipitate. The chemistry is that of an Fe–Cr–C system, and the specific interface energy is treated as a free parameter. Random, regular and homogeneous A–B distributions in the matrix are simulated and compared for various values of the interface energy. An increasing enhancement of the role of compositional fluctuations on nucleation kinetics with increasing interface energy and decreasing chemical driving force is observed

  19. Classical nucleation theory in the phase-field crystal model

    Science.gov (United States)

    Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

    2018-04-01

    A full understanding of polycrystalline materials requires studying the process of nucleation, a thermally activated phase transition that typically occurs at atomistic scales. The numerical modeling of this process is problematic for traditional numerical techniques: commonly used phase-field methods' resolution does not extend to the atomic scales at which nucleation takes places, while atomistic methods such as molecular dynamics are incapable of scaling to the mesoscale regime where late-stage growth and structure formation takes place following earlier nucleation. Consequently, it is of interest to examine nucleation in the more recently proposed phase-field crystal (PFC) model, which attempts to bridge the atomic and mesoscale regimes in microstructure simulations. In this work, we numerically calculate homogeneous liquid-to-solid nucleation rates and incubation times in the simplest version of the PFC model, for various parameter choices. We show that the model naturally exhibits qualitative agreement with the predictions of classical nucleation theory (CNT) despite a lack of some explicit atomistic features presumed in CNT. We also examine the early appearance of lattice structure in nucleating grains, finding disagreement with some basic assumptions of CNT. We then argue that a quantitatively correct nucleation theory for the PFC model would require extending CNT to a multivariable theory.

  20. 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).

  1. 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

  2. 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.

  3. Onset of runaway nucleation in aerosol reactors

    Science.gov (United States)

    Wu, Jin Jwang; Flagan, Richard C.

    1987-01-01

    The onset of homogeneous nucleation of new particles from the products of gas phase chemical reactions was explored using an aerosol reactor in which seed particles of silicon were grown by silane pyrolysis. The transition from seed growth by cluster deposition to catastrophic nucleation was extremely abrupt, with as little as a 17 percent change in the reactant concentration leading to an increase in the concentration of measurable particles of four orders of magnitude. From the structure of the particles grown near this transition, it is apparent that much of the growth occurs by the accumulation of clusters on the growing seed particles. The time scale for cluster diffusion indicates, however, that the clusters responsible for growth must be much smaller than the apparent fine structure of the product particles.

  4. Investigating Freezing Point Depression and Cirrus Cloud Nucleation Mechanisms Using a Differential Scanning Calorimeter

    Science.gov (United States)

    Bodzewski, Kentaro Y.; Caylor, Ryan L.; Comstock, Ashley M.; Hadley, Austin T.; Imholt, Felisha M.; Kirwan, Kory D.; Oyama, Kira S.; Wise, Matthew E.

    2016-01-01

    A differential scanning calorimeter was used to study homogeneous nucleation of ice from micron-sized aqueous ammonium sulfate aerosol particles. It is important to understand the conditions at which these particles nucleate ice because of their connection to cirrus cloud formation. Additionally, the concept of freezing point depression, a topic…

  5. 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

  6. Availability analysis for heterogeneous nucleation in a uniform electric field

    CERN Document Server

    Saidi, M H

    2003-01-01

    Industrial demands for more compact heat exchangers are a motivation to find new technology features. Electrohydrodynamics (EHD) is introduced as a promising phenomenon for heat transfer enhancement mechanisms. Similar to any new technology, EHD has not been understood completely yet and require more fundamental studies. In boiling phase change phenomena, nucleation is the dominant mechanism in heat transfer. Because of higher performance in heat transfer, nucleate boiling is considered as the main regime in thermal components. Hence, bubble dynamic investigation is a means to evaluate heat transfer. This study investigate bubble formation, including homogeneous and heterogeneous nucleation, from a thermodynamic point of view. Change in availability due to bubble embryo nucleation is discussed. Stability criteria for these systems are theoretically studied and results are discussed considering experimental data. In addition, a conceptual discussion on entropy generation in a thermodynamic system under electri...

  7. Nucleation and growth mechanism of Co–Pt alloy nanowires electrodeposited within alumina template

    Energy Technology Data Exchange (ETDEWEB)

    Srivastav, Ajeet K., E-mail: srivastav.ajeet.kumar@gmail.com, E-mail: mm09d004@smail.iitm.ac.in [Indian Institute of Technology Madras, Department of Metallurgical and Materials Engineering (India); Shekhar, Rajiv [Indian Institute of Technology Kanpur, Department of Materials Science and Engineering (India)

    2015-01-15

    Co–Pt alloy nanowires were electrodeposited by direct current electrodeposition within nanoporous alumina templates with varying deposition potentials. The effect of deposition potential on nucleation and growth mechanisms during electrodeposition of Co–Pt alloy nanowires was investigated. The less negative deposition potential (−0.9 V) favours the instantaneous nucleation mechanism. The positive deviation from theoretical instantaneous and progressive nucleation mechanisms occurs at higher negative deposition potentials. The hysteresis behaviour and magnetic properties of electrodeposited Co–Pt alloy nanowires altered with varying deposition potential. The easy magnetization direction was in direction perpendicular to the wire axis. The deposition potential dependent change in hysteresis behaviour with increased coercivity and scattered remanence ratio was observed. This is attributed to better crystallinity with reduced defect density and hydrogen evolution causing structural changes at more negative deposition potentials.

  8. 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

  9. Six-channel instantaneous optical pyrometer

    International Nuclear Information System (INIS)

    Wang Guichao

    2001-01-01

    An instantaneous optical pyrometer to measure the spectral radiance of the materials shocked to high pressure has been developed. Thermal radiation emitted by the source is sampled at six wavelength bands from visible to near infrared spectrum. And the signal for each channel is separately transited through the optical fiber and then detected by photomultipliers and oscilloscopes with a time resolution of 20 ns. Shock temperatures ranging from 2400 to 9000 K could been reliably measured with an error less than 3%. The results of some experiments on air and NaI crystals are also given

  10. Overview: Nucleation of clathrate hydrates.

    Science.gov (United States)

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

    2016-12-07

    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.

  11. 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.

  12. 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.)

  13. Strategies to initiate and control the nucleation behavior of bimetallic nanoparticles.

    Science.gov (United States)

    Krishnan, Gopi; de Graaf, Sytze; Ten Brink, Gert H; Persson, Per O Å; Kooi, Bart J; Palasantzas, George

    2017-06-22

    In this work we report strategies to nucleate bimetallic nanoparticles (NPs) made by gas phase synthesis of elements showing difficulty in homogeneous nucleation. It is shown that the nucleation assisted problem of bimetallic NP synthesis can be solved via the following pathways: (i) selecting an element which can itself nucleate and act as a nucleation center for the synthesis of bimetallic NPs; (ii) introducing H 2 or CH 4 as an impurity/trace gas to initiate nucleation during the synthesis of bimetallic NPs. The latter can solve the problem if none of the elements in a bimetallic NP can initiate nucleation. We illustrate the abovementioned strategies for the case of Mg based bimetallic NPs, which are interesting as hydrogen storage materials and exhibit both nucleation and oxidation issues even under ultra-high vacuum conditions. In particular, it is shown that adding H 2 in small proportions favors the formation of a solid solution/alloy structure even in the case of immiscible Mg and Ti, where normally phase separation occurs during synthesis. In addition, we illustrate the possibility of improving the nucleation rate, and controlling the structure and size distribution of bimetallic NPs using H 2 /CH 4 as a reactive/nucleating gas. This is shown to be associated with the dimer bond energies of the various formed species and the vapor pressures of the metals, which are key factors for NP nucleation.

  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. Field of attention for instantaneous object recognition.

    Directory of Open Access Journals (Sweden)

    Jian-Gao Yao

    Full Text Available BACKGROUND: Instantaneous object discrimination and categorization are fundamental cognitive capacities performed with the guidance of visual attention. Visual attention enables selection of a salient object within a limited area of the visual field; we referred to as "field of attention" (FA. Though there is some evidence concerning the spatial extent of object recognition, the following questions still remain unknown: (a how large is the FA for rapid object categorization, (b how accuracy of attention is distributed over the FA, and (c how fast complex objects can be categorized when presented against backgrounds formed by natural scenes. METHODOLOGY/PRINCIPAL FINDINGS: To answer these questions, we used a visual perceptual task in which subjects were asked to focus their attention on a point while being required to categorize briefly flashed (20 ms photographs of natural scenes by indicating whether or not these contained an animal. By measuring the accuracy of categorization at different eccentricities from the fixation point, we were able to determine the spatial extent and the distribution of accuracy over the FA, as well as the speed of categorizing objects using stimulus onset asynchrony (SOA. Our results revealed that subjects are able to rapidly categorize complex natural images within about 0.1 s without eye movement, and showed that the FA for instantaneous image categorization covers a visual field extending 20° × 24°, and accuracy was highest (>90% at the center of FA and declined with increasing eccentricity. CONCLUSIONS/SIGNIFICANCE: In conclusion, human beings are able to categorize complex natural images at a glance over a large extent of the visual field without eye movement.

  16. Regularization of Instantaneous Frequency Attribute Computations

    Science.gov (United States)

    Yedlin, M. J.; Margrave, G. F.; Van Vorst, D. G.; Ben Horin, Y.

    2014-12-01

    We compare two different methods of computation of a temporally local frequency:1) A stabilized instantaneous frequency using the theory of the analytic signal.2) A temporally variant centroid (or dominant) frequency estimated from a time-frequency decomposition.The first method derives from Taner et al (1979) as modified by Fomel (2007) and utilizes the derivative of the instantaneous phase of the analytic signal. The second method computes the power centroid (Cohen, 1995) of the time-frequency spectrum, obtained using either the Gabor or Stockwell Transform. Common to both methods is the necessity of division by a diagonal matrix, which requires appropriate regularization.We modify Fomel's (2007) method by explicitly penalizing the roughness of the estimate. Following Farquharson and Oldenburg (2004), we employ both the L curve and GCV methods to obtain the smoothest model that fits the data in the L2 norm.Using synthetic data, quarry blast, earthquakes and the DPRK tests, our results suggest that the optimal method depends on the data. One of the main applications for this work is the discrimination between blast events and earthquakesFomel, Sergey. " Local seismic attributes." , Geophysics, 72.3 (2007): A29-A33.Cohen, Leon. " Time frequency analysis theory and applications." USA: Prentice Hall, (1995).Farquharson, Colin G., and Douglas W. Oldenburg. "A comparison of automatic techniques for estimating the regularization parameter in non-linear inverse problems." Geophysical Journal International 156.3 (2004): 411-425.Taner, M. Turhan, Fulton Koehler, and R. E. Sheriff. " Complex seismic trace analysis." Geophysics, 44.6 (1979): 1041-1063.

  17. Thermodynamic Derivation of the Activation Energy for Ice Nucleation

    Science.gov (United States)

    Barahona, D.

    2015-01-01

    Cirrus clouds play a key role in the radiative and hydrological balance of the upper troposphere. Their correct representation in atmospheric models requires an understanding of the microscopic processes leading to ice nucleation. A key parameter in the theoretical description of ice nucleation is the activation energy, which controls the flux of water molecules from the bulk of the liquid to the solid during the early stages of ice formation. In most studies it is estimated by direct association with the bulk properties of water, typically viscosity and self-diffusivity. As the environment in the ice-liquid interface may differ from that of the bulk, this approach may introduce bias in calculated nucleation rates. In this work a theoretical model is proposed to describe the transfer of water molecules across the ice-liquid interface. Within this framework the activation energy naturally emerges from the combination of the energy required to break hydrogen bonds in the liquid, i.e., the bulk diffusion process, and the work dissipated from the molecular rearrangement of water molecules within the ice-liquid interface. The new expression is introduced into a generalized form of classical nucleation theory. Even though no nucleation rate measurements are used to fit any of the parameters of the theory the predicted nucleation rate is in good agreement with experimental results, even at temperature as low as 190 K, where it tends to be underestimated by most models. It is shown that the activation energy has a strong dependency on temperature and a weak dependency on water activity. Such dependencies are masked by thermodynamic effects at temperatures typical of homogeneous freezing of cloud droplets; however, they may affect the formation of ice in haze aerosol particles. The new model provides an independent estimation of the activation energy and the homogeneous ice nucleation rate, and it may help to improve the interpretation of experimental results and the

  18. 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.

  19. 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.

  20. 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)

  1. 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

  2. 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)

  3. 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)

  4. 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.

  5. 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.

  6. Main features of nucleation in model solutions of oral cavity

    Science.gov (United States)

    Golovanova, O. A.; Chikanova, E. S.; Punin, Yu. O.

    2015-05-01

    The regularities of nucleation in model solutions of oral cavity have been investigated, and the induction order and constants have been determined for two systems: saliva and dental plaque fluid (DPF). It is shown that an increase in the initial supersaturation leads to a transition from the heterogeneous nucleation of crystallites to a homogeneous one. Some additives are found to enhance nucleation: HCO{3/-} > C6H12O6 > F-, while others hinder this process: protein (casein) > Mg2+. It is established that crystallization in DPF occurs more rapidly and the DPF composition is favorable for the growth of small (52.6-26.1 μm) crystallites. On the contrary, the conditions implemented in the model saliva solution facilitate the formation of larger (198.4-41.8 μm) crystals.

  7. Clustering of amines and hydrazines in atmospheric nucleation

    Science.gov (United States)

    Li, Siyang; Qu, Kun; Zhao, Hailiang; Ding, Lei; Du, Lin

    2016-06-01

    It has been proved that the presence of amines in the atmosphere can enhance aerosol formation. Hydrazine (HD) and its substituted derivatives, monomethylhydrazine (MMH) and unsymmetrical dimethylhydrazine (UDMH), which are organic derivatives of amine and ammonia, are common trace atmospheric species that may contribute to the growth of nucleation clusters. The structures of the hydrazine and amine clusters containing one or two common nucleation molecules (ammonia, water, methanol and sulfuric acid) have been optimized using density functional theory (DFT) methods. The clusters growth mechanism has been explored from the thermochemistry by calculating the Gibbs free energies of adding an ammonia, water, methanol or sulfuric acid molecule step by step at room temperature, respectively. The results show that hydrazine and its derivatives could enhance heteromolecular homogeneous nucleation in the earth's atmosphere.

  8. 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.)

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. Instantaneous global nitrous oxide photochemical rates

    International Nuclear Information System (INIS)

    Johnston, H.S.; Serang, O.; Podolske, J.

    1979-01-01

    In recent years, vertical profiles of nitrous oxide have been measured by balloon up to midstratosphere at several latitudes between 63 0 N and 73 0 S, including one profile in the tropical zone at 9 0 N. Two rocket flights measured nitrous oxide mixing ratios at 44 and 49 km. From these experimental data plus a large amount of interpolation and extrapolation, we have estimated a global distribution of nitrous oxide up to the altitude of 50 km. With standard global distributions of oxygen and ozone we carried out instantaneous, three-dimensional, global photochemical calculations, using recently measured temperature-dependent cross sections for nitrous oxide. The altitude of maximum photolysis rate of N 2 O is about 30 km at all latitudes, and the rate of photolysis is a maximum in tropical latitudes. The altitude of maximum rate of formation of nitric oxide is latitude dependent, about 26 km at the equator, about 23 km over temperate zones, and 20 km at the summer pole. The global rate of N 2 O destruction is 6.2 x 10 27 molecules s -1 , and the global rate of formation of NO from N 2 O is 1.4 x 10 27 molecules s -1 . The global N 2 O inventory divided by the stratospheric loss rate gives a residence time of about 175 years with respect to this loss process. From the global average N 2 O profile a vertical eddy diffusion profile was derived, and this profile agrees very closely with that of Stewart and Hoffert

  14. In Brief: Online database for instantaneous streamflow data

    Science.gov (United States)

    Showstack, Randy

    2007-11-01

    Access to U.S. Geological Survey (USGS) historical instantaneous streamflow discharge data, dating from around 1990, is now available online through the Instantaneous Data Archive (IDA), the USGS announced on 14 November. In this new system, users can find streamflow information reported at the time intervals at which it is collected, typically 15-minute to hourly intervals. Although instantaneous data have been available for many years, they were not accessible through the Internet. Robert Hirsch, USGS Associate Director of Water, said, ``A user-friendly archive of historical instantaneous streamflow data is important to many different users for such things as floodplain mapping, flood modeling, and estimating pollutant transport.''The site currently has about 1.5 billion instantaneous data values from 5500 stream gages in 26 states. The number of states and stream gages with data will continue to increase, according to the USGS. For more information, visit the Web site: http://ida.water.usgs.gov/ida/.

  15. Effects of Instantaneous Multiband Dynamic Compression on Speech Intelligibility

    Directory of Open Access Journals (Sweden)

    Herzke Tobias

    2005-01-01

    Full Text Available The recruitment phenomenon, that is, the reduced dynamic range between threshold and uncomfortable level, is attributed to the loss of instantaneous dynamic compression on the basilar membrane. Despite this, hearing aids commonly use slow-acting dynamic compression for its compensation, because this was found to be the most successful strategy in terms of speech quality and intelligibility rehabilitation. Former attempts to use fast-acting compression gave ambiguous results, raising the question as to whether auditory-based recruitment compensation by instantaneous compression is in principle applicable in hearing aids. This study thus investigates instantaneous multiband dynamic compression based on an auditory filterbank. Instantaneous envelope compression is performed in each frequency band of a gammatone filterbank, which provides a combination of time and frequency resolution comparable to the normal healthy cochlea. The gain characteristics used for dynamic compression are deduced from categorical loudness scaling. In speech intelligibility tests, the instantaneous dynamic compression scheme was compared against a linear amplification scheme, which used the same filterbank for frequency analysis, but employed constant gain factors that restored the sound level for medium perceived loudness in each frequency band. In subjective comparisons, five of nine subjects preferred the linear amplification scheme and would not accept the instantaneous dynamic compression in hearing aids. Four of nine subjects did not perceive any quality differences. A sentence intelligibility test in noise (Oldenburg sentence test showed little to no negative effects of the instantaneous dynamic compression, compared to linear amplification. A word intelligibility test in quiet (one-syllable rhyme test showed that the subjects benefit from the larger amplification at low levels provided by instantaneous dynamic compression. Further analysis showed that the increase

  16. The barrier to ice nucleation in monatomic water

    Science.gov (United States)

    Prestipino, Santi

    2018-03-01

    Crystallization from a supercooled liquid initially proceeds via the formation of a small solid embryo (nucleus), which requires surmounting an activation barrier. This phenomenon is most easily studied by numerical simulation, using specialized biased-sampling techniques to overcome the limitations imposed by the rarity of nucleation events. Here, I focus on the barrier to homogeneous ice nucleation in supercooled water, as represented by the monatomic-water model, which in the bulk exhibits a complex interplay between different ice structures. I consider various protocols to identify solidlike particles on a computer, which perform well enough for the Lennard-Jones model, and compare their respective impact on the shape and height of the nucleation barrier. It turns out that the effect is stronger on the nucleus size than on the barrier height. As a by-product of the analysis, I determine the structure of the nucleation cluster, finding that the relative amount of ice phases in the cluster heavily depends on the method used for classifying solidlike particles. Moreover, the phase which is most favored during the earlier stages of crystallization may happen, depending on the nucleation coordinate adopted, to be different from the stable polymorph. Therefore, the quality of a reaction coordinate cannot be assessed simply on the basis of the barrier height obtained. I explain how this outcome is possible and why it just points out the shortcoming of collective variables appropriate to simple fluids in providing a robust method of particle classification for monatomic water.

  17. 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.

  18. 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)

  19. 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

  20. 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.

  1. 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

  2. Qualitative analysis of MTEM response using instantaneous attributes

    Science.gov (United States)

    Fayemi, Olalekan; Di, Qingyun

    2017-11-01

    This paper introduces new technique for qualitative analysis of multi-transient electromagnetic (MTEM) earth impulse response over complex geological structures. Instantaneous phase and frequency attributes were used in place of the conventional common offset section for improved qualitative interpretation of MTEM data by obtaining more detailed information from the earth impulse response. The instantaneous attributes were used to describe the lateral variation in subsurface resistivity and the visible geological structure with respect to given offsets. Instantaneous phase attribute was obtained by converting the impulse response into a complex form using the Hilbert transform. Conversely, the polynomial phase difference (PPD) estimator was favored over the center finite difference (CFD) approximation method in calculating the instantaneous frequency attribute because it is computationally efficient and has the ability to give a smooth variation of the instantaneous frequency over a common offset section. The observed results from the instantaneous attributes were in good agreement with both the subsurface model used and the apparent resistivity section obtained from the MTEM earth impulse response. Hence, this study confirms the capability of both instantaneous phase and frequency attributes as highly effective tools for MTEM qualitative analysis.

  3. Collaborative Research: failure of RockMasses from Nucleation and Growth of Microscopic Defects and Disorder

    Energy Technology Data Exchange (ETDEWEB)

    Klein, William [Boston Univ., MA (United States)

    2016-09-12

    Over the 21 years of funding we have pursued several projects related to earthquakes, damage and nucleation. We developed simple models of earthquake faults which we studied to understand Gutenburg-Richter scaling, foreshocks and aftershocks, the effect of spatial structure of the faults and its interaction with underlying self organization and phase transitions. In addition we studied the formation of amorphous solids via the glass transition. We have also studied nucleation with a particular concentration on transitions in systems with a spatial symmetry change. In addition we investigated the nucleation process in models that mimic rock masses. We obtained the structure of the droplet in both homogeneous and heterogeneous nucleation. We also investigated the effect of defects or asperities on the nucleation of failure in simple models of earthquake faults.

  4. Instantaneous interactions of hadrons on the light cone

    International Nuclear Information System (INIS)

    Hyer, T.

    1994-01-01

    Hadron wave functions are most naturally defined in the framework of light-cone quantization, a Hamiltonian formulation quantized at equal light-cone ''time'' τ≡t+z. One feature of the light-cone perturbation theory is the presence of instantaneous interactions, which complicate the consideration of processes involving bound states. We show that these interactions can be written in a simple and general form, parametrized by an instantaneous contribution ψ to the hadronic wave function. We use the rotational invariance of Feynman diagrams to relate this instantaneous piece of the meson wave function to the propagating part, and to obtain constraints relating wave functions and quark fragmentation amplitudes

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

    Science.gov (United States)

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

    2016-09-20

    water chemistry and substrate identity on heterogeneously and homogeneously formed nanoscale precipitate size dimensions and total particle volume. Using this technique, we also provided a new platform for quantitatively comparing between heterogeneous and homogeneous nucleation and growth of nanoparticles and obtaining undiscovered interfacial energies between nuclei and surfaces. In addition, nanoscale surface characterization tools, such as in situ atomic force microscopy (AFM), were utilized to support and complement our findings. With these powerful nanoscale tools, we systematically evaluated the influences of environmentally abundant (oxy)anions and cations and the properties of environmental surfaces, such as surface charge and hydrophobicity. The findings, significantly enhanced by in situ observations, can lead to a more accurate prediction of the behaviors of nanoparticles in the environment and enable better control of the physicochemical properties of nanoparticles in engineered systems, such as catalytic reactions and energy storage.

  6. 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.)

  7. Nucleation of voids. Final report, October 1, 1971--January 31, 1977

    International Nuclear Information System (INIS)

    Katz, J.L.

    1977-10-01

    The successful prediction of the conditions under which nucleation occurs in metals, as a result of the high concentrations of vacancies and interstitial atoms (and gas atoms) present in reactor environments, has been accomplished by (1) generalizing homogeneous nucleation theory to account for nucleation of matter (i.e., vacancies) in the presence of its antimatter (i.e., interstitials), (2) further generalizing the theory to account for the effects of both trapped and soluble gas, and (3) modifying the theory to describe interstitial loop formation and including the effects of external stress

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. Mechanical Homogenization Increases Bacterial Homogeneity in Sputum

    Science.gov (United States)

    Stokell, Joshua R.; Khan, Ammad

    2014-01-01

    Sputum obtained from patients with cystic fibrosis (CF) is highly viscous and often heterogeneous in bacterial distribution. Adding dithiothreitol (DTT) is the standard method for liquefaction prior to processing sputum for molecular detection assays. To determine if DTT treatment homogenizes the bacterial distribution within sputum, we measured the difference in mean total bacterial abundance and abundance of Burkholderia multivorans between aliquots of DTT-treated sputum samples with and without a mechanical homogenization (MH) step using a high-speed dispersing element. Additionally, we measured the effect of MH on bacterial abundance. We found a significant difference between the mean bacterial abundances in aliquots that were subjected to only DTT treatment and those of the aliquots which included an MH step (all bacteria, P = 0.04; B. multivorans, P = 0.05). There was no significant effect of MH on bacterial abundance in sputum. Although our results are from a single CF patient, they indicate that mechanical homogenization increases the homogeneity of bacteria in sputum. PMID:24759710

  13. Improved success of sparse matrix protein crystallization screening with heterogeneous nucleating agents.

    Directory of Open Access Journals (Sweden)

    Anil S Thakur

    2007-10-01

    Full Text Available Crystallization is a major bottleneck in the process of macromolecular structure determination by X-ray crystallography. Successful crystallization requires the formation of nuclei and their subsequent growth to crystals of suitable size. Crystal growth generally occurs spontaneously in a supersaturated solution as a result of homogenous nucleation. However, in a typical sparse matrix screening experiment, precipitant and protein concentration are not sampled extensively, and supersaturation conditions suitable for nucleation are often missed.We tested the effect of nine potential heterogenous nucleating agents on crystallization of ten test proteins in a sparse matrix screen. Several nucleating agents induced crystal formation under conditions where no crystallization occurred in the absence of the nucleating agent. Four nucleating agents: dried seaweed; horse hair; cellulose and hydroxyapatite, had a considerable overall positive effect on crystallization success. This effect was further enhanced when these nucleating agents were used in combination with each other.Our results suggest that the addition of heterogeneous nucleating agents increases the chances of crystal formation when using sparse matrix screens.

  14. Functionality and homogeneity.

    NARCIS (Netherlands)

    2011-01-01

    Functionality and homogeneity are two of the five Sustainable Safety principles. The functionality principle aims for roads to have but one exclusive function and distinguishes between traffic function (flow) and access function (residence). The homogeneity principle aims at differences in mass,

  15. Nucleation and dissociation of nano-particles in gas phase

    International Nuclear Information System (INIS)

    Feiden, P.

    2007-09-01

    This work deals with the study of nano-particles formation in gas phase and their dissociation pathways after an optical excitation. The clusters formation decomposes in two steps: a seed is formed (nucleation phase) and sticks atoms during its propagation in a sodium atomic vapor (growth phase). Those two steps have been observed separately for homogeneous Na n and heterogeneous Na n X particles (X = (NaOH) 2 or (Na 2 O) 2 ). The growth mechanism is well interpreted by a Monte Carlo simulation taking into account an accretion mechanism with hard-sphere cross section. The homogeneous nucleation mechanism has been highlighted by a direct comparison with the Classical Nucleation Theory predictions. The clusters fragmentation of ionic Na + (NaOH) p et Na + (NaF) p particles is studied in the second part. The way clusters fragment with size when they are excited optically is compared with theoretical previsions: this highlights the existence of an energetic barrier for special size of clusters. Finally, the fragmentation of doubly charged Na + Na + (NaOH) p clusters shows a competition between the fission into two single charged fragments and the unimolecular evaporation of a neutral fragment. (author)

  16. 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...

  17. Homogenization of Mammalian Cells.

    Science.gov (United States)

    de Araújo, Mariana E G; Lamberti, Giorgia; Huber, Lukas A

    2015-11-02

    Homogenization is the name given to the methodological steps necessary for releasing organelles and other cellular constituents as a free suspension of intact individual components. Most homogenization procedures used for mammalian cells (e.g., cavitation pump and Dounce homogenizer) rely on mechanical force to break the plasma membrane and may be supplemented with osmotic or temperature alterations to facilitate membrane disruption. In this protocol, we describe a syringe-based homogenization method that does not require specialized equipment, is easy to handle, and gives reproducible results. The method may be adapted for cells that require hypotonic shock before homogenization. We routinely use it as part of our workflow to isolate endocytic organelles from mammalian cells. © 2015 Cold Spring Harbor Laboratory Press.

  18. Modelling of cirrus clouds – Part 2: Competition of different nucleation mechanisms

    Directory of Open Access Journals (Sweden)

    P. Spichtinger

    2009-04-01

    Full Text Available We study the competition of two different freezing mechanisms (homogeneous and heterogeneous freezing in the same environment for cold cirrus clouds. To this goal we use the recently developed and validated ice microphysics scheme (Spichtinger and Gierens, 2009a which distinguishes between ice classes according to their formation process. We investigate cases with purely homogeneous ice formation and compare them with cases where background ice nuclei in varying concentration heterogeneously form ice prior to homogeneous nucleation. We perform additionally a couple of sensitivity studies regarding threshold humidity for heterogeneous freezing, uplift speed, and ambient temperature, and we study the influence of random motions induced by temperature fluctuations in the clouds. We find three types of cloud evolution, homogeneously dominated, heterogeneously dominated, and a mixed type where neither nucleation process dominates. The latter case is prone to long–lasting in–cloud ice supersaturation of the order 30% and more.

  19. 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)

  20. Nucleation and dissociation of nano-particles in gas phase; Nucleation et evaporation de nanoparticules en phase gazeuse

    Energy Technology Data Exchange (ETDEWEB)

    Feiden, P

    2007-09-15

    This work deals with the study of nano-particles formation in gas phase and their dissociation pathways after an optical excitation. The clusters formation decomposes in two steps: a seed is formed (nucleation phase) and sticks atoms during its propagation in a sodium atomic vapor (growth phase). Those two steps have been observed separately for homogeneous Na{sub n} and heterogeneous Na{sub n}X particles (X = (NaOH){sub 2} or (Na{sub 2}O){sub 2}). The growth mechanism is well interpreted by a Monte Carlo simulation taking into account an accretion mechanism with hard-sphere cross section. The homogeneous nucleation mechanism has been highlighted by a direct comparison with the Classical Nucleation Theory predictions. The clusters fragmentation of ionic Na{sup +}(NaOH){sub p} et Na{sup +}(NaF){sub p} particles is studied in the second part. The way clusters fragment with size when they are excited optically is compared with theoretical previsions: this highlights the existence of an energetic barrier for special size of clusters. Finally, the fragmentation of doubly charged Na{sup +} Na{sup +} (NaOH){sub p} clusters shows a competition between the fission into two single charged fragments and the unimolecular evaporation of a neutral fragment. (author)

  1. The SPH homogeneization method

    International Nuclear Information System (INIS)

    Kavenoky, Alain

    1978-01-01

    The homogeneization of a uniform lattice is a rather well understood topic while difficult problems arise if the lattice becomes irregular. The SPH homogeneization method is an attempt to generate homogeneized cross sections for an irregular lattice. Section 1 summarizes the treatment of an isolated cylindrical cell with an entering surface current (in one velocity theory); Section 2 is devoted to the extension of the SPH method to assembly problems. Finally Section 3 presents the generalisation to general multigroup problems. Numerical results are obtained for a PXR rod bundle assembly in Section 4

  2. Homogeneity of Inorganic Glasses

    DEFF Research Database (Denmark)

    Jensen, Martin; Zhang, L.; Keding, Ralf

    2011-01-01

    Homogeneity of glasses is a key factor determining their physical and chemical properties and overall quality. However, quantification of the homogeneity of a variety of glasses is still a challenge for glass scientists and technologists. Here, we show a simple approach by which the homogeneity...... of different glass products can be quantified and ranked. This approach is based on determination of both the optical intensity and dimension of the striations in glasses. These two characteristic values areobtained using the image processing method established recently. The logarithmic ratio between...

  3. Instantaneous lineshape analysis of Fourier domain mode-locked lasers.

    Science.gov (United States)

    Todor, Sebastian; Biedermann, Benjamin; Wieser, Wolfgang; Huber, Robert; Jirauschek, Christian

    2011-04-25

    We present a theoretical and experimental analysis of the instantaneous lineshape of Fourier domain mode-locked (FDML) lasers, yielding good agreement. The simulations are performed employing a recently introduced model for FDML operation. Linewidths around 10 GHz are found, which is significantly below the sweep filter bandwidth. The effect of detuning between the sweep filter drive frequency and cavity roundtrip time is studied revealing features that cannot be resolved in the experiment, and shifting of the instantaneous power spectrum against the sweep filter center frequency is analyzed. We show that, in contrast to most other semiconductor based lasers, the instantaneous linewidth is governed neither by external noise sources nor by amplified spontaneous emission, but it is directly determined by the complex FDML dynamics.

  4. Instantaneous axial velocity of a radioactive tracer determined with radioactive particle tracking

    Energy Technology Data Exchange (ETDEWEB)

    Fraguio, Maria Sol; Cassanello, Miryan C., E-mail: miryan@di.fcen.uba.a [Universidad de Buenos Aires (Argentina). Facultad de Ciencias Exactas y Naturales. Programa de Investigacion y Desarrollo de Fuentes Alternativas de Materias Primas y Energia (PINMATE); Cardona, Maria Angelica; Hojman, Daniel, E-mail: cardona@tandar.cnea.gov.a [CONICET, Buenos Aires (Argentina); Somacal, Hector [Comision Nacional de Energia Atomica (CNEA), Buenos Aires (Argentina). Centro Atomico Constituyentes. Dept. de Fisica

    2009-07-01

    Radioactive Particle Tracking (RPT) is a technique that has been successfully used to get features of the liquid and/or the solid motion in multiphase contactors. It is one of the rare techniques able to provide experimental data in dense and strongly turbulent multiphase media. Validation of the technique has always been based on comparing the estimated mean velocity to an imposed mean velocity although the extracted features are frequently related to the instantaneous velocities. The present work pursues the analysis, through calibration experiments, of the ability of RPT to get the actual tracer instantaneous velocities. With this purpose, the motion of a radioactive tracer attached to a moving rod driven by a pneumatic system is reconstructed from the combined response of an array of 10 NaI(Tl) scintillation detectors. Simultaneously, the tracer motion is registered through an encoder able to establish the axial tracer coordinate with high precision and high time resolution. The tracer is a gold particle, activated by neutron bombardment. The rod is moved at different velocities and it travels upwards and downwards close to the column centre. A mini-pilot scale bubble column is used as the test facility. The model liquid is tap water in batch mode and the gas is air, flowing at different gas velocities, spanning the homogeneous and the heterogeneous flow regimes. Time series of the entirety response of all the detectors, while the rod is moving at different imposed velocities within the two phase emulsion, are measured with a sampling period of 0.03 s during about 2 minutes. The instantaneous tracer positions and velocities reconstructed from RPT and the one obtained from the encoder response are compared under different operating conditions and for different tracer velocities. (author)

  5. 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)

  6. The instantaneous shear modulus in the shoving model

    DEFF Research Database (Denmark)

    Dyre, J. C.; Wang, W. H.

    2012-01-01

    We point out that the instantaneous shear modulus G∞ of the shoving model for the non-Arrhenius temperature dependence of viscous liquids’ relaxation time is the experimentally accessible highfrequency plateau modulus, not the idealized instantaneous affine shear modulus that cannot be measured....... Data for a large selection of metallic glasses are compared to three different versions of the shoving model. The original shear-modulus based version shows a slight correlation to the Poisson ratio, which is eliminated by the energy-landscape formulation of the model in which the bulk modulus plays...

  7. Benchmarking monthly homogenization algorithms

    Science.gov (United States)

    Venema, V. K. C.; Mestre, O.; Aguilar, E.; Auer, I.; Guijarro, J. A.; Domonkos, P.; Vertacnik, G.; Szentimrey, T.; Stepanek, P.; Zahradnicek, P.; Viarre, J.; Müller-Westermeier, G.; Lakatos, M.; Williams, C. N.; Menne, M.; Lindau, R.; Rasol, D.; Rustemeier, E.; Kolokythas, K.; Marinova, T.; Andresen, L.; Acquaotta, F.; Fratianni, S.; Cheval, S.; Klancar, M.; Brunetti, M.; Gruber, C.; Prohom Duran, M.; Likso, T.; Esteban, P.; Brandsma, T.

    2011-08-01

    The COST (European Cooperation in Science and Technology) Action ES0601: Advances in homogenization methods of climate series: an integrated approach (HOME) has executed a blind intercomparison and validation study for monthly homogenization algorithms. Time series of monthly temperature and precipitation were evaluated because of their importance for climate studies and because they represent two important types of statistics (additive and multiplicative). The algorithms were validated against a realistic benchmark dataset. The benchmark contains real inhomogeneous data as well as simulated data with inserted inhomogeneities. Random break-type inhomogeneities were added to the simulated datasets modeled as a Poisson process with normally distributed breakpoint sizes. To approximate real world conditions, breaks were introduced that occur simultaneously in multiple station series within a simulated network of station data. The simulated time series also contained outliers, missing data periods and local station trends. Further, a stochastic nonlinear global (network-wide) trend was added. Participants provided 25 separate homogenized contributions as part of the blind study as well as 22 additional solutions submitted after the details of the imposed inhomogeneities were revealed. These homogenized datasets were assessed by a number of performance metrics including (i) the centered root mean square error relative to the true homogeneous value at various averaging scales, (ii) the error in linear trend estimates and (iii) traditional contingency skill scores. The metrics were computed both using the individual station series as well as the network average regional series. The performance of the contributions depends significantly on the error metric considered. Contingency scores by themselves are not very informative. Although relative homogenization algorithms typically improve the homogeneity of temperature data, only the best ones improve precipitation data

  8. 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...

  9. 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.

  10. Single Particle Laser Mass Spectrometry Applied to Differential Ice Nucleation Experiments at the AIDA Chamber

    International Nuclear Information System (INIS)

    Gallavardin, S. J.; Froyd, Karl D.; Lohmann, U.; Moehler, Ottmar; Murphy, Daniel M.; Cziczo, Dan

    2008-01-01

    Experiments conducted at the Aerosol Interactions and Dynamics in the Atmosphere (AIDA) chamber located in Karlsruhe, Germany permit investigation of particle properties that affect the nucleation of ice at temperature and water vapor conditions relevant to cloud microphysics and climate issues. Ice clouds were generated by heterogeneous nucleation of Arizona test dust (ATD), illite, and hematite and homogeneous nucleation of sulfuric acid. Ice crystals formed in the chamber were inertially separated from unactivated, or 'interstitial' aerosol particles with a pumped counterflow virtual impactor (PCVI), then evaporated. The ice residue (i.e., the aerosol which initiated ice nucleation plus any material which was scavenged from the gas- and/or particle-phase), was chemically characterized at the single particle level using a laser ionization mass spectrometer. In this manner the species that first nucleated ice could be identified out of a mixed aerosol population in the chamber. Bare mineral dust particles were more effective ice nuclei (IN) than similar particles with a coating. Metallic particles from contamination in the chamber initiated ice nucleation before other species but there were few enough that they did not compromise the experiments. Nitrate, sulfate, and organics were often detected on particles and ice residue, evidently from scavenging of trace gas-phase species in the chamber. Hematite was a more effective ice nucleus than illite. Ice residue was frequently larger than unactivated test aerosol due to the formation of aggregates due to scavenging, condensation of contaminant gases, and the predominance of larger aerosol in nucleation

  11. 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.

  12. 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

  13. Analysis of nonlinear behavior of loudspeakers using the instantaneous frequency

    DEFF Research Database (Denmark)

    Huang, Hai; Jacobsen, Finn

    2003-01-01

    on the Fourier transform. In this work, a new method using the instantaneous frequency is introduced for describing and characterizing loudspeaker nonlinearities. First, numerical integration is applied to simulate the nonlinearities of loudspeakers caused by two nonlinear parameters, force factor and stiffness...

  14. Instantaneous Rayleigh scattering from excitons localized in monolayer islands

    DEFF Research Database (Denmark)

    Langbein, Wolfgang; Leosson, Kristjan; Jensen, Jacob Riis

    2000-01-01

    We show that the initial dynamics of Rayleigh scattering from excitons in quantum wells can be either instantaneous or delayed, depending on the exciton ensemble studied. For excitation of the entire exciton resonance, a finite rise time given by the inverse inhomogeneous broadening: of the exciton...

  15. Instantaneous Switching Processes in Quasi-Linear Circuits

    Directory of Open Access Journals (Sweden)

    Rositsa Angelova

    2004-01-01

    Full Text Available The paper considers instantaneous processes in electrical circuits produced by the stepwise change of the capacitance of the capacitor and the inductance of the inductor and by the switching on and switching off of the circuit. In order to determine the set of electrical circuits, for which it is possible to explicitly obtain the values of the currents and the voltages at the end of the instantaneous process, a classification of the networks with nonlinear elements is introduced in the paper. The instantaneous switching process in the moment t0 is approximated when T->t0 with a sequence of processes in the interval [t0, T]. For quasi-linear inductive and capacitive circuits; we present the type of the system satisfied by the currents and the voltages, the charges, as well as the fluxes in the interval [t0, T]. From this system, after passage to the limit T->t0, we obtain the formulas for the values of the circuits at the end of the instantaneous process. The obtained results are applied for the analysis of particular processes.

  16. Instantaneous planar pressure determination from PIV in turbulent flow

    NARCIS (Netherlands)

    De Kat, R.; Van Oudheusden, B.W.

    2011-01-01

    This paper deals with the determination of instantaneous planar pressure fields from velocity data obtained by particle image velocimetry (PIV) in turbulent flow. The operating principles of pressure determination using a Eulerian or a Lagrangian approach are described together with theoretical

  17. Instantaneous sediment transport model for asymmetric oscillatory sheet flow.

    Directory of Open Access Journals (Sweden)

    Xin Chen

    Full Text Available On the basis of advanced concentration and velocity profiles above a mobile seabed, an instantaneous analytical model is derived for sediment transport in asymmetric oscillatory flow. The applied concentration profile is obtained from the classical exponential law based on mass conservation, and asymmetric velocity profile is developed following the turbulent boundary layer theory and the asymmetric wave theory. The proposed model includes two parts: the basic part that consists of erosion depth and free stream velocity, and can be simplified to the total Shields parameter power 3/2 in accordance with the classical empirical models, and the extra vital part that consists of phase-lead, boundary layer thickness and erosion depth. The effects of suspended sediment, phase-lag and asymmetric boundary layer development are considered particularly in the model. The observed instantaneous transport rate proportional to different velocity exponents due to phase-lag is unified and summarised by the proposed model. Both instantaneous and half period empirical formulas are compared with the developed model, using extensive data on a wide range of flow and sediment conditions. The synchronous variation in instantaneous transport rate with free stream velocity and its decrement caused by increased sediment size are predicted correctly. Net transport rates, especially offshore transport rates with large phase-lag under velocity skewed flows, which existing instantaneous type formulas failed to predict, are predicted correctly in both direction and magnitude by the proposed model. Net sediment transport rates are affected not only by suspended sediment and phase-lag, but also by the boundary layer difference between onshore and offshore.

  18. 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

  19. 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)

  20. 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

  1. 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

  2. Homogenization approach in engineering

    International Nuclear Information System (INIS)

    Babuska, I.

    1975-10-01

    Homogenization is an approach which studies the macrobehavior of a medium by its microproperties. Problems with a microstructure play an essential role in such fields as mechanics, chemistry, physics, and reactor engineering. Attention is concentrated on a simple specific model problem to illustrate results and problems typical of the homogenization approach. Only the diffusion problem is treated here, but some statements are made about the elasticity of composite materials. The differential equation is solved for linear cases with and without boundaries and for the nonlinear case. 3 figures, 1 table

  3. 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.

  4. Taking directions: the role of microtubule-bound nucleation in the self-organization of the plant cortical array

    International Nuclear Information System (INIS)

    Deinum, Eva E; Tindemans, Simon H; Mulder, Bela M

    2011-01-01

    The highly aligned cortical microtubule array of interphase plant cells is a key regulator of anisotropic cell expansion. Recent computational and analytical work has shown that the non-equilibrium self-organization of this structure can be understood on the basis of experimentally observed collisional interactions between dynamic microtubules attached to the plasma membrane. Most of these approaches assumed that new microtubules are homogeneously and isotropically nucleated on the cortical surface. Experimental evidence, however, shows that nucleation mostly occurs from other microtubules and under specific relative angles. Here, we investigate the impact of directed microtubule-bound nucleations on the alignment process using computer simulations. The results show that microtubule-bound nucleations can increase the degree of alignment achieved, decrease the timescale of the ordering process and widen the regime of dynamic parameters for which the system can self-organize. We establish that the major determinant of this effect is the degree of co-alignment of the nucleations with the parent microtubule. The specific role of sideways branching nucleations appears to allow stronger alignment while maintaining a measure of overall spatial homogeneity. Finally, we investigate the suggestion that observed persistent rotation of microtubule domains can be explained through a handedness bias in microtubule-bound nucleations, showing that this is possible only for an extreme bias and over a limited range of parameters

  5. Taking directions: the role of microtubule-bound nucleation in the self-organization of the plant cortical array

    Science.gov (United States)

    Deinum, Eva E.; Tindemans, Simon H.; Mulder, Bela M.

    2011-10-01

    The highly aligned cortical microtubule array of interphase plant cells is a key regulator of anisotropic cell expansion. Recent computational and analytical work has shown that the non-equilibrium self-organization of this structure can be understood on the basis of experimentally observed collisional interactions between dynamic microtubules attached to the plasma membrane. Most of these approaches assumed that new microtubules are homogeneously and isotropically nucleated on the cortical surface. Experimental evidence, however, shows that nucleation mostly occurs from other microtubules and under specific relative angles. Here, we investigate the impact of directed microtubule-bound nucleations on the alignment process using computer simulations. The results show that microtubule-bound nucleations can increase the degree of alignment achieved, decrease the timescale of the ordering process and widen the regime of dynamic parameters for which the system can self-organize. We establish that the major determinant of this effect is the degree of co-alignment of the nucleations with the parent microtubule. The specific role of sideways branching nucleations appears to allow stronger alignment while maintaining a measure of overall spatial homogeneity. Finally, we investigate the suggestion that observed persistent rotation of microtubule domains can be explained through a handedness bias in microtubule-bound nucleations, showing that this is possible only for an extreme bias and over a limited range of parameters.

  6. Homogeneous bilateral block shifts

    Indian Academy of Sciences (India)

    Douglas class were classified in [3]; they are unilateral block shifts of arbitrary block size (i.e. dim H(n) can be anything). However, no examples of irreducible homogeneous bilateral block shifts of block size larger than 1 were known until now.

  7. Homogeneity and Entropy

    Science.gov (United States)

    Tignanelli, H. L.; Vazquez, R. A.; Mostaccio, C.; Gordillo, S.; Plastino, A.

    1990-11-01

    RESUMEN. Presentamos una metodologia de analisis de la homogeneidad a partir de la Teoria de la Informaci6n, aplicable a muestras de datos observacionales. ABSTRACT:Standard concepts that underlie Information Theory are employed in order design a methodology that enables one to analyze the homogeneity of a given data sample. Key : DATA ANALYSIS

  8. Homogeneous Poisson structures

    International Nuclear Information System (INIS)

    Shafei Deh Abad, A.; Malek, F.

    1993-09-01

    We provide an algebraic definition for Schouten product and give a decomposition for any homogenenous Poisson structure in any n-dimensional vector space. A large class of n-homogeneous Poisson structures in R k is also characterized. (author). 4 refs

  9. Non-equilibrium Quasi-Chemical Nucleation Model

    Science.gov (United States)

    Gorbachev, Yuriy E.

    2018-04-01

    Quasi-chemical model, which is widely used for nucleation description, is revised on the basis of recent results in studying of non-equilibrium effects in reacting gas mixtures (Kolesnichenko and Gorbachev in Appl Math Model 34:3778-3790, 2010; Shock Waves 23:635-648, 2013; Shock Waves 27:333-374, 2017). Non-equilibrium effects in chemical reactions are caused by the chemical reactions themselves and therefore these contributions should be taken into account in the corresponding expressions for reaction rates. Corrections to quasi-equilibrium reaction rates are of two types: (a) spatially homogeneous (caused by physical-chemical processes) and (b) spatially inhomogeneous (caused by gas expansion/compression processes and proportional to the velocity divergency). Both of these processes play an important role during the nucleation and are included into the proposed model. The method developed for solving the generalized Boltzmann equation for chemically reactive gases is applied for solving the set of equations of the revised quasi-chemical model. It is shown that non-equilibrium processes lead to essential deviation of the quasi-stationary distribution and therefore the nucleation rate from its traditional form.

  10. Effect of wetting on nucleation and growth of D2 in confinement

    Science.gov (United States)

    Zepeda-Ruiz, L. A.; Sadigh, B.; Shin, S. J.; Kozioziemski, B. J.; Chernov, A. A.

    2018-04-01

    We have performed a computational study to determine how the wetting of liquid deuterium to the walls of the material influences nucleation. We present the development of a pair-wise interatomic potential that includes zero-point motion of molecular deuterium. Deuterium is used in this study because of its importance to inertial confinement fusion and the potential to generate a superfluid state if the solidification can be suppressed. Our simulations show that wetting dominates undercooling compared to the pore geometries. We observe a transition from heterogeneous nucleation at the confining wall to homogeneous nucleation at the bulk of the liquid (and intermediate cases) as the interaction with the confining wall changes from perfect wetting to non-wetting. When nucleation is heterogeneous, the temperature needed for solidification changes by 4 K with decreasing deuterium-wall interaction, but it remains independent (and equal to the one from bulk samples) when homogeneous nucleation dominates. We find that growth and quality of the resulting microstructure also depends on the magnitude of liquid deuterium-wall interaction strength.

  11. Instantaneous power theory and applications to power conditioning

    CERN Document Server

    Akagi, Hirofumi; Aredes, Mauricio

    2017-01-01

    This new edition, written by a team of experts in the field, is fully updated with information on the latest electric power technology. The instantaneous power theory, or “the p-q theory,” makes clear the physical meaning of what instantaneous real and imaginary power is in a three-phase circuit. Moreover, it provides insight into how energy flows from a source to a load, or circulates between phases, in a three-phase circuit. This theory can be used in the design and understanding of FACTS (Flexible AC Transmission System) compensators. The book introduces many concepts in the field of active filtering that are unique to this edition. It provides a study tool for final year undergraduate students, graduate students and engineers dealing ith harmonic pollution problems, reactive power compensation or power quality in general.

  12. Elasticity analysis by MR elastography using the instantaneous frequency method

    International Nuclear Information System (INIS)

    Oshiro, Osamu; Suga, Mikio; Minato, Kotaro; Okamoto, Jun; Takizawa, Osamu; Matsuda, Tetsuya; Komori, Masaru; Takahashi, Takashi

    2000-01-01

    This paper describes a calculation method for estimating the elasticity of human organs using magnetic resonance elastography (MRE) images. The method is based on the instantaneous frequency method, which is very sensitive to noise. Therefore, the proposed method also incorporates a noise-reduction function. In the instantaneous frequency method, Fourier transform is applied to the measurement signal. Then, inverse Fourier transform is performed after the negative frequency component is set to zero. In the proposed method, noise is reduced by processing in which the positive higher frequency component is also set to zero before inverse Fourier transform is performed. First, we conducted a simulation study and confirmed the applicability of this method and the noise reduction function. Next, we carried out a phantom experiment and demonstrated that elasticity images could be generated, with the gray level corresponding to the local frequency in MRE images. (author)

  13. Efficiency of application of instantaneous radiation of seeds by plasma

    International Nuclear Information System (INIS)

    Tsyganov, A.R.; Gordeev, Yu.A.; Poddubnaya, O.V.

    2009-01-01

    The efficiency of application of instantaneous (impulse) radiation of seeds of spring wheat (Triticum aestivum) and oat (Avena sativa) by plasma was analyzed. Research results showed that presowing treatment of seeds with instantaneous helium radiation in course of 0,01 seconds (the total duration of seed treatment with plasmatron ion source impulses – one second). In course of the practical experiments there was proved possibility of application impulse radiation technologies in modern agricultural production. Seed germination capacity exceeded the control variants on 14%. Results of influence of applied irradiation on length of sprouts, length of roots and their germinating ability were presented. Irradiation efficiency developed in course of plant vegetation. In accordance with research results and accumulated experimental material on presowing seed treatment with impulses of low temperature helium plasma could make it possible to obtain yields with higher capacity and quality with the minimal expenses for seed treatment

  14. Exhaust pressure pulsation observation from turbocharger instantaneous speed measurement

    Science.gov (United States)

    Macián, V.; Luján, J. M.; Bermúdez, V.; Guardiola, C.

    2004-06-01

    In internal combustion engines, instantaneous exhaust pressure measurements are difficult to perform in a production environment. The high temperature of the exhaust manifold and its pulsating character make its application to exhaust gas recirculation control algorithms impossible. In this paper an alternative method for estimating the exhaust pressure pulsation is presented. A numerical model is built which enables the exhaust pressure pulses to be predicted from instantaneous turbocharger speed measurements. Although the model is data based, a theoretical description of the process is also provided. This combined approach makes it possible to export the model for different engine operating points. Also, compressor contribution in the turbocharger speed pulsation is discussed extensively. The compressor contribution is initially neglected, and effects of this simplified approach are analysed.

  15. Application of MySQL in instantaneous profile gauge system

    International Nuclear Information System (INIS)

    Guo Xiaojing; Miao Jichen; Wu Zhifang

    2011-01-01

    As equipment in the hot rolling plate plant for online measurement of strip steel, the instantaneous profile gauge is used to measure instant crown of hot rolling strips and feed back the crown to the rolling mill to adjust strip profile. During the measurement, a large amount of data need to be stored reasonably for query, display, computation and other processing, while a database management software can make it happen. Based on such features of MySQL as small size, fast speed, low cost and open source codes, a database function was implemented in the instantaneous profile gauge for data storage, query and maintenance, by applying MySQL database management system and integrating with the control interface. (authors)

  16. 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.

  17. Automatic first-break picking using the instantaneous traveltime attribute

    KAUST Repository

    Saragiotis, Christos

    2012-01-01

    Picking the first breaks is an important step in seismic processing. The large volume of the seismic data calls for automatic and objective picking. We introduce a new automatic first-break picker, which uses specifically designed time windows and an iterative procedure based on the instantaneous traveltime attribute. The method is fast as it only uses a few FFT\\'s per trace. We demonstrate the effectiveness of this automatic method by applying it on real test data.

  18. Installation and commissioning of instantaneous dose rate monitoring system

    CERN Document Server

    Iaydjiev, Plamen

    2018-01-01

    INRNE-Sofia was working on the installation and commissioning of new instantaneous dose rate monitoring system for the GIF++ facility at CERN. The final device, containing an 8-channels readout board was designed and tested at the CERN facility during November 2017, in an irradiation campaign supported by the AIDA-2020 TA program. The system is designed to be fully integrated in the GIF++ control system and the data measured are available to the users.

  19. Three-dimensional instantaneous velocity field measurement using ...

    Indian Academy of Sciences (India)

    2014-02-13

    Feb 13, 2014 ... Abstract. In the present study, a digital holography microscope has been developed to study instantaneous 3D velocity field in a square channel of 1000 × 1000 μm2 cross-section. The flow field is seeded with polystyrene microspheres of size dp = 2.1 μm. The volumetric flow rate is set equal to 20 μl/min.

  20. Smooth and fast versus instantaneous quenches in quantum field theory

    Science.gov (United States)

    Das, Sumit R.; Galante, Damián A.; Myers, Robert C.

    2015-08-01

    We examine in detail the relationship between smooth fast quantum quenches, characterized by a time scale δ t, and instantaneous quenches, within the framework of exactly solvable mass quenches in free scalar field theory. Our earlier studies [1, 2] highlighted that the two protocols remain distinct in the limit δ t → 0 because of the relation of the quench rate to the UV cut-off, i.e., 1 /δ t ≪ Λ always holds in the fast smooth quenches while 1 /δ t ˜ Λ for instantaneous quenches. Here we study UV finite quantities like correlators at finite spatial distances and the excess energy produced above the final ground state energy. We show that at late times and large distances (compared to the quench time scale) the smooth quench correlator approaches that for the instantaneous quench. At early times, we find that for small spatial separation and small δ t, the correlator scales universally with δ t, exactly as in the scaling of renormalized one point functions found in earlier work. At larger separation, the dependence on δ t drops out. The excess energy density is finite (for finite mδ t) and scales in a universal fashion for all d. However, the scaling behaviour produces a divergent result in the limit mδ t → 0 for d ≥ 4, just as in an instantaneous quench, where it is UV divergent for d ≥ 4. We argue that similar results hold for arbitrary interacting theories: the excess energy density produced is expected to diverge for scaling dimensions Δ > d/2.

  1. Smooth and fast versus instantaneous quenches in quantum field theory

    International Nuclear Information System (INIS)

    Das, Sumit R.; Galante, Damián A.; Myers, Robert C.

    2015-01-01

    We examine in detail the relationship between smooth fast quantum quenches, characterized by a time scale δt, and instantaneous quenches, within the framework of exactly solvable mass quenches in free scalar field theory. Our earlier studies http://dx.doi.org/10.1103/PhysRevLett.112.171601 and http://dx.doi.org/10.1007/JHEP02(2015)167 highlighted that the two protocols remain distinct in the limit δt→0 because of the relation of the quench rate to the UV cut-off, i.e., 1/δt≪Λ always holds in the fast smooth quenches while 1/δt∼Λ for instantaneous quenches. Here we study UV finite quantities like correlators at finite spatial distances and the excess energy produced above the final ground state energy. We show that at late times and large distances (compared to the quench time scale) the smooth quench correlator approaches that for the instantaneous quench. At early times, we find that for small spatial separation and small δt, the correlator scales universally with δt, exactly as in the scaling of renormalized one point functions found in earlier work. At larger separation, the dependence on δt drops out. The excess energy density is finite (for finite mδt) and scales in a universal fashion for all d. However, the scaling behaviour produces a divergent result in the limit mδt→0 for d≥4, just as in an instantaneous quench, where it is UV divergent for d≥4. We argue that similar results hold for arbitrary interacting theories: the excess energy density produced is expected to diverge for scaling dimensions Δ>d/2.

  2. 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

  3. 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.

  4. Using the thermal diffusion cloud chamber to study the ion-induced nucleation by radon decay

    International Nuclear Information System (INIS)

    Wu, Yefei.

    1991-01-01

    Thermal diffusion cloud chamber is steady-state device and has been extensively used for nucleation research. In order to study the ion-induced nucleation by radon decay, a new chamber was designed with improved both upper and bottom plates, the system of circulating fluid, the gasketting, the temperature measurement and the insulation. An alternative method of using oxygen as carrier gas was examined. Therefore, the heavy carrier gas including nitrogen, oxygen, neon, argon and air can be used to study radon radiolysis-induced nucleation for the water or organic compounds in the TDCC. The effects of the pressure and temperature ranges on the density, supersaturation, temperature and partial pressure profile for the water-oxygen-helium in the TDCC have been examined. Based on the classical theory, the rate profile of ion-induced nucleation by radon decays was calculated and compared with the homogeneous nucleation. From measured indoor concentrations of Volatile Organic Compounds (VOC), thermodynamic theory models were used to assess the possibility that these compounds will form ultrafine particles in indoor air by ion-induced nucleation. The energy, number of molecules and equilibrium radius of clusters have been calculated based on Such and Thomson theories. These two sets of values have been compared. Ion cluster radii corresponding to 1--3 VOC molecules are in range of 3--5 x 10 -8 cm. 43 refs., 18 figs., 5 tabs

  5. Investigating heterogeneous nucleation in peritectic materials via the phase-field method

    International Nuclear Information System (INIS)

    Emmerich, Heike; Siquieri, Ricardo

    2006-01-01

    Here we propose a phase-field approach to investigate the influence of convection on peritectic growth as well as the heterogeneous nucleation kinetics of peritectic systems. For this purpose we derive a phase-field model for peritectic growth taking into account fluid flow in the melt, which is convergent to the underlying sharp interface problem in the thin interface limit (Karma and Rappel 1996 Phys. Rev. E 53 R3017). Moreover, we employ our new phase-field model to study the heterogeneous nucleation kinetics of peritectic material systems. Our approach is based on a similar approach towards homogeneous nucleation in Granasy et al (2003 Interface and Transport Dynamics (Springer Lecture Notes in Computational Science and Engineering vol 32) ed Emmerich et al (Berlin: Springer) p 190). We applied our model successfully to extend the nucleation rate predicted by classical nucleation theory for an additional morphological term relevant for peritectic growth. Further applications to understand the mechanisms and consequences of heterogeneous nucleation kinetics in more detail are discussed

  6. Nucleation and microstructure development in Cr-Mo-V tool steel during gas atomization

    Science.gov (United States)

    Behúlová, M.; Grgač, P.; Čička, R.

    2017-11-01

    Nucleation studies of undercooled metallic melts are of essential interest for the understanding of phase selection, growth kinetics and microstructure development during their rapid non-equilibrium solidification. The paper deals with the modelling of nucleation processes and microstructure development in the hypoeutectic tool steel Ch12MF4 with the chemical composition of 2.37% C, 12.06 % Cr, 1.2% Mo, 4.0% V and balance Fe [wt. %] in the process of nitrogen gas atomization. Based on the classical theory of homogeneous nucleation, the nucleation temperature of molten rapidly cooled spherical particles from this alloy with diameter from 40 μm to 600 μm in the gas atomization process is calculated using various estimations of parameters influencing the nucleation process - the Gibbs free energy difference between solid and liquid phases and the solid/liquid interfacial energy. Results of numerical calculations are compared with experimentally measured nucleation temperatures during levitation experiments and microstructures developed in rapidly solidified powder particles from the investigated alloy.

  7. Modelling heterogeneous ice nucleation on mineral dust and soot with parameterizations based on laboratory experiments

    Science.gov (United States)

    Hoose, C.; Hande, L. B.; Mohler, O.; Niemand, M.; Paukert, M.; Reichardt, I.; Ullrich, R.

    2016-12-01

    Between 0 and -37°C, ice formation in clouds is triggered by aerosol particles acting as heterogeneous ice nuclei. At lower temperatures, heterogeneous ice nucleation on aerosols can occur at lower supersaturations than homogeneous freezing of solutes. In laboratory experiments, the ability of different aerosol species (e.g. desert dusts, soot, biological particles) has been studied in detail and quantified via various theoretical or empirical parameterization approaches. For experiments in the AIDA cloud chamber, we have quantified the ice nucleation efficiency via a temperature- and supersaturation dependent ice nucleation active site density. Here we present a new empirical parameterization scheme for immersion and deposition ice nucleation on desert dust and soot based on these experimental data. The application of this parameterization to the simulation of cirrus clouds, deep convective clouds and orographic clouds will be shown, including the extension of the scheme to the treatment of freezing of rain drops. The results are compared to other heterogeneous ice nucleation schemes. Furthermore, an aerosol-dependent parameterization of contact ice nucleation is presented.

  8. A novel optical freezing array for the examination of cooling rate dependence in heterogeneous ice nucleation

    Science.gov (United States)

    Budke, Carsten; Dreischmeier, Katharina; Koop, Thomas

    2014-05-01

    Homogeneous ice nucleation is a stochastic process, implying that it is not only temperature but also time dependent. For heterogeneous ice nucleation it is still under debate whether there is a significant time dependence or not. In case of minor time dependence it is probably sufficient to use a singular or slightly modified singular approach, which mainly supposes temperature dependence and just small stochastic variations. We contribute to this discussion using a novel optical freezing array termed BINARY (Bielefeld Ice Nucleation ARraY). The setup consists of an array of microliter-sized droplets on a Peltier cooling stage. The droplets are separated from each other with a polydimethylsiloxane (PDMS) spacer to prevent a Bergeron-Findeisen process, in which the first freezing droplets grow at the expense of the remaining liquid ones due to their vapor pressure differences. An automatic detection of nucleation events is realized optically by the change in brightness during freezing. Different types of ice nucleating agents were tested with the presented setup, e. g. pollen and clay mineral dust. Exemplarily, cooling rate dependent measurements are shown for the heterogeneous ice nucleation induced by Snomax®. The authors gratefully acknowledge funding by the German Research Foundation (DFG) through the project BIOCLOUDS (KO 2944/1-1) and through the research unit INUIT (FOR 1525) under KO 2944/2-1. We particularly thank our INUIT partners for fruitful collaboration and sharing of ideas and IN samples.

  9. 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

  10. Homogeneous group, research, institution

    Directory of Open Access Journals (Sweden)

    Francesca Natascia Vasta

    2014-09-01

    Full Text Available The work outlines the complex connection among empiric research, therapeutic programs and host institution. It is considered the current research state in Italy. Italian research field is analyzed and critic data are outlined: lack of results regarding both the therapeutic processes and the effectiveness of eating disorders group analytic treatment. The work investigates on an eating disorders homogeneous group, led into an eating disorder outpatient service. First we present the methodological steps the research is based on including the strong connection among theory and clinical tools. Secondly clinical tools are described and the results commented. Finally, our results suggest the necessity of validating some more specifical hypothesis: verifying the relationship between clinical improvement (sense of exclusion and painful emotions reduction and specific group therapeutic processes; verifying the relationship between depressive feelings, relapses and transition trough a more differentiated groupal field.Keywords: Homogeneous group; Eating disorders; Institutional field; Therapeutic outcome

  11. Homogeneous turbulence dynamics

    CERN Document Server

    Sagaut, Pierre

    2018-01-01

    This book provides state-of-the-art results and theories in homogeneous turbulence, including anisotropy and compressibility effects with extension to quantum turbulence, magneto-hydodynamic turbulence  and turbulence in non-newtonian fluids. Each chapter is devoted to a given type of interaction (strain, rotation, shear, etc.), and presents and compares experimental data, numerical results, analysis of the Reynolds stress budget equations and advanced multipoint spectral theories. The role of both linear and non-linear mechanisms is emphasized. The link between the statistical properties and the dynamics of coherent structures is also addressed. Despite its restriction to homogeneous turbulence, the book is of interest to all people working in turbulence, since the basic physical mechanisms which are present in all turbulent flows are explained. The reader will find a unified presentation of the results and a clear presentation of existing controversies. Special attention is given to bridge the results obta...

  12. Homogen Mur - et udviklingsprojekt

    DEFF Research Database (Denmark)

    Dahl, Torben; Beim, Anne; Sørensen, Peter

    1997-01-01

    Mølletorvet i Slagelse er det første byggeri i Danmark, hvor ydervæggen er udført af homogene bærende og isolerende teglblokke. Byggeriet viser en række af de muligheder, der både med hensyn til konstruktioner, energiforhold og arkitektur ligger i anvendelsen af homogent blokmurværk.......Mølletorvet i Slagelse er det første byggeri i Danmark, hvor ydervæggen er udført af homogene bærende og isolerende teglblokke. Byggeriet viser en række af de muligheder, der både med hensyn til konstruktioner, energiforhold og arkitektur ligger i anvendelsen af homogent blokmurværk....

  13. 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.

  14. 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...

  15. Electrocrystallisation of zinc from acidic sulphate baths; A nucleation and crystal growth process

    International Nuclear Information System (INIS)

    Vasilakopoulos, D.; Bouroushian, M.; Spyrellis, N.

    2009-01-01

    The electrochemical nucleation and growth of zinc on low-carbon steel from acidic (pH 2.0-4.5) baths containing ZnSO 4 , NaCl, and H 3 BO 3 , was studied by means of chronoamperometry at various cathodic potentials under a charge-transfer controlled regime. It is shown that at overpotentials in the range 0.30-0.55 V (negative to the Zn 2+ /Zn redox value) the electrodeposition proceeds by instantaneous three-dimensional nucleation, which turns to progressive at higher overpotentials and/or very acidic baths. At low cathodic overpotentials (<0.30 V), a two-dimensional contribution limited by the incorporation of Zn ad-atoms in the developing lattice becomes significant at the early stages of deposition, and is more progressive in type the more acidic is the bath pH. Nucleation rate constants were calculated and correlated analytically with the respective potentials, using the classical theory of heterogeneous nucleation, which though fails to lead to reasonable values for the critical nucleus size

  16. Homogenization of resonant chiral metamaterials

    DEFF Research Database (Denmark)

    Andryieuski, Andrei; Menzel, C.; Rockstuhl, Carsten

    2010-01-01

    Homogenization of metamaterials is a crucial issue as it allows to describe their optical response in terms of effective wave parameters as, e.g., propagation constants. In this paper we consider the possible homogenization of chiral metamaterials. We show that for meta-atoms of a certain size...... an analytical criterion for performing the homogenization and a tool to predict the homogenization limit. We show that strong coupling between meta-atoms of chiral metamaterials may prevent their homogenization at all....

  17. Homogeneous M2 duals

    International Nuclear Information System (INIS)

    Figueroa-O’Farrill, José; Ungureanu, Mara

    2016-01-01

    Motivated by the search for new gravity duals to M2 branes with N>4 supersymmetry — equivalently, M-theory backgrounds with Killing superalgebra osp(N|4) for N>4 — we classify (except for a small gap) homogeneous M-theory backgrounds with symmetry Lie algebra so(n)⊕so(3,2) for n=5,6,7. We find that there are no new backgrounds with n=6,7 but we do find a number of new (to us) backgrounds with n=5. All backgrounds are metrically products of the form AdS 4 ×P 7 , with P riemannian and homogeneous under the action of SO(5), or S 4 ×Q 7 with Q lorentzian and homogeneous under the action of SO(3,2). At least one of the new backgrounds is supersymmetric (albeit with only N=2) and we show that it can be constructed from a supersymmetric Freund-Rubin background via a Wick rotation. Two of the new backgrounds have only been approximated numerically.

  18. Homogeneous M2 duals

    Energy Technology Data Exchange (ETDEWEB)

    Figueroa-O’Farrill, José [School of Mathematics and Maxwell Institute for Mathematical Sciences,The University of Edinburgh,James Clerk Maxwell Building, The King’s Buildings, Peter Guthrie Tait Road,Edinburgh EH9 3FD, Scotland (United Kingdom); Ungureanu, Mara [Humboldt-Universität zu Berlin, Institut für Mathematik,Unter den Linden 6, 10099 Berlin (Germany)

    2016-01-25

    Motivated by the search for new gravity duals to M2 branes with N>4 supersymmetry — equivalently, M-theory backgrounds with Killing superalgebra osp(N|4) for N>4 — we classify (except for a small gap) homogeneous M-theory backgrounds with symmetry Lie algebra so(n)⊕so(3,2) for n=5,6,7. We find that there are no new backgrounds with n=6,7 but we do find a number of new (to us) backgrounds with n=5. All backgrounds are metrically products of the form AdS{sub 4}×P{sup 7}, with P riemannian and homogeneous under the action of SO(5), or S{sup 4}×Q{sup 7} with Q lorentzian and homogeneous under the action of SO(3,2). At least one of the new backgrounds is supersymmetric (albeit with only N=2) and we show that it can be constructed from a supersymmetric Freund-Rubin background via a Wick rotation. Two of the new backgrounds have only been approximated numerically.

  19. 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.

  20. 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...

  1. 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.

  2. Kinetics of heterogeneous nucleation on intrinsic nucleants in pure fcc transition metals

    International Nuclear Information System (INIS)

    Wilde, G; Bokeloh, J; Santhaweesuk, C; Perepezko, J H; Sebright, J L

    2009-01-01

    Nucleation during solidification is heterogeneous in nature in an overwhelmingly large fraction of all solidification events. Yet, most often the identity of the heterogeneous nucleants that initiate nucleation remains a matter of speculation. In fact, a series of dedicated experiments needs to be designed in order to verify if nucleation of the material under study is based on one type of heterogeneous nucleant and if the potency of that nucleant is constant, e.g. for a population of individual droplets, or stays constant over time, e.g. throughout repeated melting/solidification cycles. In this work it is demonstrated that one way to circumvent ambiguities and analyze nucleation kinetics under well-defined conditions experimentally is given by performing statistically significant numbers of repeated single-droplet experiments. The application of proper statistics analyses based upon a non-homogeneous Poisson process is shown to yield nucleation rates that are independent of a specific nucleation model. Based upon this approach nucleation undercooling measurements on pure Au, Cu and Ni as model materials have confirmed that the experimental strategy and analysis method are valid. The results are comparable to those obtained by classical nucleation theory applied to experimental data that has been verified to comply with the assertions that are necessary for applying this model framework. However, the results reveal also other complex nucleant-sample interactions such as an initial transient undercooling behavior and impurity removal during repeated cycling treatments. The transient undercooling behavior has been analyzed by a nucleant refining model to provide new insight on the operation of melt fluxing treatments.

  3. 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

  4. Parameterizing the competition between homogeneous and heterogeneous freezing in ice cloud formation – polydisperse ice nuclei

    Directory of Open Access Journals (Sweden)

    D. Barahona

    2009-08-01

    Full Text Available This study presents a comprehensive ice cloud formation parameterization that computes the ice crystal number, size distribution, and maximum supersaturation from precursor aerosol and ice nuclei. The parameterization provides an analytical solution of the cloud parcel model equations and accounts for the competition effects between homogeneous and heterogeneous freezing, and, between heterogeneous freezing in different modes. The diversity of heterogeneous nuclei is described through a nucleation spectrum function which is allowed to follow any form (i.e., derived from classical nucleation theory or from observations. The parameterization reproduces the predictions of a detailed numerical parcel model over a wide range of conditions, and several expressions for the nucleation spectrum. The average error in ice crystal number concentration was −2.0±8.5% for conditions of pure heterogeneous freezing, and, 4.7±21% when both homogeneous and heterogeneous freezing were active. The formulation presented is fast and free from requirements of numerical integration.

  5. 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

  6. Electrochemical analyses of diffusion behaviors and nucleation mechanisms for neodymium complexes in [DEME][TFSA] ionic liquid

    International Nuclear Information System (INIS)

    MATSUMIYA, Masahiko; ISHII, Mai; KAZAMA, Ryo; KAWAKAMI, Satoshi

    2014-01-01

    Highlights: • The cathodic reaction; Nd(III) + 3e − → Nd(0) was observed at −3.30 V in [DEME][TFSA]. • The diffusion coefficient of Nd(III) in [DEME][TFSA] was evaluated from semi-integral analysis. • The nucleation mechanism of Nd nuclei was altered from instantaneous to progressive nucleation. • The number density of Nd nuclei was increased as the overpotential was increased. • The electrodeposits from [DEME][TFSA] were identified Nd metal and oxide mixtures by XPS. - ABSTRACT: The electrochemical and nucleation behavior of Nd(III) in the ammonium-based ionic liquid (IL), N,N-diethyl-N-methyl-N-(2-methoxyethyl) ammonium bis(trifluoromethyl-sulfonyl) amide, [DEME] [TFSA], were investigated in this study. The cathodic reaction of Nd(III) [Nd(III) + 3e − → Nd(0)] was observed at −3.30 V vs. Ag/Ag(I) using cyclic voltammetry at 353 K. The diffusion coefficient of Nd(III) was estimated to be 1.35 ± 0.10 × 10 −13 m 2 s −1 at 353 K using semi-integral and semi-differential analyses. The initial process of Nd electrodeposition was also evaluated by chronoamperometry, indicating that the initial nucleation and growth of Nd on the Pt electrode occurred via instantaneous nucleation at −3.40 V. As the applied potential became more negative, the mechanism changed from instantaneous to progressive nucleation. The number density of Nd nuclei in the initial stage of nucleation decreased as the overpotential increased. Furthermore, the electrodeposition of Nd was carried out under the conditions of −3.40 V and −3.60 V at 353 K. SEM observations of the electrodeposits were consistent with the series of results obtained by chronoamperometry. The electrodeposits consisted mainly of Nd metal and oxide mixtures, whereas bonding with the light elements (C, F, and S) of the IL was suppressed, as demonstrated by EDX and XPS. The results suggested that sufficient dehydration and control of the water content of the electrolyte are important factors

  7. HOMOGENEOUS NUCLEAR POWER REACTOR

    Science.gov (United States)

    King, L.D.P.

    1959-09-01

    A homogeneous nuclear power reactor utilizing forced circulation of the liquid fuel is described. The reactor does not require fuel handling outside of the reactor vessel during any normal operation including complete shutdown to room temperature, the reactor being selfregulating under extreme operating conditions and controlled by the thermal expansion of the liquid fuel. The liquid fuel utilized is a uranium, phosphoric acid, and water solution which requires no gus exhaust system or independent gas recombining system, thereby eliminating the handling of radioiytic gas.

  8. Homogeneous Finsler Spaces

    CERN Document Server

    Deng, Shaoqiang

    2012-01-01

    "Homogeneous Finsler Spaces" is the first book to emphasize the relationship between Lie groups and Finsler geometry, and the first to show the validity in using Lie theory for the study of Finsler geometry problems. This book contains a series of new results obtained by the author and collaborators during the last decade. The topic of Finsler geometry has developed rapidly in recent years. One of the main reasons for its surge in development is its use in many scientific fields, such as general relativity, mathematical biology, and phycology (study of algae). This monograph introduc

  9. Homogeneity spoil spectroscopy

    International Nuclear Information System (INIS)

    Hennig, J.; Boesch, C.; Martin, E.; Grutter, R.

    1987-01-01

    One of the problems of in vivo MR spectroscopy of P-31 is spectra localization. Surface coil spectroscopy, which is the method of choice for clinical applications, suffers from the high-intensity signal from subcutaneous muscle tissue, which masks the spectrum of interest from deeper structures. In order to suppress this signal while maintaining the simplicity of surface coil spectroscopy, the authors introduced a small sheet of ferromagnetically dotted plastic between the surface coil and the body. This sheet destroys locally the field homogeneity and therefore all signal from structures around the coil. The very high reproducibility of the simple experimental procedure allows long-term studies important for monitoring tumor therapy

  10. Effects of homogeneous condensation in compressible flows: Ludwieg-tube experiments and simulations

    NARCIS (Netherlands)

    Luo, X.; Lamanna, G.; Holten, A.P.C.; Dongen, van M.E.H.

    2007-01-01

    Effects of homogeneous nucleation and subsequent droplet growth in compressible flows in humid nitrogen are investigated numerically and exptl. A Ludwieg tube is employed to produce expansion flows. Corresponding to different configurations, three types of expt. are carried out in such a tube.

  11. Development of a portable instantaneous soil radon measurement instrument

    International Nuclear Information System (INIS)

    Wang Yushuang; Ge Liangquan; Jiang Haijing; Lin Yanchang

    2007-01-01

    A dual-channel instantaneous soil radon measurement instrument based on the method of electrostatic collection is designed. It has the features of small size, low cost, and high sensitivity, etc. A single chip microcomputer is adopted as the data processing and control unit. The concentration of radon can be reported in field. The result is also corrected by the pressure sensing system. A double channel discriminator is used so that the detector can eliminate the interference from the progenies of radon except RaA. LCD and MCU based encoding keyboard are used to give users a friendly interface. Operating and function setting is easy. (authors)

  12. Behavior of pollutants from the instantaneous sources in mine airways

    Energy Technology Data Exchange (ETDEWEB)

    Abuel-Kassem, M. [Assiut Univ. (Egypt)

    1993-12-31

    The air quality management of roadway tunnels is an important task; that is the roadway tunnels either natural or mechanical ventilation is required to keep air quality within the acceptable levels for pollutants. The main objective of this paper is to study the behavior of pollutants from the blasting operation during tunneling as an instantaneous source in mines based on the diffusion modeling. Diffusion models are modified and applied to estimate the concentration of pollutants using a computer program. (Author). 9 refs., 3 figs., 2 tabs.

  13. Method of instantaneous approximation of the atmospheric dispersion

    International Nuclear Information System (INIS)

    Doury, A.

    1983-12-01

    A basic primary modelling, very simple and compatible with all the existing models. The problem, the simplifying hypothesis being given, amounts to calculating a concentration chi determined by a fixed quantity Q released instantaneously in a quasi nil volume and uniformly distributed after the time t after the emission in a rectangular parallelepipedic volume. An atmospheric dilution coefficient and an atmospheric transfer coefficient are defined. From these elements, such defined, it is possible to establish of ''short term'' and ''long term'' transfer coefficients and also transfer coefficients ''in the atmosphere'' and to the ''ground''. They are presented in a tabular form [fr

  14. 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

  15. 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

  16. 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...

  17. 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

  18. Homogenization of a storage and/or disposal site in an underground damage or fractured medium

    International Nuclear Information System (INIS)

    Khvoenkova, N.

    2007-07-01

    The aim of this work was to model the flow and the transport of a radionuclide in a fractured rock. In order to be able to simulate numerically these phenomena in an industrial context, it has been chosen to apply the homogenization method. The theoretical study has consisted in 1)determining a microscopic model in the fractured medium 2)homogenizing the microscopic model. In this study, two media have been studied: a granitic medium and a calcareous medium. With the obtained experimental data, six possible microscopic models have been deduced for each type of medium and in terms of the choice of the fracturing (thin or thick) and of the relation between the porosities and the delay coefficients. With the homogenization, three types of exchange of pollutant between the fractures and the porous blocks have been revealed: 1)the instantaneous exchange for which the presence of the porous blocks has no influence on the global behaviour of the system 2)the instantaneous exchange for which the porous blocks absorb a non-negligible quantity of pollutant. This influence is only determined by the fractures system 3)the non-instantaneous exchange. These homogenized models have been numerically studied (resolution with the Cast3M code). The simulation of the homogenized models has given results similar to those of the direct models. Moreover, the study of the homogenized diffusion tensor has shown that the homogenized model takes into account the dispersion produced by the fractures system. By all these results, it can be concluded that the risk estimation of the contamination of the fractured rock is possible for long times by the use of homogenized models. (O.M.)

  19. 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.

  20. 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.)

  1. On the formation of an instantaneous orbit in a synchrotron

    International Nuclear Information System (INIS)

    Bashmakov, Yu.A.; Karpov, V.A.

    1985-01-01

    In the process of injection into a synchrotron amplitudes of particle betatron oscillations can be comparable with the dimensions of the synchrotron working region, which means that special attention should be paid to the formation of the optimum instantaneous orbit. Basides, a necessity to calculate the orbit frequently arises at the end of the acceleration cycle, when particle dump onto internal targets or their extraction from the synchrotron take place. In the paper the method for calculation of particle trajectories in the synchrotron is described. According to the method the program of numerical calculation of both separate particle trajectories and closed instantaneous orbit was developed. The method suggested is based on the presentation of the accelerator magnetic structure as a sequential set of discrete elements. All the elements can be divided into the following main groups: free rectilinear gaps, rectilinear gaps with stray magnetic field, magnetic sectors, rectilinear gaps with accelerating electric field. The calculations made according to the method described have shown its high efficiency. The program developed is used for the simulation of the injection into the ''Pakhra'' synchrotron

  2. The instantaneous light-intensity function of a fluorescent lamp

    Energy Technology Data Exchange (ETDEWEB)

    Gluskin, Emanuel [Holon Institute of Technology, 52 Golomb St., Holon 58102 (Israel): Electrical Engineering Department, Ben-Gurion University, Beer-Sheva 84105 (Israel)]. E-mail: gluskin@ee.bgu.ac.il; Topalis, Frangiskos V. [Technical University of Athens, School of Electrical and Computer Engineering, 9 Iroon Politechniou St., 15780 Athens (Greece); Kateri, Ifigenia [Technical University of Athens, School of Electrical and Computer Engineering, 9 Iroon Politechniou St., 15780 Athens (Greece); Bisketzis, Nikolas [Technical University of Athens, School of Electrical and Computer Engineering, 9 Iroon Politechniou St., 15780 Athens (Greece)

    2006-05-08

    Using some simple physics and 'system' considerations, the instantaneous light intensity function {psi}(t) of a fluorescent lamp fed via a regular ballast from the 50-60 Hz line is argued to be {psi}(t)={psi}{sub min}+bp(t), where p(t) is the instantaneous power function of the lamp, and b is a constant, and experiment confirms this formula well. The main frequency of {psi}(t), the very significant singularity of its waveform, and the relative intensity of the ripple, i.e., the depth of the modulation, are the focus. The results are important for research into the vision problem that some humans (autistic, but others, too) experience regarding fluorescent light. The inertia of the processes in the lamp which are responsible for the light emission, provides some nonzero emission at the instants when p(t) has zeros. The smaller the volume of the tube and the mass of the gas are, the more weakly the inertia of the processes is expressed, and the relatively smaller is {psi}{sub min}. However, it should be very difficult to theoretically obtain {psi}(t), in particular {psi}{sub min}, from the very complicated physics of the low-pressure discharge in the tube. We conclude that {psi}{sub min} has to be connected with the (also easily measured) lamp's inductance. The work should attract more attention of the physicists to the properties of the common fluorescent lamps. escent lamps.

  3. Instantaneous flywheel torque of IC engine grey-box identification

    Science.gov (United States)

    Milašinović, A.; Knežević, D.; Milovanović, Z.; Škundrić, J.

    2018-01-01

    In this paper a mathematical model developed for the identification of excitation torque acting on the IC engine flywheel is presented. The excitation torque gained through internal combustion of the fuel in the IC engine is transmitted from the flywheel to the transmission. The torque is not constant but variable and is a function of the crank angle. The verification of the mathematical model was done on a 4-cylinder 4-stroke diesel engine for which the in-cylinder pressure was measured in one cylinder and the instantaneous angular speed of the crankshaft at its free end. The research was conducted on a hydraulic engine brake. Inertial forces of all rotational parts, from flywheel to the turbine wheel of the engine brake, are acting on the flywheel due to the nonuniform motion of the flywheel. It is known from the theory of turbomachinery that the torque on the hydraulic brake is a quadratic function of angular speed. Due to that and the variable angular speed of the turbine wheel of the engine brake, the torque during one engine cycle is also variable. The motivation for this research was the idea (intention) to determine the instantaneous torque acting on the flywheel as a function of the crank angle with a mathematical model without any measuring and based on this to determine the quality of work of specific cylinders of the multi-cylinder engine. The crankshaft was considered elastic and also its torsional vibrations were taken into account.

  4. Viscous organic aerosol particles in the upper troposphere: diffusivity-controlled water uptake and ice nucleation?

    Directory of Open Access Journals (Sweden)

    D. M. Lienhard

    2015-12-01

    secondary organic aerosol (SOA material produced by oxidation of α-pinene and in a number of organic/inorganic model mixtures (3-methylbutane-1,2,3-tricarboxylic acid (3-MBTCA, levoglucosan, levoglucosan/NH4HSO4, raffinose are presented. These indicate that water diffusion coefficients are determined by several properties of the aerosol substance and cannot be inferred from the glass transition temperature or bouncing properties. Our results suggest that water diffusion in SOA particles is faster than often assumed and imposes no significant kinetic limitation on water uptake and release at temperatures above 220 K. The fast diffusion of water suggests that heterogeneous ice nucleation on a glassy core is very unlikely in these systems. At temperatures below 220 K, model simulations of SOA particles suggest that heterogeneous ice nucleation may occur in the immersion mode on glassy cores which remain embedded in a liquid shell when experiencing fast updraft velocities. The particles absorb significant quantities of water during these updrafts which plasticize their outer layers such that these layers equilibrate readily with the gas phase humidity before the homogeneous ice nucleation threshold is reached. Glass formation is thus unlikely to restrict homogeneous ice nucleation. Only under most extreme conditions near the very high tropical tropopause may the homogeneous ice nucleation rate coefficient be reduced as a consequence of slow condensed-phase water diffusion. Since the differences between the behavior limited or non limited by diffusion are small even at the very high tropical tropopause, condensed-phase water diffusivity is unlikely to have significant consequences on the direct climatic effects of SOA particles under tropospheric conditions.

  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. Soot Aerosol Particles as Cloud Condensation Nuclei: from Ice Nucleation Activity to Ice Crystal Morphology

    Science.gov (United States)

    Pirim, Claire; Ikhenazene, Raouf; Ortega, Isamel Kenneth; Carpentier, Yvain; Focsa, Cristian; Chazallon, Bertrand; Ouf, François-Xavier

    2016-04-01

    Emissions of solid-state particles (soot) from engine exhausts due to incomplete fuel combustion is considered to influence ice and liquid water cloud droplet activation [1]. The activity of these aerosols would originate from their ability to be important centers of ice-particle nucleation, as they would promote ice formation above water homogeneous freezing point. Soot particles are reported to be generally worse ice nuclei than mineral dust because they activate nucleation at higher ice-supersaturations for deposition nucleation and at lower temperatures for immersion freezing than ratios usually expected for homogeneous nucleation [2]. In fact, there are still numerous opened questions as to whether and how soot's physico-chemical properties (structure, morphology and chemical composition) can influence their nucleation ability. Therefore, systematic investigations of soot aerosol nucleation activity via one specific nucleation mode, here deposition nucleation, combined with thorough structural and compositional analyzes are needed in order to establish any association between the particles' activity and their physico-chemical properties. In addition, since the morphology of the ice crystals can influence their radiative properties [3], we investigated their morphology as they grow over both soot and pristine substrates at different temperatures and humidity ratios. In the present work, Combustion Aerosol STandart soot samples were produced from propane using various experimental conditions. Their nucleation activity was studied in deposition mode (from water vapor), and monitored using a temperature-controlled reactor in which the sample's relative humidity is precisely measured with a cryo-hygrometer. Formation of water/ice onto the particles is followed both optically and spectroscopically, using a microscope coupled to a Raman spectrometer. Vibrational signatures of hydroxyls (O-H) emerge when the particle becomes hydrated and are used to characterize ice

  7. Homogeneous instantons in bigravity

    International Nuclear Information System (INIS)

    Zhang, Ying-li; Sasaki, Misao; Yeom, Dong-han

    2015-01-01

    We study homogeneous gravitational instantons, conventionally called the Hawking-Moss (HM) instantons, in bigravity theory. The HM instantons describe the amplitude of quantum tunneling from a false vacuum to the true vacuum. Corrections to General Relativity (GR) are found in a closed form. Using the result, we discuss the following two issues: reduction to the de Rham-Gabadadze-Tolley (dRGT) massive gravity and the possibility of preference for a large e-folding number in the context of the Hartle-Hawking (HH) no-boundary proposal. In particular, concerning the dRGT limit, it is found that the tunneling through the so-called self-accelerating branch is exponentially suppressed relative to the normal branch, and the probability becomes zero in the dRGT limit. As far as HM instantons are concerned, this could imply that the reduction from bigravity to the dRGT massive gravity is ill-defined.

  8. Cloud condensation nuclei and ice nucleation activity of hydrophobic and hydrophilic soot particles.

    Science.gov (United States)

    Koehler, Kirsten A; DeMott, Paul J; Kreidenweis, Sonia M; Popovicheva, Olga B; Petters, Markus D; Carrico, Christian M; Kireeva, Elena D; Khokhlova, Tatiana D; Shonija, Natalia K

    2009-09-28

    Cloud condensation nuclei (CCN) activity and ice nucleation behavior (for temperaturesnucleation experiments below -40 degrees C, AEC particles nucleated ice near the expected condition for homogeneous freezing of water from aqueous solutions. In contrast, GTS, TS, and TC1 required relative humidity well in excess of water saturation at -40 degrees C for ice formation. GTS particles required water supersaturation conditions for ice activation even at -51 degrees C. At -51 to -57 degrees C, ice formation in particles with electrical mobility diameter of 200 nm occurred in up to 1 in 1000 TS and TC1 particles, and 1 in 100 TOS particles, at relative humidities below those required for homogeneous freezing in aqueous solutions. Our results suggest that heterogeneous ice nucleation is favored in cirrus conditions on oxidized hydrophilic soot of intermediate polarity. Simple considerations suggest that the impact of hydrophilic soot particles on cirrus cloud formation would be most likely in regions of elevated atmospheric soot number concentrations. The ice formation properties of AEC soot are reasonably consistent with present understanding of the conditions required for aircraft contrail formation and the proportion of soot expected to nucleate under such conditions.

  9. Crystal nucleation and dendrite growth of metastable phases in undercooled melts

    International Nuclear Information System (INIS)

    Herlach, Dieter

    2011-01-01

    Research highlights: → Homogenous nucleation. → Effects of convection on dendrite growth kinetics. → Description of disorder trapping validated by experiment. - Abstract: An undercooled melt possesses an enhanced free enthalpy that opens up the possibility to crystallize metastable crystalline solids in competition with their stable counterparts. Crystal nucleation selects the crystallographic phase whereas the growth dynamics controls microstructure evolution. We apply containerless processing techniques such as electromagnetic and electrostatic levitation to containerlesss undercool and solidify metallic melts. Owing to the complete avoidance of heterogeneous nucleation on container-walls a large undercooling range becomes accessible with the extra benefit that the freely suspended drop is direct accessible for in situ observation of crystallization far away from equilibrium. Results of investigations of maximum undercoolability on pure zirconium are presented showing the limit of maximum undercoolability set by the onset of homogeneous nucleation. Rapid dendrite growth is measured as a function of undercooling by a high-speed camera and analysed within extended theories of non-equilibrium solidification. In such both supersaturated solid solutions and disordered superlattice structure of intermetallics are formed at high growth velocities. A sharp interface theory of dendrite growth is capable to describe the non-equilibrium solidification phenomena during rapid crystallization of deeply undercooled melts. Eventually, anomalous growth behaviour of Al-rich Al-Ni alloys is presented, which may be caused by forced convection.

  10. 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.

  11. 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.

  12. Dynamic observations of vesiculation reveal the role of silicate crystals in bubble nucleation and growth in andesitic magmas

    Energy Technology Data Exchange (ETDEWEB)

    Pleše, P.; Higgins, M. D.; Mancini, L.; Lanzafame, G.; Brun, F.; Fife, J. L.; Casselman, J.; Baker, D. R.

    2018-01-01

    Bubble nucleation and growth control the explosivity of volcanic eruptions, and the kinetics of these processes are generally determined from examinations of natural samples and quenched experimental run products. These samples, however, only provide a view of the final state, from which the initial conditions of a time-evolving magmatic system are then inferred. The interpretations that follow are inexact due to the inability of determining the exact conditions of nucleation and the potential detachment of bubbles from their nucleation sites, an uncertainty that can obscure their nucleation location – either homogeneously within the melt or heterogeneously at the interface between crystals and melts. We present results of a series of dynamic, real-time 4D X-ray tomographic microscopy experiments where we observed the development of bubbles in crystal bearing silicate magmas. Experimentally synthesized andesitic glasses with 0.25–0.5 wt% H2O and seed silicate crystals were heated at 1 atm to induce bubble nucleation and track bubble growth and movement. In contrast to previous studies on natural and experimentally produced samples, we found that bubbles readily nucleated on plagioclase and clinopyroxene crystals, that their contact angle changes during growth and that they can grow to sizes many times that of the silicate on whose surface they originated. The rapid heterogeneous nucleation of bubbles at low degrees of supersaturation in the presence of silicate crystals demonstrates that silicates can affect when vesiculation ensues, influencing subsequent permeability development and effusive vs. explosive transition in volcanic eruptions.

  13. Dynamic observations of vesiculation reveal the role of silicate crystals in bubble nucleation and growth in andesitic magmas

    Science.gov (United States)

    Pleše, P.; Higgins, M. D.; Mancini, L.; Lanzafame, G.; Brun, F.; Fife, J. L.; Casselman, J.; Baker, D. R.

    2018-01-01

    Bubble nucleation and growth control the explosivity of volcanic eruptions, and the kinetics of these processes are generally determined from examinations of natural samples and quenched experimental run products. These samples, however, only provide a view of the final state, from which the initial conditions of a time-evolving magmatic system are then inferred. The interpretations that follow are inexact due to the inability of determining the exact conditions of nucleation and the potential detachment of bubbles from their nucleation sites, an uncertainty that can obscure their nucleation location - either homogeneously within the melt or heterogeneously at the interface between crystals and melts. We present results of a series of dynamic, real-time 4D X-ray tomographic microscopy experiments where we observed the development of bubbles in crystal bearing silicate magmas. Experimentally synthesized andesitic glasses with 0.25-0.5 wt% H2O and seed silicate crystals were heated at 1 atm to induce bubble nucleation and track bubble growth and movement. In contrast to previous studies on natural and experimentally produced samples, we found that bubbles readily nucleated on plagioclase and clinopyroxene crystals, that their contact angle changes during growth and that they can grow to sizes many times that of the silicate on whose surface they originated. The rapid heterogeneous nucleation of bubbles at low degrees of supersaturation in the presence of silicate crystals demonstrates that silicates can affect when vesiculation ensues, influencing subsequent permeability development and effusive vs. explosive transition in volcanic eruptions.

  14. 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

  15. submitter Heterogeneous ice nucleation of viscous secondary organic aerosol produced from ozonolysis of α-pinene

    CERN Document Server

    Ignatius, Karoliina; 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

    2016-01-01

    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 fraction...

  16. 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

  17. Effect of CaCO3(S) nucleation modes on algae removal from alkaline water.

    Science.gov (United States)

    Choi, Jin Yong; Kinney, Kerry A; Katz, Lynn E

    2016-02-29

    The role of calcite heterogeneous nucleation was studied in a particle coagulation treatment process for removing microalgae from water. Batch experiments were conducted with Scenedesmus sp. and Chlorella sp. in the presence and absence of carbonate and in the presence and absence of Mg to delineate the role of CaCO 3(S) nucleation on microalgae removal. The results indicate that effective algae coagulation (e.g., up to 81 % algae removal efficiency) can be achieved via heterogeneous nucleation with CaCO 3(S) ; however, supersaturation ratios between 120 and 200 are required to achieve at least 50% algae removal, depending on ion concentrations. Algae removal was attributed to adsorption of Ca 2+ onto the cell surface which provides nucleation sites for CaCO 3(S) precipitation. Bridging of calcite particles between the algal cells led to rapid aggregation and formation of larger flocs. However, at higher supersaturation conditions, algae removal was diminished due to the dominance of homogeneous nucleation of CaCO 3(S) . Removal of algae in the presence of Ca 2+ and Mg 2+ required higher supersaturation values; however, the shift from heteronucleation to homonucleation with increasing supersaturation was still evident. The results suggest that water chemistry, pH, ionic strength, alkalinity and Ca 2+ concentration can be optimized for algae removal via coagulation-sedimentation.

  18. Ice nucleation in sulfuric acid/organic aerosols: implications for cirrus cloud formation

    Directory of Open Access Journals (Sweden)

    M. R. Beaver

    2006-01-01

    Full Text Available Using an aerosol flow tube apparatus, we have studied the effects of aliphatic aldehydes (C3 to C10 and ketones (C3 and C9 on ice nucleation in sulfuric acid aerosols. Mixed aerosols were prepared by combining an organic vapor flow with a flow of sulfuric acid aerosols over a small mixing time (~60 s at room temperature. No acid-catalyzed reactions were observed under these conditions, and physical uptake was responsible for the organic content of the sulfuric acid aerosols. In these experiments, aerosol organic content, determined by a Mie scattering analysis, was found to vary with the partial pressure of organic, the flow tube temperature, and the identity of the organic compound. The physical properties of the organic compounds (primarily the solubility and melting point were found to play a dominant role in determining the inferred mode of nucleation (homogenous or heterogeneous and the specific freezing temperatures observed. Overall, very soluble, low-melting organics, such as acetone and propanal, caused a decrease in aerosol ice nucleation temperatures when compared with aqueous sulfuric acid aerosol. In contrast, sulfuric acid particles exposed to organic compounds of eight carbons and greater, of much lower solubility and higher melting temperatures, nucleate ice at temperatures above aqueous sulfuric acid aerosols. Organic compounds of intermediate carbon chain length, C4-C7, (of intermediate solubility and melting temperatures nucleated ice at the same temperature as aqueous sulfuric acid aerosols. Interpretations and implications of these results for cirrus cloud formation are discussed.

  19. Heterogeneous ice nucleation in aqueous solutions: the role of water activity.

    Science.gov (United States)

    Zobrist, B; Marcolli, C; Peter, T; Koop, T

    2008-05-01

    Heterogeneous ice nucleation experiments have been performed with four different ice nuclei (IN), namely nonadecanol, silica, silver iodide and Arizona test dust. All IN are either immersed in the droplets or located at the droplets surface. The IN were exposed to various aqueous solutions, which consist of (NH4)2SO4, H2SO4, MgCl2, NaCl, LiCl, Ca(NO3)2, K2CO3, CH3COONa, ethylene glycol, glycerol, malonic acid, PEG300 or a NaCl/malonic acid mixture. Freezing was studied using a differential scanning calorimeter and a cold finger cell. The results show that the heterogeneous ice freezing temperatures decrease with increasing solute concentration; however, the magnitude of this effect is solute dependent. In contrast, when the results are analyzed in terms of the solution water activity a very consistent behavior emerges: heterogeneous ice nucleation temperatures for all four IN converge each onto a single line, irrespective of the nature of the solute. We find that a constant offset with respect to the ice melting point curve, Deltaaw,het, can describe the observed freezing temperatures for each IN. Such a behavior is well-known for homogeneous ice nucleation from supercooled liquid droplets and has led to the development of water-activity-based ice nucleation theory. The large variety of investigated solutes together with different general types of ice nuclei studied (monolayers, ionic crystals, covalently bound network-forming compounds, and a mixture of chemically different crystallites) underlines the general applicability of water-activity-based ice nucleation theory also for heterogeneous ice nucleation in the immersion mode. Finally, the ice nucleation efficiencies of the various IN, as well as the atmospheric implication of the developed parametrization are discussed.

  20. 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.

  1. 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

  2. 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

  3. 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.

  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. 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.

  6. 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)

  7. Heat release determination in a constant volume combustion chamber from the instantaneous cylinder pressure

    International Nuclear Information System (INIS)

    Lapuerta, Magín; Sanz-Argent, Josep; Raine, Robert

    2014-01-01

    A diagnostic method has been developed to interpret the results of basic combustion studies with diesel-like fuels performed in a constant volume reactor originally conceived for cetane number measurements. The main target of the method is to calculate the instantaneous heat release over time from the chamber pressure experimental signal. The method incorporates filtering of the raw data to eliminate the oscillations recorded as a consequence of the location of the pressure sensor. It considers homogeneity of the gaseous mixture (single zone model) and change in its composition due to the combustion process. A semi-empirical heat transfer model was also proposed and its coefficients were fitted from experimental results obtained in the constant volume chamber using diesel fuel. -- Highlights: • A diagnostic model for constant volume reactors has been developed and tested. • Updating the gas composition after combustion improves accuracy of the method. • Heat transfer coefficients are used for the fulfillment of boundary conditions. • The model provides a deeper insight than the apparent heat release analysis

  8. Ice nucleation and cloud microphysical properties in tropical tropopause layer cirrus

    Directory of Open Access Journals (Sweden)

    E. J. Jensen

    2010-02-01

    Full Text Available In past modeling studies, it has generally been assumed that the predominant mechanism for nucleation of ice in the uppermost troposphere is homogeneous freezing of aqueous aerosols. However, recent in situ and remote-sensing measurements of the properties of cirrus clouds at very low temperatures in the tropical tropopause layer (TTL are broadly inconsistent with theoretial predictions based on the homogeneous freezing assumption. The nearly ubiquitous occurence of gravity waves in the TTL makes the predictions from homogeneous nucleation theory particularly difficult to reconcile with measurements. These measured properties include ice number concentrations, which are much lower than theory predicts; ice crystal size distributions, which are much broader than theory predicts; and cloud extinctions, which are much lower than theory predicts. Although other explanations are possible, one way to limit ice concentrations is to have on the order of 50 L−1 effective ice nuclei (IN that could nucleate ice at relatively low supersaturations. We suggest that ammonium sulfate particles, which would be dry much of the time in the cold TTL, are a potential IN candidate for TTL cirrus. However, this mechanism remains to be fully quantified for the size distribution of ammonium sulfate (possibly internally mixed with organics actually present in the upper troposphere. Possible implications of the observed cloud microphysical properties for ice sedimentation, dehydration, and cloud persistence are also discussed.

  9. Continuous-Variable Instantaneous Quantum Computing is Hard to Sample.

    Science.gov (United States)

    Douce, T; Markham, D; Kashefi, E; Diamanti, E; Coudreau, T; Milman, P; van Loock, P; Ferrini, G

    2017-02-17

    Instantaneous quantum computing is a subuniversal quantum complexity class, whose circuits have proven to be hard to simulate classically in the discrete-variable realm. We extend this proof to the continuous-variable (CV) domain by using squeezed states and homodyne detection, and by exploring the properties of postselected circuits. In order to treat postselection in CVs, we consider finitely resolved homodyne detectors, corresponding to a realistic scheme based on discrete probability distributions of the measurement outcomes. The unavoidable errors stemming from the use of finitely squeezed states are suppressed through a qubit-into-oscillator Gottesman-Kitaev-Preskill encoding of quantum information, which was previously shown to enable fault-tolerant CV quantum computation. Finally, we show that, in order to render postselected computational classes in CVs meaningful, a logarithmic scaling of the squeezing parameter with the circuit size is necessary, translating into a polynomial scaling of the input energy.

  10. Instantaneous chemical profiles of banknotes by ambient mass spectrometry.

    Science.gov (United States)

    Eberlin, Livia S; Haddad, Renato; Sarabia Neto, Ramon C; Cosso, Ricardo G; Maia, Denison R J; Maldaner, Adriano O; Zacca, Jorge Jardim; Sanvido, Gustavo B; Romão, Wanderson; Vaz, Boniek G; Ifa, Demian R; Dill, Allison; Cooks, R Graham; Eberlin, Marcos N

    2010-10-01

    Using two desorption/ionization techniques (DESI and EASI) and Brazilian real, US$ dollar, and euro bills as proof-of-principle techniques and samples, direct analysis by ambient mass spectrometry is shown to function as an instantaneous, reproducible, and non-destructive method for chemical analysis of banknotes. Characteristic chemical profiles were observed for the authentic bills and for the counterfeit bills made using different printing processes (inkjet, laserjet, phaser and off-set printers). Detection of real-world counterfeit bills and identification of the counterfeiting method has also been demonstrated. Chemically selective 2D imaging of banknotes has also been used to confirm counterfeiting. The nature of some key diagnostic ions has also been investigated via high accuracy FTMS measurements. The general applicability of ambient MS analysis for anti-counterfeiting strategies particularly via the use of "invisible ink" markers is discussed.

  11. Order Tracking Based on Robust Peak Search Instantaneous Frequency Estimation

    International Nuclear Information System (INIS)

    Gao, Y; Guo, Y; Chi, Y L; Qin, S R

    2006-01-01

    Order tracking plays an important role in non-stationary vibration analysis of rotating machinery, especially to run-up or coast down. An instantaneous frequency estimation (IFE) based order tracking of rotating machinery is introduced. In which, a peak search algorithms of spectrogram of time-frequency analysis is employed to obtain IFE of vibrations. An improvement to peak search is proposed, which can avoid strong non-order components or noises disturbing to the peak search work. Compared with traditional methods of order tracking, IFE based order tracking is simplified in application and only software depended. Testing testify the validity of the method. This method is an effective supplement to traditional methods, and the application in condition monitoring and diagnosis of rotating machinery is imaginable

  12. The relationship between continuum homogeneity and statistical homogeneity in cosmology

    International Nuclear Information System (INIS)

    Stoeger, W.R.; Ellis, G.F.R.; Hellaby, C.

    1987-01-01

    Although the standard Friedmann-Lemaitre-Robertson-Walker (FLRW) Universe models are based on the concept that the Universe is spatially homogeneous, up to the present time no definition of this concept has been proposed that could in principle be tested by observation. Such a definition is here proposed, based on a simple spatial averaging procedure, which relates observable properties of the Universe to the continuum homogeneity idea that underlies the FLRW models. It turns out that the statistical homogeneity often used to describe the distribution of matter on a large scale does not imply spatial homogeneity according to this definition, and so cannot be simply related to a FLRW Universe model. Values are proposed for the homogeneity parameter and length scale of homogeneity of the Universe. (author)

  13. 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

  14. 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%

  15. 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

  16. 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.

  17. Proposal of new bonding technique 'Instantaneous Liquid Phase (ILP) Bonding'

    International Nuclear Information System (INIS)

    Zhang, Yue-Chang; Nakagawa, Hiroji; Matsuda, Fukuhisa.

    1987-01-01

    A new bonding technique named ''Instantaneous Liquid Phase (ILP) bonding'' suitable mainly for welding dissimilar materials was proposed by which instantaneous melting of one or two of the faying surfaces is utilized. The processes of ILP bonding are mainly consisted of three stages, namely the first stage forming thin liquid layer by rapid heating, the second stage joining both specimens by thin liquid layer, and the third stage cooling the specimens rapidly to avoid the formation of brittle layer. The welding temperatures of the specimens to be welded in ILP bonding are generally differentiated from each other. ILP bonding was applied for a variety of combinations of dissimilar materials of aluminum, aluminum alloys, titanium, titanium alloy, carbon steel, austenitic stainless steel, copper and tungsten, and for similar materials of stainless steel and nickel-base alloy. There were no microvoids in these welding joints, and the formation of brittle layer at the bonding interface was suppressed. The welded joints of Al + Ti, Cu + carbon steel and Cu + austenitic stainless steel showed the fracture in base metal having lower tensile strength. Further, the welded joints of Al + carbon steel, Al alloy + Ti, Al alloy + carbon steel or + austenitic stainless steel, Ti + carbon steel or + austenitic stainless steel showed better tensile properties in the comparison with diffusion welding. Furthermore, ILP bonding was available for welding same materials susceptible to hot cracking. Because of the existence of liquid layer, the welding pressure required was extremely low, and preparation of faying surface by simple tooling or polishing by no.80 emery paper was enough. The change in specimen length before and after welding was relatively little, only depending on the thickness of liquid layer. The welding time was very short, and thus high welding efficiency was obtained. (author)

  18. Radiation statistics in homogeneous isotropic turbulence

    International Nuclear Information System (INIS)

    Da Silva, C B; Coelho, P J; Malico, I

    2009-01-01

    An analysis of turbulence-radiation interaction (TRI) in statistically stationary (forced) homogeneous and isotropic turbulence is presented. A direct numerical simulation code was used to generate instantaneous turbulent scalar fields, and the radiative transfer equation (RTE) was solved to provide statistical data relevant in TRI. The radiation intensity is non-Gaussian and is not spatially correlated with any of the other turbulence or radiation quantities. Its power spectrum exhibits a power-law region with a slope steeper than the classical -5/3 law. The moments of the radiation intensity, Planck-mean and incident-mean absorption coefficients, and emission and absorption TRI correlations are calculated. The influence of the optical thickness of the medium, mean and variance of the temperature and variance of the molar fraction of the absorbing species is studied. Predictions obtained from the time-averaged RTE are also included. It was found that while turbulence yields an increase of the mean blackbody radiation intensity, it causes a decrease of the time-averaged Planck-mean absorption coefficient. The absorption coefficient self-correlation is small in comparison with the temperature self-correlation, and the role of TRI in radiative emission is more important than in radiative absorption. The absorption coefficient-radiation intensity correlation is small, which supports the optically thin fluctuation approximation, and justifies the good predictions often achieved using the time-averaged RTE.

  19. Radiation statistics in homogeneous isotropic turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Da Silva, C B; Coelho, P J [Mechanical Engineering Department, IDMEC/LAETA, Instituto Superior Tecnico, Technical University of Lisbon, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Malico, I [Physics Department, University of Evora, Rua Romao Ramalho, 59, 7000-671 Evora (Portugal)], E-mail: carlos.silva@ist.utl.pt, E-mail: imbm@uevora.pt, E-mail: pedro.coelho@ist.utl.pt

    2009-09-15

    An analysis of turbulence-radiation interaction (TRI) in statistically stationary (forced) homogeneous and isotropic turbulence is presented. A direct numerical simulation code was used to generate instantaneous turbulent scalar fields, and the radiative transfer equation (RTE) was solved to provide statistical data relevant in TRI. The radiation intensity is non-Gaussian and is not spatially correlated with any of the other turbulence or radiation quantities. Its power spectrum exhibits a power-law region with a slope steeper than the classical -5/3 law. The moments of the radiation intensity, Planck-mean and incident-mean absorption coefficients, and emission and absorption TRI correlations are calculated. The influence of the optical thickness of the medium, mean and variance of the temperature and variance of the molar fraction of the absorbing species is studied. Predictions obtained from the time-averaged RTE are also included. It was found that while turbulence yields an increase of the mean blackbody radiation intensity, it causes a decrease of the time-averaged Planck-mean absorption coefficient. The absorption coefficient self-correlation is small in comparison with the temperature self-correlation, and the role of TRI in radiative emission is more important than in radiative absorption. The absorption coefficient-radiation intensity correlation is small, which supports the optically thin fluctuation approximation, and justifies the good predictions often achieved using the time-averaged RTE.

  20. A TRANSITION FROM HETEROGENEOUS TO HOMOGENEOUS NUCLEATION IN THE TURBULENT MIXING CNC. (R826654)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  1. Homogeneous Nucleation Rate Measurements of 1-Propanol in Helium: The Effect of Carrier Gas Pressure

    Czech Academy of Sciences Publication Activity Database

    Brus, David; Ždímal, Vladimír; Stratmann, F.

    2006-01-01

    Roč. 124, č. 16 (2006), Art. No. 164306 ISSN 0021-9606 R&D Projects: GA AV ČR(CZ) IAA2076203 Institutional research plan: CEZ:AV0Z40720504 Keywords : diffusion cloud-chamber * supersaturated vapor * background gases Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.166, year: 2006

  2. Ice cloud processing of ultra-viscous/glassy aerosol particles leads to enhanced ice nucleation ability

    Directory of Open Access Journals (Sweden)

    R. Wagner

    2012-09-01

    Full Text Available The ice nucleation potential of airborne glassy aqueous aerosol particles has been investigated by controlled expansion cooling cycles in the AIDA aerosol and cloud chamber of the Karlsruhe Institute of Technology at temperatures between 247 and 216 K. Four different solutes were used as proxies for oxygenated organic matter found in the atmosphere: raffinose, 4-hydroxy-3-methoxy-DL-mandelic acid (HMMA, levoglucosan, and a multi-component mixture of raffinose with five dicarboxylic acids and ammonium sulphate. Similar to previous experiments with citric acid aerosols, all particles were found to nucleate ice heterogeneously before reaching the homogeneous freezing threshold provided that the freezing cycles were started well below the respective glass transition temperatures of the compounds; this is discussed in detail in a separate article. In this contribution, we identify a further mechanism by which glassy aerosols can promote ice nucleation below the homogeneous freezing limit. If the glassy aerosol particles are probed in freezing cycles started only a few degrees below their respective glass transition temperatures, they enter the liquid regime of the state diagram upon increasing relative humidity (moisture-induced glass-to-liquid transition before being able to act as heterogeneous ice nuclei. Ice formation then only occurs by homogeneous freezing at elevated supersaturation levels. When ice forms the remaining solution freeze concentrates and re-vitrifies. If these ice cloud processed glassy aerosol particles are then probed in a second freezing cycle at the same temperature, they catalyse ice formation at a supersaturation threshold between 5 and 30% with respect to ice. By analogy with the enhanced ice nucleation ability of insoluble ice nuclei like mineral dusts after they nucleate ice once, we refer to this phenomenon as pre-activation. We propose a number of possible explanations for why glassy aerosol particles that have re

  3. 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

  4. 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.

  5. Homogenization of resonant chiral metamaterials

    OpenAIRE

    Andryieuski, Andrei; Menzel, Christoph; Rockstuhl, Carsten; Malureanu, Radu; Lederer, Falk; Lavrinenko, Andrei

    2010-01-01

    Homogenization of metamaterials is a crucial issue as it allows to describe their optical response in terms of effective wave parameters as e.g. propagation constants. In this paper we consider the possible homogenization of chiral metamaterials. We show that for meta-atoms of a certain size a critical density exists above which increasing coupling between neighboring meta-atoms prevails a reasonable homogenization. On the contrary, a dilution in excess will induce features reminiscent to pho...

  6. Bilipschitz embedding of homogeneous fractals

    OpenAIRE

    Lü, Fan; Lou, Man-Li; Wen, Zhi-Ying; Xi, Li-Feng

    2014-01-01

    In this paper, we introduce a class of fractals named homogeneous sets based on some measure versions of homogeneity, uniform perfectness and doubling. This fractal class includes all Ahlfors-David regular sets, but most of them are irregular in the sense that they may have different Hausdorff dimensions and packing dimensions. Using Moran sets as main tool, we study the dimensions, bilipschitz embedding and quasi-Lipschitz equivalence of homogeneous fractals.

  7. 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.

  8. 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....

  9. 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.

  10. 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.

  11. The instantaneous linear motion information measurement method based on inertial sensors for ships

    Science.gov (United States)

    Yang, Xu; Huang, Jing; Gao, Chen; Quan, Wei; Li, Ming; Zhang, Yanshun

    2018-05-01

    Ship instantaneous line motion information is the important foundation for ship control, which needs to be measured accurately. For this purpose, an instantaneous line motion measurement method based on inertial sensors is put forward for ships. By introducing a half-fixed coordinate system to realize the separation between instantaneous line motion and ship master movement, the instantaneous line motion acceleration of ships can be obtained with higher accuracy. Then, the digital high-pass filter is applied to suppress the velocity error caused by the low frequency signal such as schuler period. Finally, the instantaneous linear motion displacement of ships can be measured accurately. Simulation experimental results show that the method is reliable and effective, and can realize the precise measurement of velocity and displacement of instantaneous line motion for ships.

  12. Leak detection for city gas pipelines based on instantaneous energy distribution characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Zhigang, Chen [Deijing University of Civil Engineering and Architecture, Beijing, (China)

    2010-07-01

    Many natural gas pipelines are used in our cities. The development of efficient leakage detection systems is fundamental for safety issues avoidance. This paper investigated a new solution to the leak detection problem in city gas pipelines based on instantaneous energy distribution. In a theoretical approach, the Hilbert-Huang transform (HHT) was used to provide the instantaneous energy distribution feature of an unstable pressure signal. The signal noise was eliminated thanks to the instantaneous energy contribution. A leakage detection model with instantaneous energy distribution (IED) was then established. The correlation coefficients of instantaneous energy distribution were through correlation analysis. It was found that in different pipeline states, the instantaneous energy distribution characteristics are different. A strong correlation of IED signal characteristics was found of the two ends of a city gas pipeline in the same operation. The test results demonstrated the reliability and validity of the method.

  13. 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.

  14. Indirect radiative forcing by ion-mediated nucleation of aerosol

    Directory of Open Access Journals (Sweden)

    F. Yu

    2012-12-01

    Full Text Available A clear understanding of particle formation mechanisms is critical for assessing aerosol indirect radiative forcing and associated climate feedback processes. Recent studies reveal the importance of ion-mediated nucleation (IMN in generating new particles and cloud condensation nuclei (CCN in the atmosphere. Here we implement the IMN scheme into the Community Atmosphere Model version 5 (CAM5. Our simulations show that, compared to globally averaged results based on H2SO4-H2O binary homogeneous nucleation (BHN, the presence of ionization (i.e., IMN halves H2SO4 column burden, but increases the column integrated nucleation rate by around one order of magnitude, total particle number burden by a factor of ~3, CCN burden by ~10% (at 0.2% supersaturation to 65% (at 1.0% supersaturation, and cloud droplet number burden by ~18%. Compared to BHN, IMN increases cloud liquid water path by 7.5%, decreases precipitation by 1.1%, and increases total cloud cover by 1.9%. This leads to an increase of total shortwave cloud radiative forcing (SWCF by 3.67 W m−2 (more negative and longwave cloud forcing by 1.78 W m−2 (more positive, with large spatial variations. The effect of ionization on SWCF derived from this study (3.67 W m−2 is a factor of ~3 higher that of a previous study (1.15 W m−2 based on a different ion nucleation scheme and climate model. Based on the present CAM5 simulation, the 5-yr mean impacts of solar cycle induced changes in ionization rates on CCN and cloud forcing are small (~−0.02 W m−2 but have larger inter-annual (from −0.18 to 0.17 W m−2 and spatial variations.

  15. On the Importance of High Frequency Gravity Waves for Ice Nucleation in the Tropical Tropopause Layer

    Science.gov (United States)

    Jensen, Eric J.

    2016-01-01

    Recent investigations of the influence of atmospheric waves on ice nucleation in cirrus have identified a number of key processes and sensitivities: (1) ice concentrations produced by homogeneous freezing are strongly dependent on cooling rates, with gravity waves dominating upper tropospheric cooling rates; (2) rapid cooling driven by high-frequency waves are likely responsible for the rare occurrences of very high ice concentrations in cirrus; (3) sedimentation and entrainment tend to decrease ice concentrations as cirrus age; and (4) in some situations, changes in temperature tendency driven by high-frequency waves can quench ice nucleation events and limit ice concentrations. Here we use parcel-model simulations of ice nucleation driven by long-duration, constant-pressure balloon temperature time series, along with an extensive dataset of cold cirrus microphysical properties from the recent ATTREX high-altitude aircraft campaign, to statistically examine the importance of high-frequency waves as well as the consistency between our theoretical understanding of ice nucleation and observed ice concentrations. The parcel-model simulations indicate common occurrence of peak ice concentrations exceeding several hundred per liter. Sedimentation and entrainment would reduce ice concentrations as clouds age, but 1-D simulations using a wave parameterization (which underestimates rapid cooling events) still produce ice concentrations higher than indicated by observations. We find that quenching of nucleation events by high-frequency waves occurs infrequently and does not prevent occurrences of large ice concentrations in parcel simulations of homogeneous freezing. In fact, the high-frequency variability in the balloon temperature data is entirely responsible for production of these high ice concentrations in the simulations.

  16. Homogeneous cosmology with aggressively expanding civilizations

    International Nuclear Information System (INIS)

    Jay Olson, S

    2015-01-01

    In the context of a homogeneous Universe, we note that the appearance of aggressively expanding advanced life is geometrically similar to the process of nucleation and bubble growth in a first-order cosmological phase transition. We exploit this similarity to describe the dynamics of life saturating the Universe on a cosmic scale, adapting the phase transition model to incorporate probability distributions of expansion and resource consumption strategies. Through a series of numerical solutions spanning several orders of magnitude in the input assumption parameters, the resulting cosmological model is used to address basic questions related to the intergalactic spreading of life, dealing with issues such as timescales, observability, competition between strategies, and first-mover advantage. Finally, we examine physical effects on the Universe itself, such as reheating and the backreaction on the evolution of the scale factor, if such life is able to control and convert a significant fraction of the available pressureless matter into radiation. We conclude that the existence of life, if certain advanced technologies are practical, could have a significant influence on the future large-scale evolution of the Universe. (paper)

  17. Dynamic and Thermodynamic Properties of a CA Engine with Non-Instantaneous Adiabats

    Directory of Open Access Journals (Sweden)

    Ricardo T. Paéz-Hernández

    2017-11-01

    Full Text Available This paper presents an analysis of a Curzon and Alhborn thermal engine model where both internal irreversibilities and non-instantaneous adiabatic branches are considered, operating with maximum ecological function and maximum power output regimes. Its thermodynamic properties are shown, and an analysis of its local dynamic stability is performed. The results derived are compared throughout the work with the results obtained previously for a case in which the adiabatic branches were assumed as instantaneous. The results indicate a better performance for thermodynamic properties in the model with instantaneous adiabatic branches, whereas there is an improvement in robustness in the case where non-instantaneous adiabatic branches are considered.

  18. Emergency cricothyrotomy for trismus caused by instantaneous rigor in cardiac arrest patients.

    Science.gov (United States)

    Lee, Jae Hee; Jung, Koo Young

    2012-07-01

    Instantaneous rigor as muscle stiffening occurring in the moment of death (or cardiac arrest) can be confused with rigor mortis. If trismus is caused by instantaneous rigor, orotracheal intubation is impossible and a surgical airway should be secured. Here, we report 2 patients who had emergency cricothyrotomy for trismus caused by instantaneous rigor. This case report aims to help physicians understand instantaneous rigor and to emphasize the importance of securing a surgical airway quickly on the occurrence of trismus. Copyright © 2012 Elsevier Inc. All rights reserved.

  19. 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

  20. Homogenization theory in reactor lattices

    International Nuclear Information System (INIS)

    Benoist, P.

    1986-02-01

    The purpose of the theory of homogenization of reactor lattices is to determine, by the mean of transport theory, the constants of a homogeneous medium equivalent to a given lattice, which allows to treat the reactor as a whole by diffusion theory. In this note, the problem is presented by laying emphasis on simplicity, as far as possible [fr

  1. Constraining the instantaneous aerosol influence on cloud albedo

    Energy Technology Data Exchange (ETDEWEB)

    Gryspeerdt, Edward; Quaas, Johannes; Ferrachat, Sylvaine; Gettelman, Andrew; Ghan, Steven; Lohmann, Ulrike; Morrison, Hugh; Neubauer, David; Partridge, Daniel G.; Stier, Philip; Takemura, Toshihiko; Wang, Hailong; Wang, Minghuai; Zhang, Kai

    2017-04-26

    Much of the uncertainty in estimates of the anthropogenic forcing of climate change comes from uncertainties in the instantaneous effect of aerosols on cloud albedo, known as the Twomey effect or the radiative forcing from aerosol–cloud interactions (RFaci), a component of the total or effective radiative forcing. Because aerosols serving as cloud condensation nuclei can have a strong influence on the cloud droplet number concentration (Nd), previous studies have used the sensitivity of the Nd to aerosol properties as a constraint on the strength of the RFaci. However, recent studies have suggested that relationships between aerosol and cloud properties in the present-day climate may not be suitable for determining the sensitivity of the Nd to anthropogenic aerosol perturbations. Using an ensemble of global aerosol–climate models, this study demonstrates how joint histograms between Nd and aerosol properties can account for many of the issues raised by previous studies. It shows that if the anthropogenic contribution to the aerosol is known, the RFaci can be diagnosed to within 20% of its actual value. The accuracy of different aerosol proxies for diagnosing the RFaci is investigated, confirming that using the aerosol optical depth significantly underestimates the strength of the aerosol–cloud interactions in satellite data.

  2. Adaptive Window Zero-Crossing-Based Instantaneous Frequency Estimation

    Directory of Open Access Journals (Sweden)

    Sekhar S Chandra

    2004-01-01

    Full Text Available We address the problem of estimating instantaneous frequency (IF of a real-valued constant amplitude time-varying sinusoid. Estimation of polynomial IF is formulated using the zero-crossings of the signal. We propose an algorithm to estimate nonpolynomial IF by local approximation using a low-order polynomial, over a short segment of the signal. This involves the choice of window length to minimize the mean square error (MSE. The optimal window length found by directly minimizing the MSE is a function of the higher-order derivatives of the IF which are not available a priori. However, an optimum solution is formulated using an adaptive window technique based on the concept of intersection of confidence intervals. The adaptive algorithm enables minimum MSE-IF (MMSE-IF estimation without requiring a priori information about the IF. Simulation results show that the adaptive window zero-crossing-based IF estimation method is superior to fixed window methods and is also better than adaptive spectrogram and adaptive Wigner-Ville distribution (WVD-based IF estimators for different signal-to-noise ratio (SNR.

  3. Instantaneous input electrical power measurements of HITU transducer

    Energy Technology Data Exchange (ETDEWEB)

    Karaboece, B; Guelmez, Y [Tuebitak Ulusal Metroloji Enstituesue (UME), P.K. 54 41470 Gebze-Kocaeli (Turkey); Rajagapol, S; Shaw, A, E-mail: baki.karaboce@ume.tubitak.gov.t [National Physical Laboratory (NPL), Hampton Road, Teddington TW11 0LW (United Kingdom)

    2011-02-01

    HITU (High Intensity Theraupetic Ultrasound) transducers are widely used in therapeutic ultrasound in medicine. The output ultrasonic power of HITU transducer can be measured in number of methods described in IEC 61161 standard [1]. New IEC standards specifically for measurement of HITU equipment are under development. The ultrasound power radiated from a transducer is dependent on applied input electrical voltage and current and consequently power. But, up to now, no standardised method has been developed and adopted for the input electrical power measurements. Hence, a workpackage was carried out for the establishment of such method in the frequency range of 1 to 3 MHz as a part of EURAMET EMRP Era-net plus 'External Beam Cancer Therapy' project. Several current shunts were developed and evaluated. Current measurements were also realized with Philips current probe and preamplifier at NPL and Agilent current probe at UME. In this paper, a method for the measurement of instantaneous electrical power delivered to a reactive ultrasound transducer in the required frequency range is explored.

  4. Mineral Dust Instantaneous Radiative Forcing in the Arctic

    Science.gov (United States)

    Kylling, A.; Groot Zwaaftink, C. D.; Stohl, A.

    2018-05-01

    Mineral dust sources at high and low latitudes contribute to atmospheric dust loads and dust deposition in the Arctic. With dust load estimates from Groot Zwaaftink et al. (https://doi.org/10.1002/2016JD025482), we quantify the mineral dust instantaneous radiative forcing (IRF) in the Arctic for the year 2012. The annual-mean top of the atmosphere IRF is 0.225 W/m2, with the largest contributions from dust transported from Asia south of 60°N and Africa. High-latitude (>60°N) dust sources contribute about 39% to top of the atmosphere IRF and have a larger impact (1 to 2 orders of magnitude) on IRF per emitted kilogram of dust than low-latitude sources. Mineral dust deposited on snow accounts for nearly all of the bottom of the atmosphere IRF of 0.135 W/m2. More than half of the bottom of the atmosphere IRF is caused by dust from high-latitude sources, indicating substantial regional climate impacts rarely accounted for in current climate models.

  5. Instantaneous input electrical power measurements of HITU transducer

    International Nuclear Information System (INIS)

    Karaboece, B; Guelmez, Y; Rajagapol, S; Shaw, A

    2011-01-01

    HITU (High Intensity Theraupetic Ultrasound) transducers are widely used in therapeutic ultrasound in medicine. The output ultrasonic power of HITU transducer can be measured in number of methods described in IEC 61161 standard [1]. New IEC standards specifically for measurement of HITU equipment are under development. The ultrasound power radiated from a transducer is dependent on applied input electrical voltage and current and consequently power. But, up to now, no standardised method has been developed and adopted for the input electrical power measurements. Hence, a workpackage was carried out for the establishment of such method in the frequency range of 1 to 3 MHz as a part of EURAMET EMRP Era-net plus 'External Beam Cancer Therapy' project. Several current shunts were developed and evaluated. Current measurements were also realized with Philips current probe and preamplifier at NPL and Agilent current probe at UME. In this paper, a method for the measurement of instantaneous electrical power delivered to a reactive ultrasound transducer in the required frequency range is explored.

  6. Interpretation of the instantaneous frequency of phonocardiogram signals

    Science.gov (United States)

    Rey, Alexis B.

    2005-06-01

    Short-Time Fourier transforms, Wigner-Ville distribution, and Wavelet Transforms have been commonly used when dealing with non-stationary signals, and they have been known as time-frequency distributions. Also, it is commonly intended to investigate the behaviour of phonocardiogram signals as a means of prediction some oh the pathologies of the human hart. For this, this paper aims to analyze the relationship between the instantaneous frequency of a PCG signal and the so-mentioned time-frequency distributions; three algorithms using Matlab functions have been developed: the first one, the estimation of the IF using the normalized linear moment, the second one, the estimation of the IF using the periodic first moment, and the third one, the computing of the WVD. Meanwhile, the computing of the STFT spectrogram is carried out with a Matlab function. Several simulations of the spectrogram for a set of PCG signals and the estimation of the IF are shown, and its relationship is validated through correlation. Finally, the second algorithm is a better choice because the estimation is not biased, whereas the WVD is very computing-demanding and offers no benefit since the estimation of the IF by using this TFD has an equivalent result when using the derivative of the phase of the analytic signal, which is also less computing-demanding.

  7. Development and evaluation of an instantaneous atmospheric corrosion rate monitor

    Science.gov (United States)

    Mansfeld, F.; Jeanjaquet, S. L.; Kendig, M. W.; Roe, D. K.

    1985-06-01

    A research program was carried out in which a new instantaneous atmospheric corrosion rate monitor (ACRM) was developed and evaluated, and equipment was constructed which will allow the use of many sensors in an economical way in outdoor exposures. In the first task, the ACRM was developed and tested in flow chambers in which relative humidity and gaseous and particulate pollutant levels can be controlled. Diurnal cycles and periods of rain were simulated. The effects of aerosols were studied. A computerized system was used for collection, storage, and analysis of the electrochemical data. In the second task, a relatively inexpensive electronics system for control of the ACRM and measurement of atmospheric corrosion rates was designed and built. In the third task, calibration of deterioration rates of various metallic and nonmetallic materials with the response of the ACRMs attached to these materials was carried out under controlled environmental conditions using the system developed in the second task. A Quality Assurance project plan was prepared with inputs from the Rockwell International Environmental Monitoring and Service Center and Quality Assurance System audits were performed.

  8. Constraining the instantaneous aerosol influence on cloud albedo.

    Science.gov (United States)

    Gryspeerdt, Edward; Quaas, Johannes; Ferrachat, Sylvaine; Gettelman, Andrew; Ghan, Steven; Lohmann, Ulrike; Morrison, Hugh; Neubauer, David; Partridge, Daniel G; Stier, Philip; Takemura, Toshihiko; Wang, Hailong; Wang, Minghuai; Zhang, Kai

    2017-05-09

    Much of the uncertainty in estimates of the anthropogenic forcing of climate change comes from uncertainties in the instantaneous effect of aerosols on cloud albedo, known as the Twomey effect or the radiative forcing from aerosol-cloud interactions (RFaci), a component of the total or effective radiative forcing. Because aerosols serving as cloud condensation nuclei can have a strong influence on the cloud droplet number concentration ( N d ), previous studies have used the sensitivity of the N d to aerosol properties as a constraint on the strength of the RFaci. However, recent studies have suggested that relationships between aerosol and cloud properties in the present-day climate may not be suitable for determining the sensitivity of the N d to anthropogenic aerosol perturbations. Using an ensemble of global aerosol-climate models, this study demonstrates how joint histograms between N d and aerosol properties can account for many of the issues raised by previous studies. It shows that if the anthropogenic contribution to the aerosol is known, the RFaci can be diagnosed to within 20% of its actual value. The accuracy of different aerosol proxies for diagnosing the RFaci is investigated, confirming that using the aerosol optical depth significantly underestimates the strength of the aerosol-cloud interactions in satellite data.

  9. Instantaneous Respiratory Estimation from Thoracic Impedance by Empirical Mode Decomposition

    Directory of Open Access Journals (Sweden)

    Fu-Tai Wang

    2015-07-01

    Full Text Available Impedance plethysmography provides a way to measure respiratory activity by sensing the change of thoracic impedance caused by inspiration and expiration. This measurement imposes little pressure on the body and uses the human body as the sensor, thereby reducing the need for adjustments as body position changes and making it suitable for long-term or ambulatory monitoring. The empirical mode decomposition (EMD can decompose a signal into several intrinsic mode functions (IMFs that disclose nonstationary components as well as stationary components and, similarly, capture respiratory episodes from thoracic impedance. However, upper-body movements usually produce motion artifacts that are not easily removed by digital filtering. Moreover, large motion artifacts disable the EMD to decompose respiratory components. In this paper, motion artifacts are detected and replaced by the data mirrored from the prior and the posterior before EMD processing. A novel intrinsic respiratory reconstruction index that considers both global and local properties of IMFs is proposed to define respiration-related IMFs for respiration reconstruction and instantaneous respiratory estimation. Based on the experiments performing a series of static and dynamic physical activates, our results showed the proposed method had higher cross correlations between respiratory frequencies estimated from thoracic impedance and those from oronasal airflow based on small window size compared to the Fourier transform-based method.

  10. Instantaneous Respiratory Estimation from Thoracic Impedance by Empirical Mode Decomposition.

    Science.gov (United States)

    Wang, Fu-Tai; Chan, Hsiao-Lung; Wang, Chun-Li; Jian, Hung-Ming; Lin, Sheng-Hsiung

    2015-07-07

    Impedance plethysmography provides a way to measure respiratory activity by sensing the change of thoracic impedance caused by inspiration and expiration. This measurement imposes little pressure on the body and uses the human body as the sensor, thereby reducing the need for adjustments as body position changes and making it suitable for long-term or ambulatory monitoring. The empirical mode decomposition (EMD) can decompose a signal into several intrinsic mode functions (IMFs) that disclose nonstationary components as well as stationary components and, similarly, capture respiratory episodes from thoracic impedance. However, upper-body movements usually produce motion artifacts that are not easily removed by digital filtering. Moreover, large motion artifacts disable the EMD to decompose respiratory components. In this paper, motion artifacts are detected and replaced by the data mirrored from the prior and the posterior before EMD processing. A novel intrinsic respiratory reconstruction index that considers both global and local properties of IMFs is proposed to define respiration-related IMFs for respiration reconstruction and instantaneous respiratory estimation. Based on the experiments performing a series of static and dynamic physical activates, our results showed the proposed method had higher cross correlations between respiratory frequencies estimated from thoracic impedance and those from oronasal airflow based on small window size compared to the Fourier transform-based method.

  11. Magnetic control of heterogeneous ice nucleation with nanophase magnetite: Biophysical and agricultural implications.

    Science.gov (United States)

    Kobayashi, Atsuko; Horikawa, Masamoto; Kirschvink, Joseph L; Golash, Harry N

    2018-05-22

    In supercooled water, ice nucleation is a stochastic process that requires ∼250-300 molecules to transiently achieve structural ordering before an embryonic seed crystal can nucleate. This happens most easily on crystalline surfaces, in a process termed heterogeneous nucleation; without such surfaces, water droplets will supercool to below -30 °C before eventually freezing homogeneously. A variety of fundamental processes depends on heterogeneous ice nucleation, ranging from desert-blown dust inducing precipitation in clouds to frost resistance in plants. Recent experiments have shown that crystals of nanophase magnetite (Fe 3 O 4 ) are powerful nucleation sites for this heterogeneous crystallization of ice, comparable to other materials like silver iodide and some cryobacterial peptides. In natural materials containing magnetite, its ferromagnetism offers the possibility that magneto-mechanical motion induced by external oscillating magnetic fields could act to disrupt the water-crystal interface, inhibiting the heterogeneous nucleation process in subfreezing water and promoting supercooling. For this to act, the magneto-mechanical rotation of the particles should be higher than the magnitude of Brownian motions. We report here that 10-Hz precessing magnetic fields, at strengths of 1 mT and above, on ∼50-nm magnetite crystals dispersed in ultrapure water, meet these criteria and do indeed produce highly significant supercooling. Using these rotating magnetic fields, we were able to elicit supercooling in two representative plant and animal tissues (celery and bovine muscle), both of which have detectable, natural levels of ferromagnetic material. Tailoring magnetic oscillations for the magnetite particle size distribution in different tissues could maximize this supercooling effect. Copyright © 2018 the Author(s). Published by PNAS.

  12. 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

  13. 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

  14. 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

  15. 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.

  16. Instantaneous Power Compensation in Three-Phase Systems by Using p-q-r Theory

    DEFF Research Database (Denmark)

    Kim, Hyosung; Blaabjerg, Frede; Bak-Jensen, Birgitte

    2002-01-01

    Three linearly independent instantaneous powers have been defined in the time domain in three-phase four-wire systems with the use of p-q-r theory. Any three-phase circuit can be transformed into three single-phase circuits by the p-q-r transformation Thus the instantaneous powers in any three...

  17. Homogeneous Spaces and Equivariant Embeddings

    CERN Document Server

    Timashev, DA

    2011-01-01

    Homogeneous spaces of linear algebraic groups lie at the crossroads of algebraic geometry, theory of algebraic groups, classical projective and enumerative geometry, harmonic analysis, and representation theory. By standard reasons of algebraic geometry, in order to solve various problems on a homogeneous space it is natural and helpful to compactify it keeping track of the group action, i.e. to consider equivariant completions or, more generally, open embeddings of a given homogeneous space. Such equivariant embeddings are the subject of this book. We focus on classification of equivariant em

  18. Lagged and instantaneous dynamical influences related to brain structural connectivity

    Directory of Open Access Journals (Sweden)

    Carmen eAlonso Montes

    2015-07-01

    Full Text Available Contemporary neuroimaging methods can shed light on the basis of human neural and cognitive specializations, with important implications for neuroscience and medicine. Indeed, different MRI acquisitions provide different brain networks at the macroscale; whilst diffusion-weighted MRI (dMRI provides a structural connectivity (SC coincident with the bundles of parallel fibers between brain areas, functional MRI (fMRI accounts for the variations in the blood-oxygenation-level-dependent T2* signal, providing functional connectivity (FC. Understanding the precise relation between FC and SC, that is, between brain dynamics and structure, is still a challenge for neuroscience.To investigate this problem, we acquired data at rest and built the corresponding SC (with matrix elements corresponding to the fiber number between brain areas to be compared with FC connectivity matrices obtained by three different methods: directed dependencies by an exploratory version of structural equation modeling (eSEM, linear correlations (C and partial correlations (PC. We also considered the possibility of using lagged correlations in time series; in particular, we compared a lagged version of eSEM and Granger causality (GC. Our results were two-fold: firstly, eSEM performance in correlating with SC was comparable to those obtained from C and PC, but eSEM (not C, nor PC provides information about directionality of the functional interactions. Second, interactions on a time scale much smaller than the sampling time, captured by instantaneous connectivity methods, are much more related to SC than slow directed influences captured by the lagged analysis. Indeed the performance in correlating with SC was much worse for GC and for the lagged version of eSEM. We expect these results to supply further insights to the interplay between SC and functional patterns, an important issue in the study of brain physiology and function.

  19. Ice Nucleation of Soot Particles in the Cirrus Regime: Is Pore Condensation and Freezing Relevant for Soot?

    Science.gov (United States)

    Kanji, Z. A.; Mahrt, F.; David, R.; Marcolli, C.; Lohmann, U.; Fahrni, J.; Brühwiler, D.

    2017-12-01

    Heterogeneous ice nucleation (HIN) onto soot particles from previous studies have produced inconsistent results of temperature and relative humidity conditions required for freezing depending on the source of soot particle investigated. The ability of soot to act as HIN depended on the type of soot and size of particle. Often homogenous freezing conditions or water saturation conditions were required to freeze soot particles, rendering HIN irrelevant. Using synthesised mesoporous silica particles, we show pore condensation and freezing works with experiments performed in the Zurich Ice Nucleation Chamber (ZINC). By testing a variety of soot particles in parallel in the Horizontal Ice Nucleation Chamber (HINC), we suggest that previously observed HIN on soot particles is not the responsible mechanism for ice formation. Laboratory generated CAST brown and black soot, commercially available soot and acid treated soot were investigated for their ice nucleation abilities in the mixed-phase and cirrus cloud temperature regimes. No heterogeneous ice nucleation activity is inferred at T > -38 °C (mixed-phase cloud regime), however depending on particle size and soot type, HIN was observed for T nucleation of ice in the pores or cavities that are ubiquitous in soot particles between the primary spherules. The ability of some particles to freeze at lower relative humidity compared to others demonstrates why hydrophobicity plays a role in ice nucleation, i.e. controlling the conditions at which these cavities fill with water. Thus for more hydrophobic particles pore filling occurs at higher relative humidity, and therefore freezing of pore water and ice crystal growth. Future work focusses on testing the cloud processing ability of soot particles and water adsorption isotherms of the different soot samples to support the hydrophobicity inferences from the ice nucleation results.

  20. Lamellipodia nucleation by filopodia depends on integrin occupancy and downstream Rac1 signaling

    International Nuclear Information System (INIS)

    Guillou, Herve; Depraz-Depland, Adeline; Planus, Emmanuelle; Vianay, Benoit; Chaussy, Jacques; Grichine, Alexei; Albiges-Rizo, Corinne; Block, Marc R.

    2008-01-01

    Time-lapse video-microscopy unambiguously shows that fibroblast filopodia are the scaffold of lamellipodia nucleation that allows anisotropic cell spreading. This process was dissected into elementary stages by monitoring cell adhesion on micropatterned extracellular matrix arrays of various pitches. Adhesion structures are stabilized by contact with the adhesive plots and subsequently converted into lamellipodia-like extensions starting at the filopodia tips. This mechanism progressively leads to full cell spreading. Stable expression of the dominant-negative Rac1 N17 impairs this change in membrane extension mode and stops cell spreading on matrix arrays. Similar expression of the dominant-negative Cdc42 N17 impairs cell spreading on homogenous and structured substrate, suggesting that filopodia extension is a prerequisite for cell spreading in this model. The differential polarity of the nucleation of lamellipodial structures by filopodia on homogenous and structured surfaces starting from the cell body and of filopodia tip, respectively, suggested that this process is triggered by areas that are in contact with extracellular matrix proteins for longer times. Consistent with this view, wild-type cells cannot spread on microarrays made of function blocking or neutral anti-β 1 integrin antibodies. However, stable expression of a constitutively active Rac1 mutant rescues the cell ability to spread on these integrin microarrays. Thereby, lamellipodia nucleation by filopodia requires integrin occupancy by matrix substrate and downstream Rac1 signaling

  1. Thermally activated vapor bubble nucleation: The Landau-Lifshitz-Van der Waals approach

    Science.gov (United States)

    Gallo, Mirko; Magaletti, Francesco; Casciola, Carlo Massimo

    2018-05-01

    Vapor bubbles are formed in liquids by two mechanisms: evaporation (temperature above the boiling threshold) and cavitation (pressure below the vapor pressure). The liquid resists in these metastable (overheating and tensile, respectively) states for a long time since bubble nucleation is an activated process that needs to surmount the free energy barrier separating the liquid and the vapor states. The bubble nucleation rate is difficult to assess and, typically, only for extremely small systems treated at an atomistic level of detail. In this work a powerful approach, based on a continuum diffuse interface modeling of the two-phase fluid embedded with thermal fluctuations (fluctuating hydrodynamics), is exploited to study the nucleation process in homogeneous conditions, evaluating the bubble nucleation rates and following the long-term dynamics of the metastable system, up to the bubble coalescence and expansion stages. In comparison with more classical approaches, this methodology allows us on the one hand to deal with much larger systems observed for a much longer time than possible with even the most advanced atomistic models. On the other, it extends continuum formulations to thermally activated processes, impossible to deal with in a purely determinist setting.

  2. Heterogeneous nucleation promotes carrier transport in solution-processed organic field-effect transistors

    KAUST Repository

    Li, Ruipeng

    2012-09-04

    A new way to investigate and control the growth of solution-cast thin films is presented. The combination of in situ quartz crystal microbalance measurements with dissipation capabilities (QCM-D) and in situ grazing-incidence wide-angle X-ray scattering (GIWAXS) in an environmental chamber provides unique quantitative insights into the time-evolution of the concentration of the solution, the onset of nucleation, and the mode of growth of the organic semiconductor under varied drying conditions. It is demonstrated that careful control over the kinetics of solution drying enhances carrier transport significantly by promoting phase transformation predominantly via heterogeneous nucleation and sustained surface growth of a highly lamellar structure at the solid-liquid interface at the expense of homogeneous nucleation. A new way to investigate and control the growth of drop-cast thin films is presented. The solution-processing of small-molecule thin films of TIPS-pentacene is investigated using time-resolved techniques to reveal the mechanisms of nucleation and growth leading to solid film formation. By tuning the drying speed of the solution, the balance between surface and bulk growth modes is altered, thereby controlling the lamellar formation and tuning the carrier mobility in organic field-effect transistors Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. 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.

  4. 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....

  5. 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...

  6. 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.

  7. 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

  8. 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)

  9. Qualitative analysis of homogeneous universes

    International Nuclear Information System (INIS)

    Novello, M.; Araujo, R.A.

    1980-01-01

    The qualitative behaviour of cosmological models is investigated in two cases: Homogeneous and isotropic Universes containing viscous fluids in a stokesian non-linear regime; Rotating expanding universes in a state which matter is off thermal equilibrium. (Author) [pt

  10. A second stage homogenization method

    International Nuclear Information System (INIS)

    Makai, M.

    1981-01-01

    A second homogenization is needed before the diffusion calculation of the core of large reactors. Such a second stage homogenization is outlined here. Our starting point is the Floquet theorem for it states that the diffusion equation for a periodic core always has a particular solution of the form esup(j)sup(B)sup(x) u (x). It is pointed out that the perturbation series expansion of function u can be derived by solving eigenvalue problems and the eigenvalues serve to define homogenized cross sections. With the help of these eigenvalues a homogenized diffusion equation can be derived the solution of which is cos Bx, the macroflux. It is shown that the flux can be expressed as a series of buckling. The leading term in this series is the well known Wigner-Seitz formula. Finally three examples are given: periodic absorption, a cell with an absorber pin in the cell centre, and a cell of three regions. (orig.)

  11. Homogenization methods for heterogeneous assemblies

    International Nuclear Information System (INIS)

    Wagner, M.R.

    1980-01-01

    The third session of the IAEA Technical Committee Meeting is concerned with the problem of homogenization of heterogeneous assemblies. Six papers will be presented on the theory of homogenization and on practical procedures for deriving homogenized group cross sections and diffusion coefficients. That the problem of finding so-called ''equivalent'' diffusion theory parameters for the use in global reactor calculations is of great practical importance. In spite of this, it is fair to say that the present state of the theory of second homogenization is far from being satisfactory. In fact, there is not even a uniquely accepted approach to the problem of deriving equivalent group diffusion parameters. Common agreement exists only about the fact that the conventional flux-weighting technique provides only a first approximation, which might lead to acceptable results in certain cases, but certainly does not guarantee the basic requirement of conservation of reaction rates

  12. 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.}

  13. 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

  14. 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

  15. 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.

  16. Spinor structures on homogeneous spaces

    International Nuclear Information System (INIS)

    Lyakhovskii, V.D.; Mudrov, A.I.

    1993-01-01

    For multidimensional models of the interaction of elementary particles, the problem of constructing and classifying spinor fields on homogeneous spaces is exceptionally important. An algebraic criterion for the existence of spinor structures on homogeneous spaces used in multidimensional models is developed. A method of explicit construction of spinor structures is proposed, and its effectiveness is demonstrated in examples. The results are of particular importance for harmonic decomposition of spinor fields

  17. A personal view on homogenization

    International Nuclear Information System (INIS)

    Tartar, L.

    1987-02-01

    The evolution of some ideas is first described. Under the name homogenization are collected all the mathematical results who help understanding the relations between the microstructure of a material and its macroscopic properties. Homogenization results are given through a critically detailed bibliography. The mathematical models given are systems of partial differential equations, supposed to describe some properties at a scale ε and we want to understand what will happen to the solutions if ε tends to 0

  18. Pulsed ion-beam induced nucleation and growth of Ge nanocrystals on SiO2

    International Nuclear Information System (INIS)

    Stepina, N. P.; Dvurechenskii, A. V.; Armbrister, V. A.; Kesler, V. G.; Novikov, P. L.; Gutakovskii, A. K.; Kirienko, V. V.; Smagina, Zh. V.; Groetzschel, R.

    2007-01-01

    Pulsed low-energy (200 eV) ion-beam induced nucleation during Ge deposition on thin SiO 2 film was used to form dense homogeneous arrays of Ge nanocrystals. The ion-beam action is shown to stimulate the nucleation of Ge nanocrystals when being applied after thin Ge layer deposition. Temperature and flux variation was used to optimize the nanocrystal size and array density required for memory device. Kinetic Monte Carlo simulation shows that ion impacts open an additional channel of atom displacement from a nanocrystal onto SiO 2 surface. This results both in a decrease in the average nanocrystal size and in an increase in nanocrystal density

  19. Control of nucleation and crystal growth of a silicate apatitic phase in a glassy matrix

    International Nuclear Information System (INIS)

    Ligny, D.; Caurant, D.; Bardez, I.; Dussossoy, J.L.; Loiseau, P.; Neuville, D.R.

    2004-01-01

    Nucleation and growth of crystal in an oxide glass was studied in a Si B Al Zr Nd Ca Na O system. The nucleation and growth process were monitored by thermal analysis and isothermal experiments. The effect of the network modifier was studied. Therefore for a Ca rich sample the crystallization is homogeneous in the bulk showing a slow increase of crystallinity as temperature increases. On the other hand, a Na rich sample undergoes several crystallization processes in the bulk or from the surface, leading to bigger crystals. The activation energy of the viscous flow and the glass transition are of same magnitude when that of crystallization is a lot smaller. Early diffusion of element is done with a mechanism different than the configurational rearrangements of the liquid sate. The global density and small size of the crystals within the Ca rich matrix confirmed that it would be a profitable waste form for minor actinides. (authors)

  20. Direct numerical simulation of homogeneous stratified rotating turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Iida, O.; Tsujimura, S.; Nagano, Y. [Nagoya Institute of Technology, Department of Mech. Eng., Nagoya (Japan)

    2005-12-01

    The effects of the Prandtl number on stratified rotating turbulence have been studied in homogeneous turbulence by using direct numerical simulations and a rapid distortion theory. Fluctuations under strong stable-density stratification can be theoretically divided into the WAVE and the potential vorticity (PV) modes. In low-Prandtl-number fluids, the WAVE mode deteriorates, while the PV mode remains. Imposing rotation on a low-Prandtl-number fluid makes turbulence two-dimensional as well as geostrophic; it is found from the instantaneous turbulent structure that the vortices merge to form a few vertically-elongated vortex columns. During the period toward two-dimensionalization, the vertical vortices become asymmetric in the sense of rotation. (orig.)

  1. Understanding ice nucleation characteristics of selective mineral dusts suspended in solution

    Science.gov (United States)

    Kumar, Anand; Marcolli, Claudia; Kaufmann, Lukas; Krieger, Ulrich; Peter, Thomas

    2016-04-01

    Introduction & Objectives 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 Kaufmann (PhD Thesis 2015, ETHZ) with Hoggar Mountain dust suspensions in various solutes (ammonium sulfate, PEG, malonic acid and glucose) showed reduced ice nucleation efficiency (in immersion mode) of the particles. Though it is still quite unclear of how surface modifications and coatings influence the ice nucleation activity of the components present in natural dust samples. In view of these results we run freezing experiments using a differential scanning calorimeter (DSC) with the following mineral dust particles suspended in pure water and ammonium sulfate solutions: Arizona Test Dust (ATD), microcline, and kaolinite (KGa-2, Clay Mineral Society). Methodology Suspensions of mineral dust samples (ATD: 2 weight%, microcline: 5% weight, KGa-2: 5% weight) are prepared in pure water with varying solute concentrations (ammonium sulfate: 0 - 10% weight). 20 vol% of this suspension plus 80 vol% of a mixture of 95 wt% mineral oil (Aldrich Chemical) and 5 wt% lanolin (Fluka Chemical) is emulsified with a

  2. Homogenization of neutronic diffusion models

    International Nuclear Information System (INIS)

    Capdebosq, Y.

    1999-09-01

    In order to study and simulate nuclear reactor cores, one needs to access the neutron distribution in the core. In practice, the description of this density of neutrons is given by a system of diffusion equations, coupled by non differential exchange terms. The strong heterogeneity of the medium constitutes a major obstacle to the numerical computation of this models at reasonable cost. Homogenization appears as compulsory. Heuristic methods have been developed since the origin by nuclear physicists, under a periodicity assumption on the coefficients. They consist in doing a fine computation one a single periodicity cell, to solve the system on the whole domain with homogeneous coefficients, and to reconstruct the neutron density by multiplying the solutions of the two computations. The objectives of this work are to provide mathematically rigorous basis to this factorization method, to obtain the exact formulas of the homogenized coefficients, and to start on geometries where two periodical medium are placed side by side. The first result of this thesis concerns eigenvalue problem models which are used to characterize the state of criticality of the reactor, under a symmetry assumption on the coefficients. The convergence of the homogenization process is proved, and formulas of the homogenized coefficients are given. We then show that without symmetry assumptions, a drift phenomenon appears. It is characterized by the mean of a real Bloch wave method, which gives the homogenized limit in the general case. These results for the critical problem are then adapted to the evolution model. Finally, the homogenization of the critical problem in the case of two side by side periodic medium is studied on a one dimensional on equation model. (authors)

  3. 7 CFR 58.920 - Homogenization.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 3 2010-01-01 2010-01-01 false Homogenization. 58.920 Section 58.920 Agriculture... Procedures § 58.920 Homogenization. Where applicable concentrated products shall be homogenized for the... homogenization and the pressure at which homogenization is accomplished will be that which accomplishes the most...

  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 moduli stabilized. It is argued that such processes are unlikely to be described by effective field theory

  7. The ice nucleation activity of extremophilic algae

    Czech Academy of Sciences Publication Activity Database

    Kvíderová, Jana; Hájek, J.; Worland, M. R.

    2013-01-01

    Roč. 34, č. 2 (2013), s. 137-148 ISSN 0143-2044 R&D Projects: GA AV ČR KJB601630808; GA AV ČR KJB600050708 Institutional support: RVO:67985939 Keywords : Ice nucleation * snow algae * lichen photobionts Subject RIV: EF - Botanics Impact factor: 0.640, year: 2013

  8. 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.

  9. Binary nucleation of water and sodium chloride

    Czech Academy of Sciences Publication Activity Database

    Němec, Tomáš; Maršík, František; Palmer, A.

    2006-01-01

    Roč. 124, č. 4 (2006), 0445091-0445096 ISSN 0021-9606 R&D Projects: GA ČR(CZ) GA101/05/2536 Institutional research plan: CEZ:AV0Z20760514 Keywords : binary nucleation * sodium chloride * water Subject RIV: BJ - Thermodynamics Impact factor: 3.166, year: 2006

  10. Representation of Nucleation Mode Microphysics in a Global Aerosol Model with Sectional Microphysics

    Science.gov (United States)

    Lee, Y. H.; Pierce, J. R.; Adams, P. J.

    2013-01-01

    the overprediction of J10 or J3 with the parameterized microphysics, possibly due to the instantaneous growth rate assumption in the survival and growth parameterization. The errors in CN10 predictions are sensitive to the choice of the lower size boundary but not to the choice of the time step applied to the microphysical processes. The spatial distribution of CCN(0.2 %) with the 3 nm boundary is almost identical to that with the 1 nm boundary, but that with the 10 nm boundary can differ more than 10-40% in some areas. We found that the deviation in the 10 nm simulations is partly due to the longer time step (i.e., 1 h time step used in the 10 nm simulations compared to 10 min time step used in the benchmark simulations), but, even with the same time step, the 10 nm cutoff showed noticeably higher errors than the 3 nm cutoff. In conclusion, we generally recommend using a lower diameter boundary of 3 nm for studies focused on aerosol indirect effects but down to 1 nm boundary for studies focused on CN10 predictions or nucleation.

  11. 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

  12. Influence of an oscillator bath on the nucleation rate

    International Nuclear Information System (INIS)

    Amritkar, R.E.

    1984-09-01

    The nucleation rate of a system in a metastable state coupled to an oscillator bath is considered. It is shown that for a weak coupling and small oscillator frequencies the nucleation rate increases. (author)

  13. Ice nucleation activity of diesel soot particles at cirrus relevant temperature conditions: Effects of hydration, secondary organics coating, soot morphology, and coagulation

    Science.gov (United States)

    Kulkarni, Gourihar; China, Swarup; Liu, Shang; Nandasiri, Manjula; Sharma, Noopur; Wilson, Jacqueline; Aiken, Allison C.; Chand, Duli; Laskin, Alexander; Mazzoleni, Claudio; Pekour, Mikhail; Shilling, John; Shutthanandan, Vaithiyalingam; Zelenyuk, Alla; Zaveri, Rahul A.

    2016-04-01

    Ice formation by diesel soot particles was investigated at temperatures ranging from -40 to -50°C. Size-selected soot particles were physically and chemically aged in an environmental chamber, and their ice nucleating properties were determined using a continuous flow diffusion type ice nucleation chamber. Bare (freshly formed), hydrated, and compacted soot particles, as well as α-pinene secondary organic aerosol (SOA)-coated soot particles at high relative humidity conditions, showed ice formation activity at subsaturation conditions with respect to water but below the homogeneous freezing threshold conditions. However, SOA-coated soot particles at dry conditions were observed to freeze at homogeneous freezing threshold conditions. Overall, our results suggest that heterogeneous ice nucleation activity of freshly emitted diesel soot particles are sensitive to some of the aging processes that soot can undergo in the atmosphere.

  14. Properties of subvisible cirrus clouds formed by homogeneous freezing

    Directory of Open Access Journals (Sweden)

    B. Kärcher

    2002-01-01

    Full Text Available Number concentrations and mean sizes of ice crystals and derived microphysical and optical properties of subvisible cirrus clouds (SVCs formed by homogeneous freezing of supercooled aerosols are investigated as a function of temperature and updraft speed of adiabatically ascending air parcels. The properties of such clouds are insensitive to variations of the aerosol number and size distribution. Based on criteria constraining the optical extinction, sedimentation time, and existence time of SVCs, longer-lived (>10min clouds, capable of exerting a measurable radiative or chemical impact, are generated within a narrow range of updraft speeds below 1-2cm s-1 at temperatures below about 215K, with concentrations of ice crystals not exceeding 0.1cm-3. The clouds do not reach an equilibrium state because the ice crystals sediment out of the formation layer typically before the supersaturation is removed. Two important conclusions emerge from this work. First, the above characteristics of SVCs may provide an explanation for why SVCs are more common in the cold tropical than in the warmer midlatitude tropopause region. Second, it seems likely that a limited number (-3 of effective heterogeneous freezing nuclei that nucleate ice below the homogeneous freezing threshold can control the formation and properties of SVCs, although homogeneous freezing nuclei are far more abundant.

  15. 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.

  16. The impact of dissolved fluorine on bubble nucleation in hydrous rhyolite melts

    Science.gov (United States)

    Gardner, James E.; Hajimirza, Sahand; Webster, James D.; Gonnermann, Helge M.

    2018-04-01

    Surface tension of hydrous rhyolitic melt is high enough that large degrees of supersaturation are needed to homogeneously nucleate H2O bubbles during eruptive magma ascent. This study examines whether dissolved fluorine lowers surface tension of hydrous rhyolite, and thus lowers the supersaturation required for bubble nucleation. Fluorine was targeted because it, like H2O, changes melt properties and is highly soluble, unlike all other common magmatic volatiles. Rhyolite melts were saturated at Ps = 245 MPa with H2O fluid that contained F, generating rhyolite with 6.7 ± 0.4 wt.% H2O and 1.1-1.3 wt.% F. When these melts were decompressed rapidly to Pf = 149-202 MPa and quenched after 60 s, bubbles nucleated at supersaturations of ΔP = Ps - Pf ≥52 MPa, and reached bubble number densities of NB = 1012-13 m-3 at ΔP = 78-101 MPa. In comparison, rhyolite saturated with 6.34 ± 0.09 wt.% H2O, but only 0.25 wt.% F, did not nucleate bubbles until ΔP ≥ 100-116 MPa, and even then, at significantly lower NB (<1010 m-3). Numerical modeling of bubble nucleation and growth was used to estimate the values of surface tension required to generate the observed values of NB. Slight differences in melt compositions (i.e., alkalinity and H2O content), H2O diffusivity, or melt viscosity cannot explain the observed differences in NB. Instead, surface tension of F-rich rhyolite must be lower by approximately 4% than that of F-poor rhyolite. This difference in surface tension is significant and, for example, exceeds that found between hydrous basaltic andesite and hydrous rhyolite. These results suggest that is likely that surface tension for F-rich magmas, such as topaz rhyolite, is significantly lower than for F-poor magmas.

  17. Genetic Homogenization of Composite Materials

    Directory of Open Access Journals (Sweden)

    P. Tobola

    2009-04-01

    Full Text Available The paper is focused on numerical studies of electromagnetic properties of composite materials used for the construction of small airplanes. Discussions concentrate on the genetic homogenization of composite layers and composite layers with a slot. The homogenization is aimed to reduce CPU-time demands of EMC computational models of electrically large airplanes. First, a methodology of creating a 3-dimensional numerical model of a composite material in CST Microwave Studio is proposed focusing on a sufficient accuracy of the model. Second, a proper implementation of a genetic optimization in Matlab is discussed. Third, an association of the optimization script and a simplified 2-dimensional model of the homogeneous equivalent model in Comsol Multiphysics is proposed considering EMC issues. Results of computations are experimentally verified.

  18. Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways.

    Science.gov (United States)

    Lifanov, Yuri; Vorselaars, Bart; Quigley, David

    2016-12-07

    We study a three-species analogue of the Potts lattice gas model of nucleation from solution in a regime where partially disordered solute is a viable thermodynamic phase. Using a multicanonical sampling protocol, we compute phase diagrams for the system, from which we determine a parameter regime where the partially disordered phase is metastable almost everywhere in the temperature-fugacity plane. The resulting model shows non-trivial nucleation and growth behaviour, which we examine via multidimensional free energy calculations. We consider the applicability of the model in capturing the multi-stage nucleation mechanisms of polymorphic biominerals (e.g., CaCO 3 ). We then quantitatively explore the kinetics of nucleation in our model using the increasingly popular "seeding" method. We compare the resulting free energy barrier heights to those obtained via explicit free energy calculations over a wide range of temperatures and fugacities, carefully considering the propagation of statistical error. We find that the ability of the "seeding" method to reproduce accurate free energy barriers is dependent on the degree of supersaturation, and severely limited by the use of a nucleation driving force Δμ computed for bulk phases. We discuss possible reasons for this in terms of underlying kinetic assumptions, and those of classical nucleation theory.

  19. Freezing nucleation apparatus puts new slant on study of biological ice nucleators in precipitation

    Science.gov (United States)

    Stopelli, E.; Conen, F.; Zimmermann, L.; Alewell, C.; Morris, C. E.

    2014-01-01

    For decades, drop-freezing instruments have contributed to a better understanding of biological ice nucleation and its likely implications for cloud and precipitation development. Yet, current instruments have limitations. Drops analysed on a cold stage are subject to evaporation and potential contamination. The use of closed tubes provides a partial solution to these problems, but freezing events are still difficult to be clearly detected. Here, we present a new apparatus where freezing in closed tubes is detected automatically by a change in light transmission upon ice development, caused by the formation of air bubbles and crystal facets that scatter light. Risks of contamination and introduction of biases linked to detecting the freezing temperature of a sample are then minimized. To illustrate the performance of the new apparatus we show initial results of two assays with snow samples. In one, we repeatedly analysed the sample (208 tubes) over the course of a month with storage at +4 °C, during which evidence for biological ice nucleation activity emerged through an increase in the number of ice nucleators active around -4 °C. In the second assay, we indicate the possibility of increasingly isolating a single ice nucleator from a precipitation sample, potentially determining the nature of a particle responsible for a nucleation activity measured directly in the sample. These two seminal approaches highlight the relevance of this handy apparatus for providing new points of view in biological ice nucleation research.

  20. Non stationary nucleation: the model with minimal environment

    OpenAIRE

    Kurasov, Victor

    2013-01-01

    A new model to calculate the rate of nucleation is formulated. This model is based on the classical nucleation theory but considers also vapor depletion around the formed embryo. As the result the free energy has to be recalculated which brings a new expression for the nucleation rate.

  1. 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

  2. Nucleation, Melting Behaviour and Mechanical Properties of Poly(L ...

    African Journals Online (AJOL)

    Anew category of nucleating agent for poly(L-lactic acid) (PLLA) was developed. An organic nucleating agent; N,N'-bis(benzoyl) suberic acid dihydrazide (NA) was synthesized from benzoyl hydrazine and suberoyl chloride which was deprived from suberic acid via acylation. The nucleation, melting behaviour and ...

  3. Simulations of a non-Markovian description of nucleation

    NARCIS (Netherlands)

    Kuipers, J.; Barkema, G.T.

    2010-01-01

    In most nucleation theories, the state of a nucleating system is described by a distribution of droplet masses and this distribution evolves as a memoryless stochastic process. This is incorrect for a large class of nucleating systems. In a recent paper [ J. Kuipers and G. T. Barkema, Phys. Rev. E

  4. Nucleation of colloidal crystals on configurable seed structures

    NARCIS (Netherlands)

    Hermes, M; Vermolen, E.C.M.; Leunissen, M.E.; Vossen, D.L.J.; van Oostrum, P.D.J.; Dijkstra, M.; van Blaaderen, A.

    2011-01-01

    Nucleation is an important stage in the growth of crystals. During this stage, the structure and orientation of a crystal are determined. However, short time- and length-scales make nucleation poorly understood. Micrometer-sized colloidal particles form an ideal model system to study nucleation due

  5. A spatially resolved network spike in model neuronal cultures reveals nucleation centers, circular traveling waves and drifting spiral waves.

    Science.gov (United States)

    Paraskevov, A V; Zendrikov, D K

    2017-03-23

    We show that in model neuronal cultures, where the probability of interneuronal connection formation decreases exponentially with increasing distance between the neurons, there exists a small number of spatial nucleation centers of a network spike, from where the synchronous spiking activity starts propagating in the network typically in the form of circular traveling waves. The number of nucleation centers and their spatial locations are unique and unchanged for a given realization of neuronal network but are different for different networks. In contrast, if the probability of interneuronal connection formation is independent of the distance between neurons, then the nucleation centers do not arise and the synchronization of spiking activity during a network spike occurs spatially uniform throughout the network. Therefore one can conclude that spatial proximity of connections between neurons is important for the formation of nucleation centers. It is also shown that fluctuations of the spatial density of neurons at their random homogeneous distribution typical for the experiments in vitro do not determine the locations of the nucleation centers. The simulation results are qualitatively consistent with the experimental observations.

  6. Minimum energy path for the nucleation of misfit dislocations in Ge/Si(0 0 1) heteroepitaxy

    International Nuclear Information System (INIS)

    Trushin, O; Maras, E; Jónsson, H; Ala-Nissila, T; Stukowski, A; Granato, E; Ying, S C

    2016-01-01

    A possible mechanism for the formation of a 90° misfit dislocation at the Ge/Si(0 0 1) interface through homogeneous nucleation is identified from atomic scale calculations where a minimum energy path connecting the coherent epitaxial state and a final state with a 90° misfit dislocation is found using the nudged elastic band method. The initial path is generated using a repulsive bias activation procedure in a model system including 75 000 atoms. The energy along the path exhibits two maxima in the energy. The first maximum occurs as a 60° dislocation nucleates. The intermediate minimum corresponds to an extended 60° dislocation. The subsequent energy maximum occurs as a second 60° dislocation nucleates in a complementary, mirror glide plane, simultaneously starting from the surface and from the first 60° dislocation. The activation energy of the nucleation of the second dislocation is 30% lower than that of the first one showing that the formation of the second 60° dislocation is aided by the presence of the first one. The simulations represent a step towards unraveling the formation mechanism of 90° dislocations, an important issue in the design of growth procedures for strain released Ge overlayers on Si(1 0 0) surfaces, and more generally illustrate an approach that can be used to gain insight into the mechanism of complex nucleation paths of extended defects in solids. (paper)

  7. Geomagnetic Components D, H, X, Y, Z, and R 10-second Instantaneous Measurements

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — These data are generated as part of the International Magnetospheric Study. The file consists of 10-second instantaneous measurements for the geomagnetic components...

  8. Instantaneous thermal modeling of the DC-link capacitor in PhotoVoltaic systems

    DEFF Research Database (Denmark)

    Yang, Yongheng; Ma, Ke; Wang, Huai

    2015-01-01

    , instantaneous thermal modeling approaches considering mission profiles for the DC-link capacitor in single-phase PV systems are explored in this paper. These thermal modelling approaches are based on: a) fast Fourier transform, b) look-up tables, and c) ripple current reconstruction. Moreover, the thermal...... grid-connected PV system have been adopted to demonstrate a look-up table based modelling approach, where real-field daily ambient conditions are considered....... modelling approaches for the DC-link capacitors take into account the instantaneous thermal characteristics, which are more challenging to the capacitor reliability during operation. Such instantaneous thermal modeling approaches enable a translation of instantaneous capacitor power losses to capacitor...

  9. Digital instantaneous frequency measurement technique utilising high-speed ADC’s and FPGA’s

    CSIR Research Space (South Africa)

    Herselman, PL

    2006-02-27

    Full Text Available This paper presents the Digital Instantaneous Frequency Measurement (DIFM) technique, which can measure the carrier frequency of a received waveform within a fraction of a microsecond. The resulting frequency range, resolution and accuracy...

  10. Receive antenna selection for underlay cognitive radio with instantaneous interference constraint

    KAUST Repository

    Hanif, Muhammad Fainan; Yang, Hongchuan; Alouini, Mohamed-Slim

    2015-01-01

    . These results are then applied to the outage and average bit error rate analysis when the secondary transmitter changes the transmit power in finite discrete levels to satisfy the instantaneous interference constraint at the primary receiver.

  11. Assessment of movement distribution in the lumbar spine using the instantaneous axis of rotation

    Energy Technology Data Exchange (ETDEWEB)

    Park, Ki Won [Trine University, Angola (Indonesia)

    2014-12-15

    The position of the torso and the magnitude of exertion are thought to influence the distribution pattern of intervertebral movements within the lumbar spine. Abnormal intervertebral movements have been correlated with the risk of spine injuries. Since the capability to measure movement distribution within the lumbar spine noninvasively is limited, a convenient method to diagnose joint motion function was proposed. The goal of this research was to test the efficacy of the instantaneous axis of rotation for assessment of the distribution of movement within the lumbar spine. The proposed method was evaluated in the bio mechanical model. The results showed that the location of instantaneous axis of rotation lowered with increased trunk exertion force, and slightly moved higher with increased trunk angle. Recognizing that abnormal location of the instantaneous axis of rotation correlated with spinal pain, these results suggest potential the location of the instantaneous axis of rotation relates to the risk of low back pain on distributed spinal kinematics.

  12. A theoretical analysis of flow through the nucleating stage in a low pressure steam turbine

    International Nuclear Information System (INIS)

    Skillings, S.A.; Walters, P.T.; Jackson, R.

    1989-01-01

    In order to improve steam turbine efficiency and reliability, the phenomena associated with the formation and growth of water droplets must be understood. This report describes a theoretical investigation into flow behaviour in the nucleating stage, where the predictions of a one-dimensional theory are compared with measured turbine data. Results indicate that droplet sizes predicted by homogeneous condensation theory cannot be reconciled with measurements unless fluctuating shock waves arise. Heterogeneous effects and flow turbulence are also discussed along with their implications for the condensation process. (author)

  13. 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

  14. Heterogeneous ice nucleation and phase transition of viscous α-pinene secondary organic aerosol

    Science.gov (United States)

    Ignatius, Karoliina; Kristensen, Thomas B.; Järvinen, Emma; Nichman, Leonid; Fuchs, Claudia; Gordon, Hamish; Herenz, Paul; Hoyle, Christopher R.; Duplissy, Jonathan; Baltensperger, Urs; Curtius, Joachim; Donahue, Neil M.; Gallagher, Martin W.; Kirkby, Jasper; Kulmala, Markku; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Virtanen, Annele; Stratmann, Frank

    2016-04-01

    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 deposition ice nucleation and thus influence cirrus cloud properties. Global model simulations of monoterpene SOA particles suggest that viscous biogenic SOA 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 (INP) budget. However, experimental ice nucleation studies of biogenic SOA are scarce. Here, we investigated the ice nucleation ability of viscous SOA particles at the CLOUD (Cosmics Leaving OUtdoor Droplets) experiment at CERN (Ignatius et al., 2015, Järvinen et al., 2015). In the CLOUD chamber, the SOA particles were produced from the ozone initiated oxidation of α-pinene at temperatures in the range from -38 to -10° C at 5-15 % relative humidity with respect to water (RHw) to ensure their formation in a highly viscous phase state, i.e. semi-solid or glassy. We found that particles formed and grown in the chamber developed an asymmetric shape through coagulation. As the RHw was increased to between 35 % at -10° C and 80 % at -38° C, a transition to spherical shape was observed with a new in-situ optical method. This transition confirms previous modelling of the viscosity transition conditions. The ice nucleation ability of SOA particles was investigated with a new continuous flow diffusion chamber SPIN (Spectrometer for Ice Nuclei) for different SOA particle sizes. For the first time, we observed heterogeneous ice nucleation of viscous α-pinene SOA in the deposition mode for ice saturation ratios between 1.3 and 1.4, significantly below the homogeneous freezing limit. The maximum frozen fractions found at temperatures between -36.5 and -38.3° C ranged from 6 to 20 % and did not depend on the particle surface area. References Ignatius, K. et al., Heterogeneous ice

  15. Automatic tea service machine with instantaneous cooling unit; Shunkan reikyaku kiko tosai jido kyuchaki

    Energy Technology Data Exchange (ETDEWEB)

    Sato, T.; Nishiyama, A. [Fuji Denki Reiki Co. Ltd., Tokyo (Japan)

    1999-08-10

    The market of automatic tea service machines demands sanitation, reduction in time required for pouring tea, feeding the material, cleaning the inside of the machine, the maintenance and service of the machine, and excellent design. To meet these demands, Fuji Electric has changed the former configuration and components for functions and has developed a new series of instantaneous automatic tea service machines based on a new concept. This paper outlines the advantages of the instantaneous cooling tank and improvements in handling. (author)

  16. Radiation induced homogeneous precipitation in undersaturated solid-solutions

    International Nuclear Information System (INIS)

    Cauvin, Richard; Martin, Georges.

    1978-01-01

    The stability of various types of solid solutions under irradiation is studied. In this paper, observations made on AlZn solid solutions under 1 MeV electron irradiation are reported. Al-Zn was chosen as a prototype of solid solutions with a simple miscibility gap. It is shown that under appropriate irradiation conditions undersaturated AnZn solid solutions give rise to a homogeneous precipitation of coherent G.P. zones and of incoherent Zn precipitates the atomic volume of which is smaller than that of the matrix. We propose a more general treatment of solute concentration heterogeneities in solid solutions under irradiation and suggest how it might account for the nucleation of the observed phases. The growth of the observed precipitates is studied

  17. Spontaneous compactification to homogeneous spaces

    International Nuclear Information System (INIS)

    Mourao, J.M.

    1988-01-01

    The spontaneous compactification of extra dimensions to compact homogeneous spaces is studied. The methods developed within the framework of coset space dimensional reduction scheme and the most general form of invariant metrics are used to find solutions of spontaneous compactification equations

  18. Sensitivity of ice-nucleating bacteria to ultraviolet irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Obata, Hitoshi; Tanahashi, Shinji; Kawahara, Hidehisa (Kansai Univ., Suita, Osaka (Japan). Faculty of Engineering)

    1992-01-01

    The effect of ultraviolet (UV) irradiation on the ice-nucleating activity of the ice-nucleating bacteria was examined. Bacterial suspension was irradiated with UV (254 nm, 6Wx2) for 5 min at a distance of 20 cm from UV source. Although no viable cells were detected, the ice-nucreating activity of the cells was not affected. Furthermore, after UV irradiation for 3 hr, the ice-nucleating activity of Pseudomonas fluorescens and P. syringae was only slightly decreased, although that of P. viridiflava and Erwinia herbicola was significantly lowered. We succeeded in killing the ice-nucleating bacteria, while retaining their ice-nucleating activity with UV irradiation. (author).

  19. Buckyball Nucleation of HiPco Tubes

    Science.gov (United States)

    Smalley, Richard E.

    2012-01-01

    The purpose of this innovation is to enhance nucleation of single-wall nanotubes (SWNTs) in the HiPco process, selectively producing 10,10 tubes, something which until now has not been thought possible. This is accomplished by injecting C60, or a derivative of C60, solubilized in supercritical CO2 together with a transition metal carboneal cocatalyst into the HiPco reactor. This is a variant on the supercritical disclosure. C60 has never been used to nucleate carbon nanotubes in the gas phase. C60 itself may not have adequate solubility in supercritical CO2. However, fluorinated C60, e.g., C60F36, is easy to make cheaply and should have much enhanced solubility.

  20. Bulk liquid undercooling and nucleation in nickel

    Energy Technology Data Exchange (ETDEWEB)

    Bokeloh, Joachim; Moros, Anna; Wilde, Gerhard [Institut fuer Materialphysik, Westfaelische Wilhelms-Universitaet Muenster (Germany)

    2010-07-01

    While classical nucleation theory is widely accepted textbook knowledge, it is somewhat lacking with regard to the atomistic details of the nucleation and growth mechanisms. Right now, there are many efforts in exploring these details with computational methods. However, only few experimental methods that can corroborate these results are available. The best known of these experimental methods are containerless processing in levitation melting and the investigation of fine droplet dispersions. We present here data on the liquid undercooling behaviour of Ni obtained by repeated melting and crystallization in a DTA. This method allows to acquire a statistically meaningful data set under clean and reproducible conditions, while still allowing reasonable sample sizes, thus combining several advantages of the two methods mentioned above. Ni was chosen as a model system because it shows good levels of undercooling and because it is well suited for computer simulations due to its relatively low number of electrons.

  1. 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

  2. The emergence of modern nucleation theory

    International Nuclear Information System (INIS)

    Cahn, J.W.

    1987-01-01

    A series of important papers by David Turnbull and his collaborators in the late 1940's and early 1950's laid the experimental and theoretical foundation of modern nucleation theory. The elegance, versatility, and generality of the phenomenological approach, coupled with brilliant and insightful experimental confirmation, sparked widespread application which continues today. Much of David Turnbull's subsequent work in other subjects grew directly or indirectly from this work

  3. Nucleation of (4)R brane universes

    International Nuclear Information System (INIS)

    Cordero, Ruben; Rojas, EfraIn

    2004-01-01

    The creation of brane universes induced by a totally antisymmetric tensor living in a fixed background spacetime is presented, where a term involving the intrinsic curvature of the brane is considered. A canonical quantum mechanical approach employing the Wheeler-DeWitt equation is used. The probability nucleation for the brane is calculated by means of the corresponding instanton and the WKB approximation. Some cosmological implications from the model are presented

  4. Nucleation of {sup (4)}R brane universes

    Energy Technology Data Exchange (ETDEWEB)

    Cordero, Ruben [Departamento de FIsica, Escuela Superior de FIsica y Matematicas del IPN, Unidad Adolfo Lopez Mateos, Edificio 9, 07738 Mexico, DF (Mexico); Rojas, EfraIn [Facultad de FIsica e Inteligencia Artificial, Universidad Veracruzana, Sebastian Camacho 5, Xalapa, Veracruz, 91000 (Mexico)

    2004-09-07

    The creation of brane universes induced by a totally antisymmetric tensor living in a fixed background spacetime is presented, where a term involving the intrinsic curvature of the brane is considered. A canonical quantum mechanical approach employing the Wheeler-DeWitt equation is used. The probability nucleation for the brane is calculated by means of the corresponding instanton and the WKB approximation. Some cosmological implications from the model are presented.

  5. Molecular-dynamics simulations of urea nucleation from aqueous solution.

    Science.gov (United States)

    Salvalaglio, Matteo; Perego, Claudio; Giberti, Federico; Mazzotti, Marco; Parrinello, Michele

    2015-01-06

    Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tempered metadynamics, we compute the free-energy change associated to the phase transition. We find that such a free-energy profile is characterized by significant finite-size effects that can, however, be accounted for. The description of the nucleation process emerging from our analysis differs from classical nucleation theory. Nucleation of crystal-like clusters is in fact preceded by large concentration fluctuations, indicating a predominant two-step process, whereby embryonic crystal nuclei emerge from dense, disordered urea clusters. Furthermore, in the early stages of nucleation, two different polymorphs are seen to compete.

  6. Molecular-dynamics simulations of urea nucleation from aqueous solution

    Science.gov (United States)

    Salvalaglio, Matteo; Perego, Claudio; Giberti, Federico; Mazzotti, Marco; Parrinello, Michele

    2015-01-01

    Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tempered metadynamics, we compute the free-energy change associated to the phase transition. We find that such a free-energy profile is characterized by significant finite-size effects that can, however, be accounted for. The description of the nucleation process emerging from our analysis differs from classical nucleation theory. Nucleation of crystal-like clusters is in fact preceded by large concentration fluctuations, indicating a predominant two-step process, whereby embryonic crystal nuclei emerge from dense, disordered urea clusters. Furthermore, in the early stages of nucleation, two different polymorphs are seen to compete. PMID:25492932

  7. Structural Basis of Actin Filament Nucleation by Tandem W Domains

    Science.gov (United States)

    Chen, Xiaorui; Ni, Fengyun; Tian, Xia; Kondrashkina, Elena; Wang, Qinghua; Ma, Jianpeng

    2013-01-01

    SUMMARY Spontaneous nucleation of actin is very inefficient in cells. To overcome this barrier, cells have evolved a set of actin filament nucleators to promote rapid nucleation and polymerization in response to specific stimuli. However, the molecular mechanism of actin nucleation remains poorly understood. This is hindered largely by the fact that actin nucleus, once formed, rapidly polymerizes into filament, thus making it impossible to capture stable multisubunit actin nucleus. Here, we report an effective double-mutant strategy to stabilize actin nucleus by preventing further polymerization. Employing this strategy, we solved the crystal structure of AMPPNP-actin in complex with the first two tandem W domains of Cordon-bleu (Cobl), a potent actin filament nucleator. Further sequence comparison and functional studies suggest that the nucleation mechanism of Cobl is probably shared by the p53 cofactor JMY, but not Spire. Moreover, the double-mutant strategy opens the way for atomic mechanistic study of actin nucleation and polymerization. PMID:23727244

  8. 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.

  9. Systematic coarse-graining in nucleation theory

    Science.gov (United States)

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

    2015-08-01

    In this work, we show that the standard method to obtain nucleation rate-predictions with the aid of atomistic Monte Carlo simulations leads to nucleation rate predictions that deviate 3 - 5 orders of magnitude from the recent brute-force molecular dynamics simulations [Diemand et al., J. Chem. Phys. 139, 074309 (2013)] conducted in the experimental accessible supersaturation regime for Lennard-Jones argon. We argue that this is due to the truncated state space the literature mostly relies on, where the number of atoms in a nucleus is considered the only relevant order parameter. We here formulate the nonequilibrium statistical mechanics of nucleation in an extended state space, where the internal energy and momentum of the nuclei are additionally incorporated. We show that the extended model explains the lack in agreement between the molecular dynamics simulations by Diemand et al. and the truncated state space. We demonstrate additional benefits of using the extended state space; in particular, the definition of a nucleus temperature arises very naturally and can be shown without further approximation to obey the fluctuation law of McGraw and LaViolette. In addition, we illustrate that our theory conveniently allows to extend existing theories to richer sets of order parameters.

  10. Electro-magnetostatic homogenization of bianisotropic metamaterials

    OpenAIRE

    Fietz, Chris

    2012-01-01

    We apply the method of asymptotic homogenization to metamaterials with microscopically bianisotropic inclusions to calculate a full set of constitutive parameters in the long wavelength limit. Two different implementations of electromagnetic asymptotic homogenization are presented. We test the homogenization procedure on two different metamaterial examples. Finally, the analytical solution for long wavelength homogenization of a one dimensional metamaterial with microscopically bi-isotropic i...

  11. Observational homogeneity of the Universe

    International Nuclear Information System (INIS)

    Bonnor, W.B.; Ellis, G.F.R.

    1986-01-01

    A new approach to observational homogeneity is presented. The observation that stars and galaxies in distant regions appear similar to those nearby may be taken to imply that matter has had a similar thermodynamic history in widely separated parts of the Universe (the Postulate of Uniform Thermal Histories, or PUTH). The supposition is now made that similar thermodynamic histories imply similar dynamical histories. Then the distant apparent similarity is evidence for spatial homogeneity of the Universe. General Relativity is used to test this idea, taking a perfect fluid model and implementing PUTH by the condition that the density and entropy per baryon shall be the same function of the proper time along all galaxy world-lines. (author)

  12. The nucleation process and the roles of structure and density fluctuations in supercooled liquid Fe

    International Nuclear Information System (INIS)

    Li, Rong; Wu, Yongquan; Xiao, Junjiang

    2014-01-01

    We observed homogeneous nucleation process of supercooled liquid Fe by molecular dynamics simulations. Using bond-orientational order parameters together with Voronoi polyhedron method, we characterized local structure, calculated the volume of Voronoi polyhedra of atoms and identified the structure and density fluctuations. We monitored the formation of nucleus and analyzed its inner structure. The birth and growth of the pre-nucleus and nucleus are accompanied with aggregating and disaggregating processes in the time scale of femtosecond. Only the initial solid-like clusters (ISLC), ranging from 1 to 7 atoms, pop up directly from liquid. The relation between the logarithm of number of clusters and the cluster size was found to be linear for ISLCs and was observed to be parabolic for all solid-like clusters (SLC) due to aggregating and disaggregating effects. The nucleus and pre-nuclei mainly consist of body centered cubic (BCC) and hexagonal close packed atoms, while the BCC atoms tend to be located at the surface. Medium-range structure fluctuations induce the birth of ISLCs, benefit the aggregation of embryos and remarkably promote the nucleation. But density fluctuations contribute little to nucleation. The lifetime of most icosahedral-like atoms (ICO) is shorter than 0.7 ps. No obvious relationship was found between structure/density fluctuations and the appearance of ICO atoms

  13. 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

  14. Efficiency of the deposition mode ice nucleation on mineral dust particles

    Directory of Open Access Journals (Sweden)

    O. Möhler

    2006-01-01

    Full Text Available The deposition mode ice nucleation efficiency of various dust aerosols was investigated at cirrus cloud temperatures between 196 and 223 K using the aerosol and cloud chamber facility AIDA (Aerosol Interaction and Dynamics in the Atmosphere. Arizona test dust (ATD as a reference material and two dust samples from the Takla Makan desert in Asia (AD1 and the Sahara (SD2 were used for the experiments at simulated cloud conditions. The dust particle sizes were almost lognormally distributed with mode diameters between 0.3 and 0.5 μm and geometric standard deviations between 1.6 and 1.9. Deposition ice nucleation was most efficient on ATD particles with ice-active particle fractions of about 0.6 and 0.8 at an ice saturation ratio SiSiSi. This indicates that deposition ice nucleation on mineral particles may not be treated in the same stochastic sense as homogeneous freezing. The suggested formulation of ice activation spectra may be used to calculate the formation rate of ice crystals in models, if the number concentration of dust particles is known. More experimental work is needed to quantify the variability of the ice activation spectra as function of the temperature and dust particle properties.

  15. Nucleation of diindenoperylene and pentacene at thermal and hyperthermal incident kinetic energies

    Energy Technology Data Exchange (ETDEWEB)

    Kish, Edward R.; Desai, Tushar V.; Greer, Douglas R.; Engstrom, James R., E-mail: jre7@cornell.edu [School of Chemical and Biomolecular Engineering, Cornell University, Ithaca, New York 14853 (United States); Woll, Arthur R. [Cornell High Energy Synchrotron Source, Cornell University, Ithaca, New York 14853 (United States)

    2015-05-15

    The authors have examined the nucleation of diindenoperylene (DIP) on SiO{sub 2} employing primarily atomic force microscopy and focusing on the effect of incident kinetic energy employing both thermal and supersonic sources. For all incident kinetic energies examined (E{sub i} = 0.09–11.3 eV), the nucleation of DIP is homogeneous and the dependence of the maximum island density on the growth rate is described by a power law. A critical nucleus of approximately two molecules is implicated by our data. A re-examination of the nucleation of pentacene on SiO{sub 2} gives the same major result that the maximum island density is determined by the growth rate, and it is independent of the incident kinetic energy. These observations are readily understood by factoring in the size of the critical nucleus in each case, and the island density, which indicates that diffusive transport of molecules to the growing islands dominate the dynamics of growth in the submonolayer regime.

  16. Cross-correlation of instantaneous phase increments in pressure-flow fluctuations: Applications to cerebral autoregulation

    Science.gov (United States)

    Chen, Zhi; Hu, Kun; Stanley, H. Eugene; Novak, Vera; Ivanov, Plamen Ch.

    2006-03-01

    We investigate the relationship between the blood flow velocities (BFV) in the middle cerebral arteries and beat-to-beat blood pressure (BP) recorded from a finger in healthy and post-stroke subjects during the quasisteady state after perturbation for four different physiologic conditions: supine rest, head-up tilt, hyperventilation, and CO2 rebreathing in upright position. To evaluate whether instantaneous BP changes in the steady state are coupled with instantaneous changes in the BFV, we compare dynamical patterns in the instantaneous phases of these signals, obtained from the Hilbert transform, as a function of time. We find that in post-stroke subjects the instantaneous phase increments of BP and BFV exhibit well-pronounced patterns that remain stable in time for all four physiologic conditions, while in healthy subjects these patterns are different, less pronounced, and more variable. We propose an approach based on the cross-correlation of the instantaneous phase increments to quantify the coupling between BP and BFV signals. We find that the maximum correlation strength is different for the two groups and for the different conditions. For healthy subjects the amplitude of the cross-correlation between the instantaneous phase increments of BP and BFV is small and attenuates within 3-5 heartbeats. In contrast, for post-stroke subjects, this amplitude is significantly larger and cross-correlations persist up to 20 heartbeats. Further, we show that the instantaneous phase increments of BP and BFV are cross-correlated even within a single heartbeat cycle. We compare the results of our approach with three complementary methods: direct BP-BFV cross-correlation, transfer function analysis, and phase synchronization analysis. Our findings provide insight into the mechanism of cerebral vascular control in healthy subjects, suggesting that this control mechanism may involve rapid adjustments (within a heartbeat) of the cerebral vessels, so that BFV remains steady in

  17. Conclusions about homogeneity and devitrification

    International Nuclear Information System (INIS)

    Larche, F.

    1997-01-01

    A lot of experimental data concerning homogeneity and devitrification of R7T7 glass have been published. It appears that: - the crystallization process is very limited, - the interfaces due to bubbles and the container wall favor crystallization locally but the ratio of crystallized volume remains always below a few per cents, and - crystallization has no damaging long-term effects as far as leaching tests can be trusted. (A.C.)

  18. Is charity a homogeneous good?

    OpenAIRE

    Backus, Peter

    2010-01-01

    In this paper I estimate income and price elasticities of donations to six different charitable causes to test the assumption that charity is a homogeneous good. In the US, charitable donations can be deducted from taxable income. This has long been recognized as producing a price, or taxprice, of giving equal to one minus the marginal tax rate faced by the donor. A substantial portion of the economic literature on giving has focused on estimating price and income elasticities of giving as th...

  19. 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

  20. Recent progress on understanding the mechanisms of amyloid nucleation.

    Science.gov (United States)

    Chatani, Eri; Yamamoto, Naoki

    2018-04-01

    Amyloid fibrils are supramolecular protein assemblies with a fibrous morphology and cross-β structure. The formation of amyloid fibrils typically follows a nucleation-dependent polymerization mechanism, in which a one-step nucleation scheme has widely been accepted. However, a variety of oligomers have been identified in early stages of fibrillation, and a nucleated conformational conversion (NCC) mechanism, in which oligomers serve as a precursor of amyloid nucleation and convert to amyloid nuclei, has been proposed. This development has raised the need to consider more complicated multi-step nucleation processes in addition to the simplest one-step process, and evidence for the direct involvement of oligomers as nucleation precursors has been obtained both experimentally and theoretically. Interestingly, the NCC mechanism has some analogy with the two-step nucleation mechanism proposed for inorganic and organic crystals and protein crystals, although a more dramatic conformational conversion of proteins should be considered in amyloid nucleation. Clarifying the properties of the nucleation precursors of amyloid fibrils in detail, in comparison with those of crystals, will allow a better understanding of the nucleation of amyloid fibrils and pave the way to develop techniques to regulate it.

  1. A review of phosphate mineral nucleation in biology and geobiology.

    Science.gov (United States)

    Omelon, Sidney; Ariganello, Marianne; Bonucci, Ermanno; Grynpas, Marc; Nanci, Antonio

    2013-10-01

    Relationships between geological phosphorite deposition and biological apatite nucleation have often been overlooked. However, similarities in biological apatite and phosphorite mineralogy suggest that their chemical formation mechanisms may be similar. This review serves to draw parallels between two newly described phosphorite mineralization processes, and proposes a similar novel mechanism for biologically controlled apatite mineral nucleation. This mechanism integrates polyphosphate biochemistry with crystal nucleation theory. Recently, the roles of polyphosphates in the nucleation of marine phosphorites were discovered. Marine bacteria and diatoms have been shown to store and concentrate inorganic phosphate (Pi) as amorphous, polyphosphate granules. Subsequent release of these P reserves into the local marine environment as Pi results in biologically induced phosphorite nucleation. Pi storage and release through an intracellular polyphosphate intermediate may also occur in mineralizing oral bacteria. Polyphosphates may be associated with biologically controlled apatite nucleation within vertebrates and invertebrates. Historically, biological apatite nucleation has been attributed to either a biochemical increase in local Pi concentration or matrix-mediated apatite nucleation control. This review proposes a mechanism that integrates both theories. Intracellular and extracellular amorphous granules, rich in both calcium and phosphorus, have been observed in apatite-biomineralizing vertebrates, protists, and atremate brachiopods. These granules may represent stores of calcium-polyphosphate. Not unlike phosphorite nucleation by bacteria and diatoms, polyphosphate depolymerization to Pi would be controlled by phosphatase activity. Enzymatic polyphosphate depolymerization would increase apatite saturation to the level required for mineral nucleation, while matrix proteins would simultaneously control the progression of new biological apatite formation.

  2. Effect of microstructure on the nucleation and initiation of adiabatic shear bands (ASBs) during impact

    Energy Technology Data Exchange (ETDEWEB)

    Boakye Yiadom, Solomon, E-mail: boakyeys@cc.umanitoba.ca; Khaliq Khan, Abdul, E-mail: abdulkhaliq.khan@umanitoba.ca; Bassim, Nabil, E-mail: nabil.bassim@ad.umanitoba.ca

    2014-10-06

    While instability may occur homogenously during plastic deformation, the formation of adiabatic shear band (ASBs) does not follow a homogenous instability during impact. Geometrical stress concentration sites and/or microstructural inhomogeneities result in the nucleation and initiation of shear strain localization. In this study, initial microstructural inhomogeneity was found to produce nucleation sites for the initiation of ASBs. It was observed that double misfit interfaces and boundary layers with random arrangement of atomic columns are formed around precipitated carbides and they increase the volume fraction of dislocation sources within the specimens. The AISI 4340 steel specimens which were tempered at the lowest temperature had smaller precipitated carbides with high aspect ratios densely distributed within the matrix and were easily susceptible to the formation of ASBs. As the tempering temperature increased, the relative sizes of the carbides increased with a corresponding reduction in their aspect ratios and their distribution density within the matrix and thus were more resistant to the formation of ASBs. In this study, it is demonstrated that the intersection of an activated dislocation source with the direction of maximum shear (regions of stress concentrations) within the specimens during impact, is a necessary condition for the point of intersection to act as a possible site for the nucleation of ASBs, depending on the rate of dislocation generation, local strain and strain rate. At a constant carbide volume fraction, the higher susceptibility of the tempered specimens to the initiation of ASBs is attributed to the volume fraction of the points of intersection between activated dislocation sources and direction of maximum shear during impact. Additionally, the smaller carbides, with their higher aspect ratios and distribution densities, accentuate the effect of strain gradients and the microstructural inhomogeneities associated with the tempered

  3. Viral lysis of photosynthesizing microbes as a mechanism for calcium carbonate nucleation in seawater

    Science.gov (United States)

    Lisle, John T.; Robbins, Lisa L.

    2016-01-01

    Removal of carbon through the precipitation and burial of calcium carbonate in marine sediments constitutes over 70% of the total carbon on Earth and is partitioned between coastal and pelagic zones. The precipitation of authigenic calcium carbonate in seawater, however, has been hotly debated because despite being in a supersaturated state, there is an absence of persistent precipitation. One of the explanations for this paradox is the geochemical conditions in seawater cannot overcome the activation energy barrier for the first step in any precipitation reaction; nucleation. Here we show that virally induced rupturing of photosynthetic cyanobacterial cells releases cytoplasmic-associated bicarbonate at concentrations ~23-fold greater than in the surrounding seawater, thereby shifting the carbonate chemistry toward the homogenous nucleation of one or more of the calcium carbonate polymorphs. Using geochemical reaction energetics, we show the saturation states (Ω) in typical seawater for calcite (Ω = 4.3), aragonite (Ω = 3.1), and vaterite (Ω = 1.2) are significantly elevated following the release and diffusion of the cytoplasmic bicarbonate (Ωcalcite = 95.7; Ωaragonite = 68.5; Ωvaterite = 25.9). These increases in Ω significantly reduce the activation energy for nuclei formation thresholds for all three polymorphs, but only vaterite nucleation is energetically favored. In the post-lysis seawater, vaterite's nuclei formation activation energy is significantly reduced from 1.85 × 10−17 J to 3.85 × 10−20 J, which increases the nuclei formation rate from highly improbable (nucleation of calcium carbonate in seawater describes a mechanism through which the initial step in the production of carbonate sediments may proceed. It also presents an additional role of photosynthesizing microbes and their viruses in marine carbon cycles and reveals these microorganisms are a collective repository for concentrated and reactive dissolved inorganic carbon (DIC

  4. Identification & Characterization of Fungal Ice Nucleation Proteins

    Science.gov (United States)

    Scheel, Jan Frederik; Kunert, Anna Theresa; Kampf, Christopher Johannes; Mauri, Sergio; Weidner, Tobias; Pöschl, Ulrich; Fröhlich-Nowoisky, Janine

    2016-04-01

    Freezing of water at relatively warm subfreezing temperatures is dependent on ice nucleation catalysis facilitated by ice nuclei (IN). These IN can be of various origins and although extensive research was done and progress was achieved, the nature and mechanisms leading to an effective IN are to date still poorly understood. Some of the most important processes of our geosphere like the water cycle are highly dependent on effective ice nucleation at temperatures between -2°C - -8°C, a temperature range which is almost exclusively covered by biological IN (BioIN). BioIN are usually macromolecular structures of biological polymers. Sugars as well as proteins have been reported to serve as IN and the best characterized BioIN are ice nucleation proteins (IN-P) from gram negative bacteria. Fungal strains from Fusarium spp. were described to be effective IN at subfreezing temperatures up to -2°C already 25 years ago and more and more fungal species are described to serve as efficient IN. Fungal IN are also thought to be proteins or at least contain a proteinaceous compound, but to date the fungal IN-P primary structure as well as their coding genetic elements of all IN active fungi are unknown. The aim of this study is a.) to identify the proteins and their coding genetic elements from IN active fungi (F. acuminatum, F. avenaceum, M. alpina) and b.) to characterize the mechanisms by which fungal IN serve as effective IN. We designed an interdisciplinary approach using biological, analytical and physical methods to identify fungal IN-P and describe their biological, chemical, and physical properties.

  5. Nucleation/Growth Mechanisms and Morphological Evolution of Porous MnO2 Coating Deposited on Graphite for Supercapacitor

    Directory of Open Access Journals (Sweden)

    Wenxin Huang

    2017-10-01

    Full Text Available The nucleation and growth mechanisms of porous MnO2 coating deposited on graphite in MnSO4 solution were investigated in detail by cyclic voltammetry, chronoamperometry and scanning electron microscopy. The electrochemical properties of honeycomb-like MnO2 were evaluated by cycle voltammetry and galvanostatic charge-discharge. Results indicated that MnO2 was synthesized by the following steps: Mn2+→ Mn3++ e-, Mn3++2H2O → MnOOH + 3H+, and MnOOH → MnO2 + H++ e-. The deposition of MnO2 was divided into four stages. A short incubation period (approximately 1.5 s was observed, prior to nucleation. The decreasing trend of the current slowed as time increased due to nucleation and MnO2 growth in the second stage. A huge number of nuclei were formed by instantaneous nucleation, and these nuclei grew and connected with one another at an exceedingly short time (0.5 s. In the third stage, the gaps in-between initial graphite flakes were filled with MnO2 until the morphology of the flakes gradually became similar to that of the MnO2-deposited layer. In the fourth stage, the graphite electrode was covered completely with a thick and dense layer of MnO2 deposits. All MnO2 electrodes at different deposition times obtained nearly the same specific capacitance of approximately 186 F/g, thus indicating that the specific capacitance of the electrodes is not related with deposition time.

  6. Aerosol nucleation induced by a high energy particle beam

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker; Pedersen, Jens Olaf Pepke; Uggerhøj, Ulrik I.

    The effect of ions in aerosol nucleation is a subject where much remains to be discovered. That ions can enhance nucleation has been shown by theory, observations, and experiments. However, the exact mechanism still remains to be determined. One question is if the nature of the ionization affects...... the nucleation. This is an essential question since many experiments have been performed using radioactive sources that ionize differently than the cosmic rays which are responsible for the majority of atmospheric ionization. Here we report on an experimental study of sulphuric acid aerosol nucleation under near...... atmospheric conditions using a 580 MeV electron beam to ionize the volume of the reaction chamber. We find a clear and significant contribution from ion induced nucleation and consider this to be an unambiguous observation of the ion-effect on aerosol nucleation using a particle beam under conditions not far...

  7. Experimental investigation of the role of ions in aerosol nucleation

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker

    The role of ions in producing aerosols in Earth’s atmosphere is an area of very active research. Atmospheric and experimental observations have shown that the nucleation of aerosol particles can occur under conditions that cannot be explained by classical nucleation theory. Several ideas have been...... put forward to solve this nucleation problem, e.g. Ion-Induced Nucleation and Ternary Nucleation. Experimental investigations exploring the role of ions in particle production are scarce, and often at conditions far removed from those relevant for the lower part of the atmosphere. Recent experimental...... were grown using photochemically produced sulphuric acid and ionization levels were controlled with a Cs-137 gamma-source. An increase in nucleation was observed when the chamber was exposed to the radioactive source. The results were analyzed using a model based on the General Dynamic Equation...

  8. A nucleator arms race: cellular control of actin assembly.

    Science.gov (United States)

    Campellone, Kenneth G; Welch, Matthew D

    2010-04-01

    For over a decade, the actin-related protein 2/3 (ARP2/3) complex, a handful of nucleation-promoting factors and formins were the only molecules known to directly nucleate actin filament formation de novo. However, the past several years have seen a surge in the discovery of mammalian proteins with roles in actin nucleation and dynamics. Newly recognized nucleation-promoting factors, such as WASP and SCAR homologue (WASH), WASP homologue associated with actin, membranes and microtubules (WHAMM), and junction-mediating regulatory protein (JMY), stimulate ARP2/3 activity at distinct cellular locations. Formin nucleators with additional biochemical and cellular activities have also been uncovered. Finally, the Spire, cordon-bleu and leiomodin nucleators have revealed new ways of overcoming the kinetic barriers to actin polymerization.

  9. 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

  10. Instantaneous local wave vector estimation from multi-spacecraft measurements using few spatial points

    Directory of Open Access Journals (Sweden)

    T. D. Carozzi

    2004-07-01

    Full Text Available We introduce a technique to determine instantaneous local properties of waves based on discrete-time sampled, real-valued measurements from 4 or more spatial points. The technique is a generalisation to the spatial domain of the notion of instantaneous frequency used in signal processing. The quantities derived by our technique are closely related to those used in geometrical optics, namely the local wave vector and instantaneous phase velocity. Thus, this experimental technique complements ray-tracing. We provide example applications of the technique to electric field and potential data from the EFW instrument on Cluster. Cluster is the first space mission for which direct determination of the full 3-dimensional local wave vector is possible, as described here.

  11. Navier-Stokes-Voigt Equations with Memory in 3D Lacking Instantaneous Kinematic Viscosity

    Science.gov (United States)

    Di Plinio, Francesco; Giorgini, Andrea; Pata, Vittorino; Temam, Roger

    2018-04-01

    We consider a Navier-Stokes-Voigt fluid model where the instantaneous kinematic viscosity has been completely replaced by a memory term incorporating hereditary effects, in presence of Ekman damping. Unlike the classical Navier-Stokes-Voigt system, the energy balance involves the spatial gradient of the past history of the velocity rather than providing an instantaneous control on the high modes. In spite of this difficulty, we show that our system is dissipative in the dynamical systems sense and even possesses regular global and exponential attractors of finite fractal dimension. Such features of asymptotic well-posedness in absence of instantaneous high modes dissipation appear to be unique within the realm of dynamical systems arising from fluid models.

  12. Physical applications of homogeneous balls

    CERN Document Server

    Scarr, Tzvi

    2005-01-01

    One of the mathematical challenges of modern physics lies in the development of new tools to efficiently describe different branches of physics within one mathematical framework. This text introduces precisely such a broad mathematical model, one that gives a clear geometric expression of the symmetry of physical laws and is entirely determined by that symmetry. The first three chapters discuss the occurrence of bounded symmetric domains (BSDs) or homogeneous balls and their algebraic structure in physics. The book further provides a discussion of how to obtain a triple algebraic structure ass

  13. Heterotic strings on homogeneous spaces

    International Nuclear Information System (INIS)

    Israel, D.; Kounnas, C.; Orlando, D.; Petropoulos, P.M.

    2005-01-01

    We construct heterotic string backgrounds corresponding to families of homogeneous spaces as exact conformal field theories. They contain left cosets of compact groups by their maximal tori supported by NS-NS 2-forms and gauge field fluxes. We give the general formalism and modular-invariant partition functions, then we consider some examples such as SU(2)/U(1)∝S 2 (already described in a previous paper) and the SU(3)/U(1) 2 flag space. As an application we construct new supersymmetric string vacua with magnetic fluxes and a linear dilaton. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

  14. Nucleation and growth of voids by radiation. Pt. 2

    International Nuclear Information System (INIS)

    Mayer, R.M.; Brown, L.M.

    1980-01-01

    The original model of Brown, Kelly and Mayer [1] for the nucleation of interstitial loops has been extended to take into account the following: (i) mobility of the vacancies, (ii) generation and migration of gas atoms during irradiation, (iii) nucleation and growth of voids, and (iv) vacancy emission from voids and clusters at high temperatures. Using chemicalrate equations, additional expressions are formulated for the nucleation and growth of vacancy loops and voids. (orig.)

  15. Overestimating fish counts by non-instantaneous visual censuses: consequences for population and community descriptions.

    Directory of Open Access Journals (Sweden)

    Christine Ward-Paige

    Full Text Available BACKGROUND: Increasingly, underwater visual censuses (UVC are used to assess fish populations. Several studies have demonstrated the effectiveness of protected areas for increasing fish abundance or provided insight into the natural abundance and structure of reef fish communities in remote areas. Recently, high apex predator densities (>100,000 individuals x km(-2 and biomasses (>4 tonnes x ha(-1 have been reported for some remote islands suggesting the occurrence of inverted trophic biomass pyramids. However, few studies have critically evaluated the methods used for sampling conspicuous and highly mobile fish such as sharks. Ideally, UVC are done instantaneously, however, researchers often count animals that enter the survey area after the survey has started, thus performing non-instantaneous UVC. METHODOLOGY/PRINCIPAL FINDINGS: We developed a simulation model to evaluate counts obtained by divers deploying non-instantaneous belt-transect and stationary-point-count techniques. We assessed how fish speed and survey procedure (visibility, diver speed, survey time and dimensions affect observed fish counts. Results indicate that the bias caused by fish speed alone is huge, while survey procedures had varying effects. Because the fastest fishes tend to be the largest, the bias would have significant implications on their biomass contribution. Therefore, caution is needed when describing abundance, biomass, and community structure based on non-instantaneous UVC, especially for highly mobile species such as sharks. CONCLUSIONS/SIGNIFICANCE: Based on our results, we urge that published literature state explicitly whether instantaneous counts were made and that survey procedures be accounted for when non-instantaneous counts are used. Using published density and biomass values of communities that include sharks we explore the effect of this bias and suggest that further investigation may be needed to determine pristine shark abundances and the

  16. Extended causal modeling to assess Partial Directed Coherence in multiple time series with significant instantaneous interactions.

    Science.gov (United States)

    Faes, Luca; Nollo, Giandomenico

    2010-11-01

    The Partial Directed Coherence (PDC) and its generalized formulation (gPDC) are popular tools for investigating, in the frequency domain, the concept of Granger causality among multivariate (MV) time series. PDC and gPDC are formalized in terms of the coefficients of an MV autoregressive (MVAR) model which describes only the lagged effects among the time series and forsakes instantaneous effects. However, instantaneous effects are known to affect linear parametric modeling, and are likely to occur in experimental time series. In this study, we investigate the impact on the assessment of frequency domain causality of excluding instantaneous effects from the model underlying PDC evaluation. Moreover, we propose the utilization of an extended MVAR model including both instantaneous and lagged effects. This model is used to assess PDC either in accordance with the definition of Granger causality when considering only lagged effects (iPDC), or with an extended form of causality, when we consider both instantaneous and lagged effects (ePDC). The approach is first evaluated on three theoretical examples of MVAR processes, which show that the presence of instantaneous correlations may produce misleading profiles of PDC and gPDC, while ePDC and iPDC derived from the extended model provide here a correct interpretation of extended and lagged causality. It is then applied to representative examples of cardiorespiratory and EEG MV time series. They suggest that ePDC and iPDC are better interpretable than PDC and gPDC in terms of the known cardiovascular and neural physiologies.

  17. Revealing the Formation of Copper Nanoparticles from a Homogeneous Solid Precursor by Electron Microscopy

    DEFF Research Database (Denmark)

    van den Berg, Roy; Elkjær, Christian Fink; Gommes, Cedric J.

    2016-01-01

    The understanding of processes leading to the formation of nanometer-sized particles is important for tailoring of their size, shape and location. The growth mechanisms and kinetics of nanoparticles from solid precursors are, however, often poorly described. Here we employ transmission electron...... microscopy (TEM) to examine the formation of copper nanoparticles on a silica support during the reduction by H2 of homogeneous copper phyllosilicate platelets, as a prototype precursor for a coprecipitated catalyst. Specifically, time-lapsed TEM image series acquired of the material during the reduction...... process provide a direct visualization of the growth dynamics of an ensemble of individual nanoparticles and enable a quantitative evaluation of the nucleation and growth of the nanoparticles. This quantitative information is compared with kinetic models and found to be best described by a nucleation...

  18. Aerosol nucleation in an ultra-low ion density environment

    DEFF Research Database (Denmark)

    Pedersen, Jens Olaf Pepke; Enghoff, Martin Andreas Bødker; Paling, Sean M.

    2012-01-01

    Ion-induced nucleation has been studied in a deep underground ultra-low background radiation environment where the role of ions can be distinguished from alternative neutral aerosol nucleation mechanisms. Our results demonstrate that ions have a significant effect on the production of small...... sulfuric acid–water clusters over a range of sulfuric acid concentrations although neutral nucleation mechanisms remain evident at low ionization levels. The effect of ions is found both to enhance the nucleation rate of stable clusters and the initial growth rate. The effects of possible contaminations...

  19. Nucleation in As2Se3 glass studied by DSC

    International Nuclear Information System (INIS)

    Svoboda, Roman; Málek, Jiří

    2014-01-01

    Highlights: • Nucleation behavior of As 2 Se 3 glass was studied by DSC in dependence on particle size. • Correlation between the enthalpies of fusion and crystallization were confirmed. • Apart from classical heterogeneous nucleation a second nucleation mechanism was found. • Rapid formation of crystallization centers from a damaged glassy structure occurs. • Mechanical defects seem to partially suppress the CNT nucleation process. - Abstract: Differential scanning calorimetry was used to study nucleation behavior in As 2 Se 3 glass, dependent on particle size. The nucleation process was examined for a series of different coarse powders; the nucleation rate was estimated from the proportion of the crystalline material fraction. The enthalpy of fusion was utilized in this respect, and a correlation between ΔH m and ΔH c was confirmed. Two mechanisms of nucleus formation were found: classical heterogeneous nucleation (following CNT) and so-called “activation” of mechanically-induced defects. The latter appears to represent rapid formation of crystallization centers from a damaged glassy structure, where complete saturation occurs for fine powders in the range of 195–235 °C. A high amount of mechanical defects, on the other hand, was found to partially suppress the CNT nucleation process

  20. 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.

  1. Fatigue crack nucleation of type 316LN stainless steel

    International Nuclear Information System (INIS)

    Kim, Dae Whan; Kim, Woo Gon; Hong, Jun Hwa; Ryu, Woo Seog

    2000-01-01

    Low Cycle Fatigue (LCF) life decreases drastically with increasing temperature but increases with the addition of nitrogen at room and high temperatures. The effect of nitrogen on LCF life may be related to crack nucleation at high temperatures in austenitic stainless steel because the fraction of crack nucleation in LCF life is about 40%. The influence of nitrogen on the crack nucleation of LCF in type 316LN stainless steel is investigated by observations of crack population and crack depth after testing at 40% of fatigue life. Nitrogen increases the number of cycles to nucleate microcracks of 100 μm but decreases the crack population

  2. Homogenization scheme for acoustic metamaterials

    KAUST Repository

    Yang, Min

    2014-02-26

    We present a homogenization scheme for acoustic metamaterials that is based on reproducing the lowest orders of scattering amplitudes from a finite volume of metamaterials. This approach is noted to differ significantly from that of coherent potential approximation, which is based on adjusting the effective-medium parameters to minimize scatterings in the long-wavelength limit. With the aid of metamaterials’ eigenstates, the effective parameters, such as mass density and elastic modulus can be obtained by matching the surface responses of a metamaterial\\'s structural unit cell with a piece of homogenized material. From the Green\\'s theorem applied to the exterior domain problem, matching the surface responses is noted to be the same as reproducing the scattering amplitudes. We verify our scheme by applying it to three different examples: a layered lattice, a two-dimensional hexagonal lattice, and a decorated-membrane system. It is shown that the predicted characteristics and wave fields agree almost exactly with numerical simulations and experiments and the scheme\\'s validity is constrained by the number of dominant surface multipoles instead of the usual long-wavelength assumption. In particular, the validity extends to the full band in one dimension and to regimes near the boundaries of the Brillouin zone in two dimensions.

  3. ISOTOPE METHODS IN HOMOGENEOUS CATALYSIS.

    Energy Technology Data Exchange (ETDEWEB)

    BULLOCK,R.M.; BENDER,B.R.

    2000-12-01

    The use of isotope labels has had a fundamentally important role in the determination of mechanisms of homogeneously catalyzed reactions. Mechanistic data is valuable since it can assist in the design and rational improvement of homogeneous catalysts. There are several ways to use isotopes in mechanistic chemistry. Isotopes can be introduced into controlled experiments and followed where they go or don't go; in this way, Libby, Calvin, Taube and others used isotopes to elucidate mechanistic pathways for very different, yet important chemistries. Another important isotope method is the study of kinetic isotope effects (KIEs) and equilibrium isotope effect (EIEs). Here the mere observation of where a label winds up is no longer enough - what matters is how much slower (or faster) a labeled molecule reacts than the unlabeled material. The most careti studies essentially involve the measurement of isotope fractionation between a reference ground state and the transition state. Thus kinetic isotope effects provide unique data unavailable from other methods, since information about the transition state of a reaction is obtained. Because getting an experimental glimpse of transition states is really tantamount to understanding catalysis, kinetic isotope effects are very powerful.

  4. Structural motifs of pre-nucleation clusters.

    Science.gov (United States)

    Zhang, Y; Türkmen, I R; Wassermann, B; Erko, A; Rühl, E

    2013-10-07

    Structural motifs of pre-nucleation clusters prepared in single, optically levitated supersaturated aqueous aerosol microparticles containing CaBr2 as a model system are reported. Cluster formation is identified by means of X-ray absorption in the Br K-edge regime. The salt concentration beyond the saturation point is varied by controlling the humidity in the ambient atmosphere surrounding the 15-30 μm microdroplets. This leads to the formation of metastable supersaturated liquid particles. Distinct spectral shifts in near-edge spectra as a function of salt concentration are observed, in which the energy position of the Br K-edge is red-shifted by up to 7.1 ± 0.4 eV if the dilute solution is compared to the solid. The K-edge positions of supersaturated solutions are found between these limits. The changes in electronic structure are rationalized in terms of the formation of pre-nucleation clusters. This assumption is verified by spectral simulations using first-principle density functional theory and molecular dynamics calculations, in which structural motifs are considered, explaining the experimental results. These consist of solvated CaBr2 moieties, rather than building blocks forming calcium bromide hexahydrates, the crystal system that is formed by drying aqueous CaBr2 solutions.

  5. Earthquake nucleation in weak subducted carbonates

    Science.gov (United States)

    Kurzawski, Robert M.; Stipp, Michael; Niemeijer, André R.; Spiers, Christopher J.; Behrmann, Jan H.

    2016-09-01

    Ocean-floor carbonate- and clay-rich sediments form major inputs to subduction zones, especially at low-latitude convergent plate margins. Therefore, knowledge of their frictional behaviour is fundamental for understanding plate-boundary earthquakes. Here we report results of mechanical tests performed on simulated fault gouges prepared from ocean-floor carbonates and clays, cored during IODP drilling offshore Costa Rica. Clay-rich gouges show internal friction coefficients (that is, the slope of linearized shear stress versus normal stress data) of μint = 0.44 - 0.56, irrespective of temperature and pore-fluid pressure (Pf). By contrast, μint for the carbonate gouge strongly depends on temperature and pore-fluid pressure, with μint decreasing dramatically from 0.84 at room temperature and Pf = 20 MPa to 0.27 at T = 140 °C and Pf = 120 MPa. This effect provides a fundamental mechanism of shear localization and earthquake generation in subduction zones, and makes carbonates likely nucleation sites for plate-boundary earthquakes. Our results imply that rupture nucleation is prompted by a combination of temperature-controlled frictional instability and temperature- and pore-pressure-dependent weakening of calcareous fault gouges.

  6. 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)

  7. 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)

  8. 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

  9. The mechanism of deceleration of nucleation and crystal growth by the small addition of transition metals to lithium disilicate glasses

    Science.gov (United States)

    Thieme, Katrin; Avramov, Isak; Rüssel, Christian

    2016-01-01

    The addition of small amounts of niobium or tantalum oxide to lithium disilicate glass provokes a drastic decrease of the steady-state nucleation rates and the crystal growth velocities. The viscosity of the residual glassy matrix is considered as a function of the crystallization degree in the course of a non-isothermal crystallization. For simplification, a homogeneous distribution of the added oxides in the glass matrix is assumed. While the viscosity initially decreases, it significantly increases again for higher crystallization degrees hindering crystal growth. However, it was shown that the additives are enriched at the crystal interface. Several possible reasons for the inhibition of nucleation and growth kinetics such as viscosity, interfacial energy crystal/glassy phase, thermodynamic driving force or impingement rate are discussed. Since the crystallization front is blocked by the additives the impingement rate is decreased with increasing additive concentration. Since small concentrations of Nb2O5 and Ta2O5 have a drastic effect on the nucleation, these components should be enriched at the interface crystal/glass. This will only take place, if it leads to a decrease in the interfacial energy. Since this effect alone should result in an increase of the nucleation rate, it must be overcompensated by kinetic effects. PMID:27150844

  10. Improving homogeneity by dynamic speed limit systems.

    NARCIS (Netherlands)

    Nes, N. van Brandenberg, S. & Twisk, D.A.M.

    2010-01-01

    Homogeneity of driving speeds is an important variable in determining road safety; more homogeneous driving speeds increase road safety. This study investigates the effect of introducing dynamic speed limit systems on homogeneity of driving speeds. A total of 46 subjects twice drove a route along 12

  11. 7 CFR 58.636 - Homogenization.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 3 2010-01-01 2010-01-01 false Homogenization. 58.636 Section 58.636 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.636 Homogenization. Homogenization of the pasteurized mix shall be accomplished to...

  12. The homogeneous geometries of real hyperbolic space

    DEFF Research Database (Denmark)

    Castrillón López, Marco; Gadea, Pedro Martínez; Swann, Andrew Francis

    We describe the holonomy algebras of all canonical connections of homogeneous structures on real hyperbolic spaces in all dimensions. The structural results obtained then lead to a determination of the types, in the sense of Tricerri and Vanhecke, of the corresponding homogeneous tensors. We use...... our analysis to show that the moduli space of homogeneous structures on real hyperbolic space has two connected components....

  13. Orthogonality Measurement for Homogenous Projects-Bases

    Science.gov (United States)

    Ivan, Ion; Sandu, Andrei; Popa, Marius

    2009-01-01

    The homogenous projects-base concept is defined. Next, the necessary steps to create a homogenous projects-base are presented. A metric system is built, which then will be used for analyzing projects. The indicators which are meaningful for analyzing a homogenous projects-base are selected. The given hypothesis is experimentally verified. The…

  14. The evaporative vector: Homogeneous systems

    International Nuclear Information System (INIS)

    Klots, C.E.

    1987-05-01

    Molecular beams of van der Waals molecules are the subject of much current research. Among the methods used to form these beams, three-sputtering, laser ablation, and the sonic nozzle expansion of neat gases - yield what are now recognized to be ''warm clusters.'' They contain enough internal energy to undergo a number of first-order processes, in particular that of evaporation. Because of this evaporation and its attendant cooling, the properties of such clusters are time-dependent. The states of matter which can be arrived at via an evaporative vector on a typical laboratory time-scale are discussed. Topics include the (1) temperatures, (2) metastability, (3) phase transitions, (4) kinetic energies of fragmentation, and (5) the expression of magical properties, all for evaporating homogeneous clusters

  15. Technical note: Instantaneous sampling intervals validated from continuous video observation for behavioral recording of feedlot lambs.

    Science.gov (United States)

    Pullin, A N; Pairis-Garcia, M D; Campbell, B J; Campler, M R; Proudfoot, K L

    2017-11-01

    When considering methodologies for collecting behavioral data, continuous sampling provides the most complete and accurate data set whereas instantaneous sampling can provide similar results and also increase the efficiency of data collection. However, instantaneous time intervals require validation to ensure accurate estimation of the data. Therefore, the objective of this study was to validate scan sampling intervals for lambs housed in a feedlot environment. Feeding, lying, standing, drinking, locomotion, and oral manipulation were measured on 18 crossbred lambs housed in an indoor feedlot facility for 14 h (0600-2000 h). Data from continuous sampling were compared with data from instantaneous scan sampling intervals of 5, 10, 15, and 20 min using a linear regression analysis. Three criteria determined if a time interval accurately estimated behaviors: 1) ≥ 0.90, 2) slope not statistically different from 1 ( > 0.05), and 3) intercept not statistically different from 0 ( > 0.05). Estimations for lying behavior were accurate up to 20-min intervals, whereas feeding and standing behaviors were accurate only at 5-min intervals (i.e., met all 3 regression criteria). Drinking, locomotion, and oral manipulation demonstrated poor associations () for all tested intervals. The results from this study suggest that a 5-min instantaneous sampling interval will accurately estimate lying, feeding, and standing behaviors for lambs housed in a feedlot, whereas continuous sampling is recommended for the remaining behaviors. This methodology will contribute toward the efficiency, accuracy, and transparency of future behavioral data collection in lamb behavior research.

  16. Correction for adiabatic effects in lethe calculated instantaneous gas consumption of scuba dives

    NARCIS (Netherlands)

    Schellart, Nico A. M.; Le Péchon, Jean-Claude

    2015-01-01

    Introduction: In scuba-diving practice, instantaneous gas consumption is generally calculated from the fall in cylinder pressure without considering the effects of water temperature (heat transfer) and adiabatic processes. We aimed to develop a simple but precise method for calculating the

  17. A framework for assessing frequency domain causality in physiological time series with instantaneous effects.

    Science.gov (United States)

    Faes, Luca; Erla, Silvia; Porta, Alberto; Nollo, Giandomenico

    2013-08-28

    We present an approach for the quantification of directional relations in multiple time series exhibiting significant zero-lag interactions. To overcome the limitations of the traditional multivariate autoregressive (MVAR) modelling of multiple series, we introduce an extended MVAR (eMVAR) framework allowing either exclusive consideration of time-lagged effects according to the classic notion of Granger causality, or consideration of combined instantaneous and lagged effects according to an extended causality definition. The spectral representation of the eMVAR model is exploited to derive novel frequency domain causality measures that generalize to the case of instantaneous effects the known directed coherence (DC) and partial DC measures. The new measures are illustrated in theoretical examples showing that they reduce to the known measures in the absence of instantaneous causality, and describe peculiar aspects of directional interaction among multiple series when instantaneous causality is non-negligible. Then, the issue of estimating eMVAR models from time-series data is faced, proposing two approaches for model identification and discussing problems related to the underlying model assumptions. Finally, applications of the framework on cardiovascular variability series and multichannel EEG recordings are presented, showing how it allows one to highlight patterns of frequency domain causality consistent with well-interpretable physiological interaction mechanisms.

  18. Instantaneous nonvertical electronic transitions with shaped femtosecond laser pulses: Is it possible?

    DEFF Research Database (Denmark)

    Henriksen, Niels Engholm; Møller, Klaus Braagaard

    2003-01-01

    In molecular electronic transitions, a vertical transition can be induced by an ultrashort laser pulse. That is, a replica of the initial nuclear state-times the transition dipole moment of the electronic transition-can be created instantaneously (on the time scale of nuclear motion) in the excited...

  19. Instantaneous response spectrum in seismic testing of nuclear power plant equipment

    International Nuclear Information System (INIS)

    Morrone, A.

    1977-01-01

    This paper presents the concept of instantaneous response spectrum (IRS) as the response of single degree of freedom oscillators at a particular time. It demonstrates that a shake table random motion whose standard TRS envelops the RRS does not necessarily satisfy the enveloping requirement instantaneously. That is, any one (or more) instantaneous required response spectrum (IRRS) is not enveloped by any instantaneous test response spectrum (ITRS). Response spectra from different time histories, including single frequency sine beat motion used in resonance testing, are compared for enveloping with maximum response and with the actual response at particular times. These comparisons are given for the enveloping of RRS and IRRS derived with a time history response calculated at a particular building elevation of a nuclear power plant. For the test motion, several of the most severe ITRS derived with a modified EL Centro motion and with a sine beat motion with ten cycles per beat were used. It is shown that although the TRS with the modified EL Centro motion enveloped the given RRS, the selected modified EL Centro ITRS did not envelop the corresponding IRRS. With the sine beat motion, even though the TRS did not fully envelop the given RRS, the resulting sine beat ITRS did not require a larger factor for full IRRS enveloping than those of the modified EL Centro motion

  20. Does the instantaneous wave-free ratio approximate the fractional flow reserve?

    NARCIS (Netherlands)

    Johnson, Nils P.; Kirkeeide, Richard L.; Asrress, Kaleab N.; Fearon, William F.; Lockie, Timothy; Marques, Koen M. J.; Pyxaras, Stylianos A.; Rolandi, M. Cristina; van 't Veer, Marcel; de Bruyne, Bernard; Piek, Jan J.; Pijls, Nico H. J.; Redwood, Simon; Siebes, Maria; Spaan, Jos A. E.; Gould, K. Lance

    2013-01-01

    This study sought to examine the clinical performance of and theoretical basis for the instantaneous wave-free ratio (iFR) approximation to the fractional flow reserve (FFR). Recent work has proposed iFR as a vasodilation-free alternative to FFR for making mechanical revascularization decisions. Its

  1. Nucleation of domains under the influence of temperature in ...

    Indian Academy of Sciences (India)

    Abstract. It is found that the nucleation of domains can take place in Ba5Ti2O7Cl4 under the influence of temperature unlike in many other ferroelectrics. The nucleated domain can also be removed from the structure under the randomizing effect of tem- perature. These observations have been explained on the basis of a ...

  2. Nucleation of voids and other irradiation-produced defect aggregates

    International Nuclear Information System (INIS)

    Wiedersich, H.; Katz, J.L.

    1976-01-01

    The nucleation of defect clusters in crystalline solids from radiation-produced defects is different from the usual nucleation processes in one important aspect: the condensing defects, interstitial atoms and vacancies, can mutually annihilate and are thus similar to matter and antimatter. The nucleation process is described as the simultaneous reaction of vacancies and interstitials (and gas atoms if present) with embryos of all sizes. The reaction rates for acquisition of point defects (and gas atoms) are calculated from their respective jump frequencies and concentrations in the supersaturated system. The reaction rates for emission of point defects are derived from the free energies of the defect clusters in the thermodynamic equilibrium system, i.e., the system without excess point defects. This procedure differs from that used in conventional nucleation theory and permits the inclusion of the ''antimatter'' defect into the set of reaction-rate equations in a straightforward manner. The method is applied to steady-state nucleation, during irradiation, of both dislocation loops and voids in the absence and in the presence of immobile and mobile gas. The predictions of the nucleation theory are shown to be in qualitative agreement with experimental observations, e.g., void densities increase with increasing displacement rates; gases such as helium enhance void nucleation; at low displacement rates and at high temperatures the presence of gas is essential to void formation. For quantitative predictions, the theory must be extended to include the termination of nucleation

  3. 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.

  4. Nucleation path of helium bubbles in metals during irradiation

    International Nuclear Information System (INIS)

    Morishita, Kazunori

    2008-01-01

    Thermodynamical formalization is made for description of the nucleation and growth of helium bubbles in metals during irradiation. The proposed formalization is available or evaluating both microstructural changes in fusion first wall materials where helium is produced by (n, α) nuclear transmutation reactions, and those in fusion divertor materials where helium particles with low energy are directly implanted. Calculated nucleation barrier is significantly reduced by the presence of helium, showing that a helium bubble with an appropriate number of helium atoms depending on bubble size can nucleate without any large nucleation barriers, even at a condition where an empty void has very large nucleation barrier without helium. With the proposed thermodynamical formalization, the nucleation and growth process of helium bubbles in iron during irradiation is simulated by the kinetic Monte-Carlo (KMC) technique. It shows the nucleation path of a helium bubble on the (N He , N V ) space as functions of temperatures and the concentration of helium in the matrix, where N He and N V are the number of helium atoms and vacancies in the helium bubble, respectively. Bubble growth rates depend on the nucleation path and suggest that two different mechanisms operate for bubble growth: one is controlled by vacancy diffusion and the other is controlled by interstitial helium diffusion. (author)

  5. Protein Polymerization into Fibrils from the Viewpoint of Nucleation Theory.

    Science.gov (United States)

    Kashchiev, Dimo

    2015-11-17

    The assembly of various proteins into fibrillar aggregates is an important phenomenon with wide implications ranging from human disease to nanoscience. Using general kinetic results of nucleation theory, we analyze the polymerization of protein into linear or helical fibrils in the framework of the Oosawa-Kasai (OK) model. We show that while within the original OK model of linear polymerization the process does not involve nucleation, within a modified OK model it is nucleation-mediated. Expressions are derived for the size of the fibril nucleus, the work for fibril formation, the nucleation barrier, the equilibrium and stationary fibril size distributions, and the stationary fibril nucleation rate. Under otherwise equal conditions, this rate decreases considerably when the short (subnucleus) fibrils lose monomers much more frequently than the long (supernucleus) fibrils, a feature that should be born in mind when designing a strategy for stymying or stimulating fibril nucleation. The obtained dependence of the nucleation rate on the concentration of monomeric protein is convenient for experimental verification and for use in rate equations accounting for nucleation-mediated fibril formation. The analysis and the results obtained for linear fibrils are fully applicable to helical fibrils whose formation is describable by a simplified OK model. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  6. 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.)

  7. 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

  8. 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

  9. Focus: Nucleation kinetics of shear bands in metallic glass.

    Science.gov (United States)

    Wang, J Q; Perepezko, J H

    2016-12-07

    The development of shear bands is recognized as the primary mechanism in controlling the plastic deformability of metallic glasses. However, the kinetics of the nucleation of shear bands has received limited attention. The nucleation of shear bands in metallic glasses (MG) can be investigated using a nanoindentation method to monitor the development of the first pop-in event that is a signature of shear band nucleation. The analysis of a statistically significant number of first pop-in events demonstrates the stochastic behavior that is characteristic of nucleation and reveals a multimodal behavior associated with local spatial heterogeneities. The shear band nucleation rate of the two nucleation modes and the associated activation energy, activation volume, and site density were determined by loading rate experiments. The nucleation activation energy is very close to the value that is characteristic of the β relaxation in metallic glass. The identification of the rate controlling kinetics for shear band nucleation offers guidance for promoting plastic flow in metallic glass.

  10. Water nucleation : wave tube experiments and theoretical considerations

    NARCIS (Netherlands)

    Holten, V.

    2009-01-01

    This work is an experimental and theoretical study of the condensation of water. Condensation consists of nucleation – the formation of droplets – and the subsequent growth of those droplets. In our expansion tube setup, these processes are separated in time with the nucleation pulse principle, in

  11. Determining the nucleation rate from the dimer growth probability

    NARCIS (Netherlands)

    Ter Horst, J.H.; Kashchiev, D.

    2005-01-01

    A new method is proposed for the determination of the stationary one-component nucleation rate J with the help of data for the growth probability P2 of a dimer which is the smallest cluster of the nucleating phase. The method is based on an exact formula relating J and P2, and is readily applicable

  12. Effect of noise-induced nucleation on grain size distribution studied via the phase-field crystal method

    International Nuclear Information System (INIS)

    Hubert, J; Cheng, M; Emmerich, H

    2009-01-01

    We contribute to the more detailed understanding of the phase-field crystal model recently developed by Elder et al (2002 Phys. Rev. Lett. 88 245701), by focusing on its noise term and examining its impact on the nucleation rate in a homogeneously solidifying system as well as on successively developing grain size distributions. In this context we show that principally the grain size decreases with increasing noise amplitude, resulting in both a smaller average grain size and a decreased maximum grain size. Despite this general tendency, which we interpret based on Panfilis and Filiponi (2000 J. Appl. Phys. 88 562), we can identify two different regimes in which nucleation and successive initial growth are governed by quite different mechanisms.

  13. Preparation and nucleation of spherical metallic droplet

    Directory of Open Access Journals (Sweden)

    Bing-ge Zhao

    2015-03-01

    Full Text Available The preparation and solidification of metallic droplets attract more and more attention for their significance in both engineering and scientific fields. In this paper, the preparation and characterization of Sn-based alloy droplets using different methods such as atomization and consumable electrode direct current arc (CDCA technique are reviewed. The morphology and structure of these droplets were determined by optical microscopy, X-ray diffraction (XRD and scanning electron microscopy (SEM. The solidification behavior of single droplet was systematically studied by means of scanning calorimetry (DSC, and the nucleation kinetics was also calculated. In particular, the development of fast scanning calorimetry (FSC made it possible to investigate the evolution of undercooling under ultrafast but controllable heating and cooling conditions. The combination of CDCA technique and FSC measurements opens up a new door for quantitative studies on droplet solidification, which is accessible to demonstrate some theories by experiments.

  14. Magnetic droplet soliton nucleation in oblique fields

    Science.gov (United States)

    Mohseni, Morteza; Hamdi, M.; Yazdi, H. F.; Banuazizi, S. A. H.; Chung, S.; Sani, S. R.; Åkerman, Johan; Mohseni, Majid

    2018-05-01

    We study the auto-oscillating magnetodynamics in orthogonal spin-torque nano-oscillators (STNOs) as a function of the out-of-plane (OOP) magnetic-field angle. In perpendicular fields and at OOP field angles down to approximately 50°, we observe the nucleation of a droplet. However, for field angles below 50°, experiments indicate that the droplet gives way to propagating spin waves, in agreement with our micromagnetic simulations. Theoretical calculations show that the physical mechanism behind these observations is the sign changing of spin-wave nonlinearity (SWN) by angle. In addition, we show that the presence of a strong perpendicular magnetic anisotropy free layer in the system reverses the angular dependence of the SWN and dynamics in STNOs with respect to the known behavior determined for the in-plane magnetic anisotropy free layer. Our results are of fundamental interest in understanding the rich dynamics of nanoscale solitons and spin-wave dynamics in STNOs.

  15. 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)

  16. Molecular dynamics simulation of bubble nucleation in explosive boiling

    International Nuclear Information System (INIS)

    Zou Yu; Chinese Academy of Sciences, Beijing; Huai Xiulan; Liang Shiqiang

    2009-01-01

    Molecular dynamics (MD) simulation is carried out for the bubble nucleation of liquid nitrogen in explosive boiling. The heat is transferred into the simulation system by rescaling the velocity of the molecules. The results indicate that the initial equilibrium temperature of liquid and molecular cluster size affect the energy conversion in the process of bubble nucleation. The potential energy of the system violently varies at the beginning of the bubble nucleation, and then varies around a fixed value. At the end of bubble nucleation, the potential energy of the system slowly increases. In the bubble nucleation of explosive boiling, the lower the initial equilibrium temperature, the larger the size of the molecular cluster, and the more the heat transferred into the system of the simulation cell, causing the increase potential energy in a larger range. (authors)

  17. Copper Oxidation through Nucleation Sites of Chemical Vapor Deposited Graphene

    DEFF Research Database (Denmark)

    Luo, Birong; Whelan, Patrick Rebsdorf; Shivayogimath, Abhay

    2016-01-01

    We investigate the nucleation defect-triggered oxidation of Cu covered by CVD graphene during postannealing in air. The results reveal that different growth conditions may induce imperfect nucleation of graphene, and cause creation of defects near the nucleation point such as pin holes...... and amorphous carbon. These defects would serve as a pathway for the diffusion of 02 during thermal annealing, allowing oxidation of Cu to progress gradually from the nucleation center toward the growth edge. The oxidation process follows the graphene morphology closely; the shape of the oxidized area of Cu has...... a striking resemblance to that of the graphene flakes. Our work demonstrates that inferior graphene nucleation in CVD processes can compromise the oxidation resistance of a graphene-coated Cu substrate, and indirectly reveal the structure and integrity of graphene, which is of fundamental importance...

  18. Aerosol nucleation induced by a high energy particle beam

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker; Pedersen, Jens Olaf Pepke; Uggerhøj, Ulrik I.

    2011-01-01

    We have studied sulfuric acid aerosol nucleation in an atmospheric pressure reaction chamber using a 580 MeV electron beam to ionize the volume of the reaction chamber. We find a clear contribution from ion-induced nucleation and consider this to be the first unambiguous observation of the ion......-effect on aerosol nucleation using a particle beam under conditions that resemble the Earth's atmosphere. By comparison with ionization using a gamma source we further show that the nature of the ionizing particles is not important for the ion-induced component of the nucleation. This implies that inexpensive...... ionization sources - as opposed to expensive accelerator beams - can be used for investigations of ion-induced nucleation....

  19. From glass to crystal - Nucleation, growth and de-mixing, from research to applications

    International Nuclear Information System (INIS)

    Neuville, Daniel R.; Cormier, Laurent; Caurant, Daniel; Montagne, Lionel; Charpentier, Thibault; Chevalier, Jerome; Comte, Monique; Dargaud, Olivier; Ligny, Dominique de; Deniard, Philippe; Dussardier, Bernard; Dussauze, Marc; Fargin, Evelyne; Gremillard, Laurent; Gredin, Patrick; Jousseaume, Cecile; Lafait, Jacques; Lancry, Mathieu; Lefebvre, Leila; Levelut, Claire; Magallanes-Pedromo, Marlin; Massiot, Dominique; Mear, Francois O.; Meille, Sylvain; Meng, Nicolas; Mortier, Michel; Papin, Sophie; Papon, Gautier; Pastouret, Main; Petit, Yannick; Poumellec, Bertrand; Pradel, Annie; Reillon, Vincent; Rodriguez, Vincent; Rogez, Jacques; Roussel, Pascal; Royon, Arnaud; Schuller, Sophie; Tricot, Gregory; Vigouroux, Helene

    2013-01-01

    This book first presents the conventional nucleation theory: vitrification, homogeneous and heterogeneous nucleation, induction time, crystal growth, Oswald law. The second part addresses the evolutions beyond this theory: cluster dynamics, validity of the Stokes-Einstein relationship, non conventional germ system, Gibbs generalized approach, two-stage model. The third part addresses the thermodynamic stability and the global kinetics of transformation: thermodynamic stability and instability of a vitreous system, phenomenological approach to transformation kinetics. The fourth part addresses the de-mixing process on glasses: thermodynamic description of phase separation, de-mixing kinetics, influence of glass structure on de-mixing trend, de-mixing characterisation. The next parts describe the crystal-chemical approach to the main crystalline phases noticed in glass-ceramics (silicate phases and phosphates), the elaboration and control of glass-ceramic microstructure (controllable parameters, elaboration processes, characterization methods, microstructure types, design of glass-ceramics with desired properties by control of crystallisation mechanisms), X ray diffraction in the case of glass-ceramics, calorimetry and differential thermal analysis for the study of glass ceramics, the application of electronic microscopy to the study of nucleation and crystallisation in glasses, small-angle scattering of X rays and neutrons, the use of nuclear magnetic resonance to understand the disorder and crystallisation in vitreous materials, the use of Raman spectrometry to study mechanisms of nucleation and crystal growth, large instruments aimed at an in situ approaches to crystallisation, commercial applications of glass-ceramics, applications of biomaterials in glass and glass-ceramics, the coloration of metal nanoparticles, transparent glass-ceramics, the formation and applications of nanoparticles in silica-based optic fibres, the both-way relationship between non linear

  20. Crystal growth nucleation and Fermi energy equalization of intrinsic spherical nuclei in glass-forming melts

    Directory of Open Access Journals (Sweden)

    Robert F Tournier

    2009-01-01

    Full Text Available The energy saving resulting from the equalization of Fermi energies of a crystal and its melt is added to the Gibbs free-energy change ΔG2ls associated with a crystal formation in glass-forming melts. This negative contribution being a fraction ε ls(T of the fusion heat is created by the electrostatic potential energy −U0 resulting from the electron transfer from the crystal to the melt and is maximum at the melting temperature Tm in agreement with a thermodynamics constraint. The homogeneous nucleation critical temperature T2, the nucleation critical barrier ΔG2ls*/kBT and the critical radius R*2ls are determined as functions of εls(T. In bulk metallic glass forming melts, εls(T and T2 only depend on the free-volume disappearance temperature T0l, and εls(Tm is larger than 1 (T0l>Tm/3; in conventional undercooled melts εls(Tm is smaller than 1 (T0l>Tm/3. Unmelted intrinsic crystals act as growth nuclei reducing ΔG2ls*/kBT and the nucleation time. The temperature-time transformation diagrams of Mg65Y10 Cu25, Zr41.2Ti13.8 Cu12.5Ni10Be22.5, Pd43Cu27 Ni10P20, Fe83B17 and Ni melts are predicted using classic nucleation models including time lags in transient nucleation, by varying the intrinsic nucleus contribution to the reduction of ΔG2ls*/kBT. The energy-saving coefficient ε nm(T of an unmelted crystal of radius Rnm is reduced when Rnm LtR*2ls; εnm is quantified and corresponds to the first energy level of one s-electron moving in vacuum in the same spherical attractive potential −U0 despite the fact that the charge screening is built by many-body effects.

  1. 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.

  2. Free energy landscape and molecular pathways of gas hydrate nucleation

    International Nuclear Information System (INIS)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu

    2016-01-01

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p B histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  3. Free energy landscape and molecular pathways of gas hydrate nucleation.

    Science.gov (United States)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu

    2016-12-07

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p B histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  4. 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

  5. Free energy landscape and molecular pathways of gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu, E-mail: tsli@gwu.edu [Department of Civil and Environmental Engineering, George Washington University, Washington DC 20052 (United States)

    2016-12-07

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p{sub B} histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p{sub B} histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  6. Airborne measurements of nucleation mode particles I: coastal nucleation and growth rates

    Directory of Open Access Journals (Sweden)

    C. D. O'Dowd

    2007-01-01

    Full Text Available A light aircraft was equipped with a bank of Condensation Particle Counters (CPCs (50% cut from 3–5.4–9.6 nm and a nano-Scanning Mobility Particle Sizer (nSMPS and deployed along the west coast of Ireland, in the vicinity of Mace Head. The objective of the exercise was to provide high resolution micro-physical measurements of the coastal nucleation mode in order to map the spatial extent of new particle production regions and to evaluate the evolution, and associated growth rates of the coastal nucleation-mode aerosol plume. Results indicate that coastal new particle production is occurring over most areas along the land-sea interface with peak concentrations at the coastal plume-head in excess of 106 cm−3. Pseudo-Lagrangian studies of the coastal plume evolution illustrated significant growth of new particles to sizes in excess of 8 nm approximately 10 km downwind of the source region. Close to the plume head (<1 km growth rates can be as high as 123–171 nm h−1, decreasing gradually to 53–72 nm h−1 at 3 km. Further along the plume, at distances up to 10 km, the growth rates are calculated to be 17–32 nm h−1. Growth rates of this magnitude suggest that after a couple of hours, coastal nucleation mode particles can reach significant sizes where they can contribution to the regional aerosol loading.

  7. AEROSOL NUCLEATION AND GROWTH DURING LAMINAR TUBE FLOW: MAXIMUM SATURATIONS AND NUCLEATION RATES. (R827354C008)

    Science.gov (United States)

    An approximate method of estimating the maximum saturation, the nucleation rate, and the total number nucleated per second during the laminar flow of a hot vapour–gas mixture along a tube with cold walls is described. The basis of the approach is that the temperature an...

  8. Ice Nucleation in the Tropical Tropopause Layer: Implications for Cirrus Occurrence, Cirrus Microphysical Properties, and Dehydration of Air Entering the Stratosphere

    Science.gov (United States)

    Jensen, Eric; Kaercher, Bernd; Ueyama, Rei; Pfister, Leonhard

    2017-01-01

    Recent laboratory experiments have advanced our understanding of the physical properties and ice nucleating abilities of aerosol particles atlow temperatures. In particular, aerosols containing organics will transition to a glassy state at low temperatures, and these glassy aerosols are moderately effective as ice nuclei. These results have implications for ice nucleation in the cold Tropical Tropopause Layer (TTL; 13-19 km). We have developed a detailed cloud microphysical model that includes heterogeneous nucleation on a variety of aerosol types and homogeneous freezing of aqueous aerosols. This model has been incorporated into one-dimensional simulations of cirrus and water vapor driven by meteorological analysis temperature and wind fields. The model includes scavenging of ice nuclei by sedimenting ice crystals. The model is evaluated by comparing the simulated cloud properties and water vapor concentrations with aircraft and satellite measurements. In this presentation, I will discuss the relative importance of homogeneous and heterogeneous ice nucleation, the impact of ice nuclei scavenging as air slowly ascends through the TTL, and the implications for the final dehydration of air parcels crossing the tropical cold-point tropopause and entering the tropical stratosphere.

  9. Reciprocity theory of homogeneous reactions

    Science.gov (United States)

    Agbormbai, Adolf A.

    1990-03-01

    The reciprocity formalism is applied to the homogeneous gaseous reactions in which the structure of the participating molecules changes upon collision with one another, resulting in a change in the composition of the gas. The approach is applied to various classes of dissociation, recombination, rearrangement, ionizing, and photochemical reactions. It is shown that for the principle of reciprocity to be satisfied it is necessary that all chemical reactions exist in complementary pairs which consist of the forward and backward reactions. The backward reaction may be described by either the reverse or inverse process. The forward and backward processes must satisfy the same reciprocity equation. Because the number of dynamical variables is usually unbalanced on both sides of a chemical equation, it is necessary that this balance be established by including as many of the dynamical variables as needed before the reciprocity equation can be formulated. Statistical transformation models of the reactions are formulated. The models are classified under the titles free exchange, restricted exchange and simplified restricted exchange. The special equations for the forward and backward processes are obtained. The models are consistent with the H theorem and Le Chatelier's principle. The models are also formulated in the context of the direct simulation Monte Carlo method.

  10. Moral Beliefs and Cognitive Homogeneity

    Directory of Open Access Journals (Sweden)

    Nevia Dolcini

    2018-04-01

    Full Text Available The Emotional Perception Model of moral judgment intends to account for experientialism about morality and moral reasoning. In explaining how moral beliefs are formed and applied in practical reasoning, the model attempts to overcome the mismatch between reason and action/desire: morality isn’t about reason for actions, yet moral beliefs, if caused by desires, may play a motivational role in (moral agency. The account allows for two kinds of moral beliefs: genuine moral beliefs, which enjoy a relation to desire, and motivationally inert moral beliefs acquired in ways other than experience. Such etiology-based dichotomy of concepts, I will argue, leads to the undesirable view of cognition as a non-homogeneous phenomenon. Moreover, the distinction between moral beliefs and moral beliefs would entail a further dichotomy encompassing the domain of moral agency: one and the same action might possibly be either genuine moral, or not moral, if acted by individuals lacking the capacity for moral feelings, such as psychopaths.

  11. Homogeneous modes of cosmological instantons

    Energy Technology Data Exchange (ETDEWEB)

    Gratton, Steven; Turok, Neil

    2001-06-15

    We discuss the O(4) invariant perturbation modes of cosmological instantons. These modes are spatially homogeneous in Lorentzian spacetime and thus not relevant to density perturbations. But their properties are important in establishing the meaning of the Euclidean path integral. If negative modes are present, the Euclidean path integral is not well defined, but may nevertheless be useful in an approximate description of the decay of an unstable state. When gravitational dynamics is included, counting negative modes requires a careful treatment of the conformal factor problem. We demonstrate that for an appropriate choice of coordinate on phase space, the second order Euclidean action is bounded below for normalized perturbations and has a finite number of negative modes. We prove that there is a negative mode for many gravitational instantons of the Hawking-Moss or Coleman{endash}De Luccia type, and discuss the associated spectral flow. We also investigate Hawking-Turok constrained instantons, which occur in a generic inflationary model. Implementing the regularization and constraint proposed by Kirklin, Turok and Wiseman, we find that those instantons leading to substantial inflation do not possess negative modes. Using an alternate regularization and constraint motivated by reduction from five dimensions, we find a negative mode is present. These investigations shed new light on the suitability of Euclidean quantum gravity as a potential description of our universe.

  12. Homogeneous modes of cosmological instantons

    International Nuclear Information System (INIS)

    Gratton, Steven; Turok, Neil

    2001-01-01

    We discuss the O(4) invariant perturbation modes of cosmological instantons. These modes are spatially homogeneous in Lorentzian spacetime and thus not relevant to density perturbations. But their properties are important in establishing the meaning of the Euclidean path integral. If negative modes are present, the Euclidean path integral is not well defined, but may nevertheless be useful in an approximate description of the decay of an unstable state. When gravitational dynamics is included, counting negative modes requires a careful treatment of the conformal factor problem. We demonstrate that for an appropriate choice of coordinate on phase space, the second order Euclidean action is bounded below for normalized perturbations and has a finite number of negative modes. We prove that there is a negative mode for many gravitational instantons of the Hawking-Moss or ColemanendashDe Luccia type, and discuss the associated spectral flow. We also investigate Hawking-Turok constrained instantons, which occur in a generic inflationary model. Implementing the regularization and constraint proposed by Kirklin, Turok and Wiseman, we find that those instantons leading to substantial inflation do not possess negative modes. Using an alternate regularization and constraint motivated by reduction from five dimensions, we find a negative mode is present. These investigations shed new light on the suitability of Euclidean quantum gravity as a potential description of our universe

  13. Nucleation and arrest of slow slip earthquakes: mechanisms and nonlinear simulations using realistic fault geometries and heterogeneous medium properties

    Science.gov (United States)

    Alves da Silva Junior, J.; Frank, W.; Campillo, M.; Juanes, R.

    2017-12-01

    Current models for slow slip earthquakes (SSE) assume a simplified fault embedded on a homogeneous half-space. In these models SSE events nucleate on the transition from velocity strengthening (VS) to velocity weakening (VW) down dip from the trench and propagate towards the base of the seismogenic zone, where high normal effective stress is assumed to arrest slip. Here, we investigate SSE nucleation and arrest using quasi-static finite element simulations, with rate and state friction, on a domain with heterogeneous properties and realistic fault geometry. We use the fault geometry of the Guerrero Gap in the Cocos subduction zone, where SSE events occurs every 4 years, as a proxy for subduction zone. Our model is calibrated using surface displacements from GPS observations. We apply boundary conditions according to the plate convergence rate and impose a depth-dependent pore pressure on the fault. Our simulations indicate that the fault geometry and elastic properties of the medium play a key role in the arrest of SSE events at the base of the seismogenic zone. SSE arrest occurs due to aseismic deformations of the domain that result in areas with elevated effective stress. SSE nucleation occurs in the transition from VS to VW and propagates as a crack-like expansion with increased nucleation length prior to dynamic instability. Our simulations encompassing multiple seismic cycles indicate SSE interval times between 1 and 10 years and, importantly, a systematic increase of rupture area prior to dynamic instability, followed by a hiatus in the SSE occurrence. We hypothesize that these SSE characteristics, if confirmed by GPS observations in different subduction zones, can add to the understanding of nucleation of large earthquakes in the seismogenic zone.

  14. Ice nucleation by surrogates for atmospheric mineral dust and mineral dust/sulfate particles at cirrus temperatures

    Directory of Open Access Journals (Sweden)

    C. M. Archuleta

    2005-01-01

    Full Text Available This study examines the potential role of some types of mineral dust and mineral dust with sulfuric acid coatings as heterogeneous ice nuclei at cirrus temperatures. Commercially-available nanoscale powder samples of aluminum oxide, alumina-silicate and iron oxide were used as surrogates for atmospheric mineral dust particles, with and without multilayer coverage of sulfuric acid. A sample of Asian dust aerosol particles was also studied. Measurements of ice nucleation were made using a continuous-flow ice-thermal diffusion chamber (CFDC operated to expose size-selected aerosol particles to temperatures between -45 and -60°C and a range of relative humidity above ice-saturated conditions. Pure metal oxide particles supported heterogeneous ice nucleation at lower relative humidities than those required to homogeneously freeze sulfuric acid solution particles at sizes larger than about 50 nm. The ice nucleation behavior of the same metal oxides coated with sulfuric acid indicate heterogeneous freezing at lower relative humidities than those calculated for homogeneous freezing of the diluted particle coatings. The effect of soluble coatings on the ice activation relative humidity varied with the respective uncoated core particle types, but for all types the heterogeneous freezing rates increased with particle size for the same thermodynamic conditions. For a selected size of 200 nm, the natural mineral dust particles were the most effective ice nuclei tested, supporting heterogeneous ice formation at an ice relative humidity of approximately 135%, irrespective of temperature. Modified homogeneous freezing parameterizations and theoretical formulations are shown to have application to the description of heterogeneous freezing of mineral dust-like particles with soluble coatings.

  15. 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.

  16. Non-classical homogeneous precipitation mediated by compositional fluctuations in titanium alloys

    International Nuclear Information System (INIS)

    Nag, S.; Zheng, Y.; Williams, R.E.A.; Devaraj, A.; Boyne, A.; Wang, Y.; Collins, P.C.; Viswanathan, G.B.; Tiley, J.S.; Muddle, B.C.; Banerjee, R.

    2012-01-01

    This paper presents experimental evidence of homogeneous precipitation of the α-phase within the β matrix of a titanium alloy, and then accounts for this phase transformation by a new, non-classical mechanism involving compositional fluctuations, based on the pseudo-spinodal concept [1]. This mechanism involves local compositional fluctuations of small amplitude which, when of a certain magnitude, can favor thermodynamically certain regions of the β matrix to transform congruently to the α-phase but with compositions far from equilibrium. Subsequently, as measured experimentally using the tomographical atom probe, continuous diffusional partitioning between the parent β- and product α-phases during isothermal annealing drives their compositions towards equilibrium. For a given alloy composition, the decomposition mechanism is strongly temperature dependent, which would be expected for homogeneous precipitation via the compositional fluctuation-mediated mechanism but not necessarily for one based on classical nucleation theory. The applicability of this mechanism to phase transformations in general is noted.

  17. AQUEOUS HOMOGENEOUS REACTORTECHNICAL PANEL REPORT

    Energy Technology Data Exchange (ETDEWEB)

    Diamond, D.J.; Bajorek, S.; Bakel, A.; Flanagan, G.; Mubayi, V.; Skarda, R.; Staudenmeier, J.; Taiwo, T.; Tonoike, K.; Tripp, C.; Wei, T.; Yarsky, P.

    2010-12-03

    Considerable interest has been expressed for developing a stable U.S. production capacity for medical isotopes and particularly for molybdenum- 99 (99Mo). This is motivated by recent re-ductions in production and supply worldwide. Consistent with U.S. nonproliferation objectives, any new production capability should not use highly enriched uranium fuel or targets. Conse-quently, Aqueous Homogeneous Reactors (AHRs) are under consideration for potential 99Mo production using low-enriched uranium. Although the Nuclear Regulatory Commission (NRC) has guidance to facilitate the licensing process for non-power reactors, that guidance is focused on reactors with fixed, solid fuel and hence, not applicable to an AHR. A panel was convened to study the technical issues associated with normal operation and potential transients and accidents of an AHR that might be designed for isotope production. The panel has produced the requisite AHR licensing guidance for three chapters that exist now for non-power reactor licensing: Reac-tor Description, Reactor Coolant Systems, and Accident Analysis. The guidance is in two parts for each chapter: 1) standard format and content a licensee would use and 2) the standard review plan the NRC staff would use. This guidance takes into account the unique features of an AHR such as the fuel being in solution; the fission product barriers being the vessel and attached systems; the production and release of radiolytic and fission product gases and their impact on operations and their control by a gas management system; and the movement of fuel into and out of the reactor vessel.

  18. Homogeneity and thermodynamic identities in geometrothermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Quevedo, Hernando [Universidad Nacional Autonoma de Mexico, Instituto de Ciencias Nucleares (Mexico); Universita di Roma ' ' La Sapienza' ' , Dipartimento di Fisica, Rome (Italy); ICRANet, Rome (Italy); Quevedo, Maria N. [Universidad Militar Nueva Granada, Departamento de Matematicas, Facultad de Ciencias Basicas, Bogota (Colombia); Sanchez, Alberto [CIIDET, Departamento de Posgrado, Queretaro (Mexico)

    2017-03-15

    We propose a classification of thermodynamic systems in terms of the homogeneity properties of their fundamental equations. Ordinary systems correspond to homogeneous functions and non-ordinary systems are given by generalized homogeneous functions. This affects the explicit form of the Gibbs-Duhem relation and Euler's identity. We show that these generalized relations can be implemented in the formalism of black hole geometrothermodynamics in order to completely fix the arbitrariness present in Legendre invariant metrics. (orig.)

  19. A literature review on biotic homogenization

    OpenAIRE

    Guangmei Wang; Jingcheng Yang; Chuangdao Jiang; Hongtao Zhao; Zhidong Zhang

    2009-01-01

    Biotic homogenization is the process whereby the genetic, taxonomic and functional similarity of two or more biotas increases over time. As a new research agenda for conservation biogeography, biotic homogenization has become a rapidly emerging topic of interest in ecology and evolution over the past decade. However, research on this topic is rare in China. Herein, we introduce the development of the concept of biotic homogenization, and then discuss methods to quantify its three components (...

  20. 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

  1. 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.

  2. A plug flow model for chemical reactions and aerosol nucleation and growth in an alkali-containing flue gas

    DEFF Research Database (Denmark)

    Christensen, K. A.; Livbjerg, Hans

    2000-01-01

    multicomponent growth models are treated. The local gas phase composition is determined from a gas phase chemical equilibrium calculation combined with finite reaction rate kinetics for slower reactions. The model is useful in the analysis of boiler operation with respect to the formation of particles, HCl, SO2......The paper presents a numerical model for the simulation of gas to particle conversion and the chemical changes during cooling of a flue gas from the combustion of fuels rich in volatile alkali species. For the homogeneous nucleation of alkali species the model uses the classical theory modified...

  3. Viral lysis of photosynthesizing microbes as a mechanism for calcium carbonate nucleation in seawater

    Science.gov (United States)

    Lisle, John T.; Robbins, Lisa L.

    2016-01-01

    Removal of carbon through the precipitation and burial of calcium carbonate in marine sediments constitutes over 70% of the total carbon on Earth and is partitioned between coastal and pelagic zones. The precipitation of authigenic calcium carbonate in seawater, however, has been hotly debated because despite being in a supersaturated state, there is an absence of persistent precipitation. One of the explanations for this paradox is the geochemical conditions in seawater cannot overcome the activation energy barrier for the first step in any precipitation reaction; nucleation. Here we show that virally induced rupturing of photosynthetic cyanobacterial cells releases cytoplasmic-associated bicarbonate at concentrations ~23-fold greater than in the surrounding seawater, thereby shifting the carbonate chemistry toward the homogenous nucleation of one or more of the calcium carbonate polymorphs. Using geochemical reaction energetics, we show the saturation states (Ω) in typical seawater for calcite (Ω = 4.3), aragonite (Ω = 3.1), and vaterite (Ω = 1.2) are significantly elevated following the release and diffusion of the cytoplasmic bicarbonate (Ωcalcite = 95.7; Ωaragonite = 68.5; Ωvaterite = 25.9). These increases in Ω significantly reduce the activation energy for nuclei formation thresholds for all three polymorphs, but only vaterite nucleation is energetically favored. In the post-lysis seawater, vaterite's nuclei formation activation energy is significantly reduced from 1.85 × 10−17 J to 3.85 × 10−20 J, which increases the nuclei formation rate from highly improbable (seawater describes a mechanism through which the initial step in the production of carbonate sediments may proceed. It also presents an additional role of photosynthesizing microbes and their viruses in marine carbon cycles and reveals these microorganisms are a collective repository for concentrated and reactive dissolved inorganic carbon (DIC) that is currently not accounted for

  4. Hybrid diffusion–transport spatial homogenization method

    International Nuclear Information System (INIS)

    Kooreman, Gabriel; Rahnema, Farzad

    2014-01-01

    Highlights: • A new hybrid diffusion–transport homogenization method. • An extension of the consistent spatial homogenization (CSH) transport method. • Auxiliary cross section makes homogenized diffusion consistent with heterogeneous diffusion. • An on-the-fly re-homogenization in transport. • The method is faster than fine-mesh transport by 6–8 times. - Abstract: A new hybrid diffusion–transport homogenization method has been developed by extending the consistent spatial homogenization (CSH) transport method to include diffusion theory. As in the CSH method, an “auxiliary cross section” term is introduced into the source term, making the resulting homogenized diffusion equation consistent with its heterogeneous counterpart. The method then utilizes an on-the-fly re-homogenization in transport theory at the assembly level in order to correct for core environment effects on the homogenized cross sections and the auxiliary cross section. The method has been derived in general geometry and tested in a 1-D boiling water reactor (BWR) core benchmark problem for both controlled and uncontrolled configurations. The method has been shown to converge to the reference solution with less than 1.7% average flux error in less than one third the computational time as the CSH method – 6 to 8 times faster than fine-mesh transport

  5. Instantaneous Kinematics Analysis via Screw-Theory of a Novel 3-CRC Parallel Mechanism

    Directory of Open Access Journals (Sweden)

    Hussein de la Torre

    2016-06-01

    Full Text Available This paper presents the mobility and kinematics analysis of a novel parallel mechanism that is composed by one base, one platform and three identical limbs with CRC joints. The paper obtains closed-form solutions to the direct and inverse kinematics problems, and determines the mobility of the mechanism and instantaneous kinematics by applying screw theory. The obtained results show that this parallel robot is part of the family 2R1T, since the platform shows 3 DOF, i.e.: one translation perpendicular to the base and two rotations about skew axes. In order to calculate the direct instantaneous kinematics, this paper introduces the vector mh, which is part of the joint velocity vector that multiplies the overall inverse Jacobian matrix. This paper compares the results between simulations and numerical examples using Mathematica and SolidWorks in order to prove the accuracy of the analytical results.

  6. Instantaneous nonlinear assessment of complex cardiovascular dynamics by Laguerre-Volterra point process models.

    Science.gov (United States)

    Valenza, Gaetano; Citi, Luca; Barbieri, Riccardo

    2013-01-01

    We report an exemplary study of instantaneous assessment of cardiovascular dynamics performed using point-process nonlinear models based on Laguerre expansion of the linear and nonlinear Wiener-Volterra kernels. As quantifiers, instantaneous measures such as high order spectral features and Lyapunov exponents can be estimated from a quadratic and cubic autoregressive formulation of the model first order moment, respectively. Here, these measures are evaluated on heartbeat series coming from 16 healthy subjects and 14 patients with Congestive Hearth Failure (CHF). Data were gathered from the on-line repository PhysioBank, which has been taken as landmark for testing nonlinear indices. Results show that the proposed nonlinear Laguerre-Volterra point-process methods are able to track the nonlinear and complex cardiovascular dynamics, distinguishing significantly between CHF and healthy heartbeat series.

  7. A New MPPT Control for Photovoltaic Panels by Instantaneous Maximum Power Point Tracking

    Science.gov (United States)

    Tokushima, Daiki; Uchida, Masato; Kanbei, Satoshi; Ishikawa, Hiroki; Naitoh, Haruo

    This paper presents a new maximum power point tracking control for photovoltaic (PV) panels. The control can be categorized into the Perturb and Observe (P & O) method. It utilizes instantaneous voltage ripples at PV panel output terminals caused by the switching of a chopper connected to the panel in order to identify the direction for the maximum power point (MPP). The tracking for the MPP is achieved by a feedback control of the average terminal voltage of the panel. Appropriate use of the instantaneous and the average values of the PV voltage for the separate purposes enables both the quick transient response and the good convergence with almost no ripples simultaneously. The tracking capability is verified experimentally with a 2.8 W PV panel under a controlled experimental setup. A numerical comparison with a conventional P & O confirms that the proposed control extracts much more power from the PV panel.

  8. Instantaneous strain measurements during high-temperature stress cycling of a dispersion-strengthened niobium alloy

    International Nuclear Information System (INIS)

    Farkas, D.M.; Mishra, R.S.; Mukherjee, A.K.

    1995-01-01

    Experimental results obtained from stress cycling tests performed during high-temperature creep of a dispersion strengthened niobium alloy indicate that the instantaneous strain following the stress change decreases with accumulated strain. The true work-hardening rate was shown to be a small fraction of the elastic modulus which remained fairly constant throughout the strain history. The instantaneous strain change from a stress addition was typically greater than the strain from the corresponding stress reduction. This effect is quite pronounced for small stress changes and diminishes as the magnitude of the stress change increases. This implies that the mobility of dislocations is impeded in the reverse direction unless the magnitude of stress reduction exceeds the value of the internal stress

  9. Instantaneous Non-Local Computation of Low T-Depth Quantum Circuits

    DEFF Research Database (Denmark)

    Speelman, Florian

    2016-01-01

    -depth of a quantum circuit, able to perform non-local computation of quantum circuits with a (poly-)logarithmic number of layers of T gates with quasi-polynomial entanglement. Our proofs combine ideas from blind and delegated quantum computation with the garden-hose model, a combinatorial model of communication......Instantaneous non-local quantum computation requires multiple parties to jointly perform a quantum operation, using pre-shared entanglement and a single round of simultaneous communication. We study this task for its close connection to position-based quantum cryptography, but it also has natural...... applications in the context of foundations of quantum physics and in distributed computing. The best known general construction for instantaneous non-local quantum computation requires a pre-shared state which is exponentially large in the number of qubits involved in the operation, while efficient...

  10. Gradient for the acoustic VTI full waveform inversion based on the instantaneous traveltime sensitivity kernels

    KAUST Repository

    Djebbi, Ramzi

    2015-08-19

    The instantaneous traveltime is able to reduce the non-linearity of full waveform inversion (FWI) that originates from the wrapping of the phase. However, the adjoint state method in this case requires a total of 5 modeling calculations to compute the gradient. Also, considering the larger modeling cost for anisotropic wavefield extrapolation and the necessity to use a line-search algorithm to estimate a step length that depends on the parameters scale, we propose to calculate the gradient based on the instantaneous traveltime sensitivity kernels. We, specifically, use the sensitivity kernels computed using dynamic ray-tracing to build the gradient. The resulting update is computed using a matrix decomposition and accordingly the computational cost is reduced. We consider a simple example where an anomaly is embedded into a constant background medium and we compute the update for the VTI wave equation parameterized using vh, η and ε.

  11. Instantaneous spectrum estimation of earthquake ground motions based on unscented Kalman filter method

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Representing earthquake ground motion as time varying ARMA model, the instantaneous spectrum can only be determined by the time varying coefficients of the corresponding ARMA model. In this paper, unscented Kalman filter is applied to estimate the time varying coefficients. The comparison between the estimation results of unscented Kalman filter and Kalman filter methods shows that unscented Kalman filter can more precisely represent the distribution of the spectral peaks in time-frequency plane than Kalman filter, and its time and frequency resolution is finer which ensures its better ability to track the local properties of earthquake ground motions and to identify the systems with nonlinearity or abruptness. Moreover, the estimation results of ARMA models with different orders indicate that the theoretical frequency resolving power ofARMA model which was usually ignored in former studies has great effect on the estimation precision of instantaneous spectrum and it should be taken as one of the key factors in order selection of ARMA model.

  12. Design of Instantaneous High Power Supply System with power distribution management for portable military devices

    Science.gov (United States)

    Kwak, Kiho; Kwak, Dongmin; Yoon, Joohong

    2015-08-01

    A design of an Instantaneous High Power Supply System (IHPSS) with a power distribution management (PDM) for portable military devices is newly addressed. The system includes a power board and a hybrid battery that can not only supply instantaneous high power but also maintain stable operation at critical low temperature (-30 °C). The power leakage and battery overcharge are effectively prevented by the optimal PDM. The performance of the proposed system under the required pulse loads and the operating conditions of a Korean Advanced Combat Rifle employed in the battlefield is modeled with simulations and verified experimentally. The system with the IHPSS charged the fuse setter with 1.7 times higher voltage (8.6 V) than the one without (5.4 V) under the pulse discharging rate (1 A at 0.5 duty, 1 ms) for 500 ms.

  13. Gradient for the acoustic VTI full waveform inversion based on the instantaneous traveltime sensitivity kernels

    KAUST Repository

    Djebbi, Ramzi; Alkhalifah, Tariq Ali

    2015-01-01

    The instantaneous traveltime is able to reduce the non-linearity of full waveform inversion (FWI) that originates from the wrapping of the phase. However, the adjoint state method in this case requires a total of 5 modeling calculations to compute the gradient. Also, considering the larger modeling cost for anisotropic wavefield extrapolation and the necessity to use a line-search algorithm to estimate a step length that depends on the parameters scale, we propose to calculate the gradient based on the instantaneous traveltime sensitivity kernels. We, specifically, use the sensitivity kernels computed using dynamic ray-tracing to build the gradient. The resulting update is computed using a matrix decomposition and accordingly the computational cost is reduced. We consider a simple example where an anomaly is embedded into a constant background medium and we compute the update for the VTI wave equation parameterized using vh, η and ε.

  14. 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...

  15. Nacre biomineralisation: A review on the mechanisms of crystal nucleation.

    Science.gov (United States)

    Nudelman, Fabio

    2015-10-01

    The wide diversity of biogenic minerals that is found in nature, each with its own morphology, mechanical properties and composition, is remarkable. In order to produce minerals that are optimally adapted for their function, biomineralisation usually occurs under strict cellular control. This control is exerted by specialised proteins and polysaccharides that assemble into a 3-dimensional organic matrix framework, forming a microenvironment where mineral deposition takes place. Molluscs are unique in that they use a striking variety of structural motifs to build their shells, each made of crystals with different morphologies and different calcium carbonate polymorphs. Much of want is known about mollusc shell formation comes from studies on the nacreous layer, or mother-of-pearl. In this review, we discuss two existing models on the nucleation of aragonite crystals during nacre formation: heteroepitaxial nucleation and mineral bridges. The heteroepitaxial nucleation model is based on the identification of chemical functional groups and aragonite-nucleating proteins at the centre of crystal imprints. It proposes that during nacre formation, each aragonite tablet nucleates independently on a nucleation site that is formed by acidic proteins and/or glycoproteins adsorbed on the chitin scaffold. The mineral bridges model is based on the identification of physical connections between the crystals in a stack, which results in a large number of crystals across several layers sharing the same crystallographic orientation. These observations suggest that there is one nucleation event per stack of tablets. Once the first crystal nucleates and reaches the top interlamellar matrix, it continues growing through pores, giving rise to the next layer of nacre, subsequently propagating into a stack. We compare both models and propose that they work in concert to control crystal nucleation in nacre. De novo crystal nucleation has to occur at least once per stack of aligned crystals

  16. Nucleation at hardness indentations in cold rolled Al

    DEFF Research Database (Denmark)

    Xu, C.L.; Zhang, Yubin; Wu, G.L.

    2015-01-01

    Nucleation of recrystallization near hardness indentations has been investigated in slightly cold rolled high purity aluminium. Samples were cold rolled to 12% and 20% reductions in thickness and indentations were done with two different loads (500 g and 2000 g). The samples were annealed at 300 °C...... for 1 h and nuclei were identified. It is found that the indentations are preferential nucleation sites. With EBSD maps around indentation tips, the orientation relationship between nuclei and matrix is analyzed. Finally, effects of rolling reduction and indentation load on local misorientations...... and stored energy distributions and thus on nucleation are discussed....

  17. Non-self-averaging nucleation rate due to quenched disorder

    International Nuclear Information System (INIS)

    Sear, Richard P

    2012-01-01

    We study the nucleation of a new thermodynamic phase in the presence of quenched disorder. The quenched disorder is a generic model of both impurities and disordered porous media; both are known to have large effects on nucleation. We find that the nucleation rate is non-self-averaging. This is in a simple Ising model with clusters of quenched spins. We also show that non-self-averaging behaviour is straightforward to detect in experiments, and may be rather common. (fast track communication)

  18. 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

  19. Homogeneous droplet nucleation modeled using the gradient theory combined with the PC-SAFT equation of state

    Directory of Open Access Journals (Sweden)

    Vinš Václav

    2013-04-01

    Full Text Available In this work, we used the density gradient theory (DGT combined with the cubic equation of state (EoS by Peng and Robinson (PR and the perturbed chain (PC modification of the SAFT EoS developed by Gross and Sadowski [1]. The PR EoS is based on very simplified physical foundations, it has significant limitations in the accuracy of the predicted thermodynamic properties. On the other hand, the PC-SAFT EoS combines different intermolecular forces, e.g., hydrogen bonding, covalent bonding, Coulombic forces which makes it more accurate in predicting of the physical variables. We continued in our previous works [2,3] by solving the boundary value problem which arose by mathematical solution of the DGT formulation and including the boundary conditions. Achieving the numerical solution was rather tricky; this study describes some of the crucial developments that helped us to overcome the partial problems. The most troublesome were computations for low temperatures where we achieved great improvements compared to [3]. We applied the GT for the n-alkanes: nheptane, n-octane, n-nonane, and n-decane because of the availability of the experimental data. Comparing them with our numerical results, we observed great differences between the theories; the best results gave the combination of the GT and the PC-SAFT. However, a certain temperature drift was observed that is not satisfactorily explained by the present theories.

  20. The Carrier Gas Pressure Effect in a Laminar Flow Diffusion Chamber, Homogeneous Nucleation of n-Butanol in Helium

    Czech Academy of Sciences Publication Activity Database

    Hyvärinen, A-P.; Brus, David; Ždímal, Vladimír; Smolík, Jiří; Kulmala, M.; Viisanen, V.; Lihavainen, H.

    2006-01-01

    Roč. 124, č. 22 (2006), Art. No. 224304 ISSN 0021-9606 R&D Projects: GA AV ČR(CZ) IAA2076203 Institutional research plan: CEZ:AV0Z40720504 Keywords : supersaturated vapor * cloud chamber * background gas es Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.166, year: 2006