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Sample records for nucleation centers sintesis

  1. Elastic model of a dislocation center for martensite nucleation

    SciTech Connect

    Vereshchagin, V.P.; Kashchenko, M.P.

    1995-01-01

    The possibility of spontaneous nucleation of a crystal of new phase when the original structure is metastable is usually connected with the catalyzing effect of defects playing the role of nucleation centers. In the case of the {gamma}{r_arrow}{alpha} martensite transformation in iron alloys, even individual dislocations can act as such defects, based on analysis of long-range elastic fields of isolated linear dislocations in a linearly elastic anisotropic continuum, the authors established the existence of a correlation between the geometric characteristics of the elastically deformed state in the vicinity of 60-degree and 30-degree dislocations and the structure and morphological characteristics of {alpha}-martensite observed in massive iron alloy samples. These results suggest that the dislocation affects the pathway of the martensite reaction and allows the authors to say that the specific characteristics of heterogeneous nucleation of new phase for the martensite mechanism of the {gamma}{r_arrow}{alpha} transformation involves singling out a single structural rearrangement variant which is suitable from the standpoint of adapation of the transforming lattice to the characteristic features of the elastically deformed state created by the dislocation. The possibilities for such adaption are limited by the crystallography of the transformation and the reactions of the surrounding austenite occurring when regular connections exist with the morphological characteristics of the martensite crystal, and are not necessarily compatible with the individual features of the elastic field of each dislocation. Considering this, the authors can introduce the concept of a dislocation center for nucleation of a martensite crystal about the region of the dislocation where conditions are realized which are favorable for the formation of a nucleus of martensite crystal of a certain shape and orientation, and they can develop an elastic model corresponding to this concept.

  2. Direct Imaging of the Spatial and Energy Distribution of Nucleation Centers in Ferroelectric Materials

    SciTech Connect

    Jesse, Stephen; Rodriguez, Brian J; Choudhury, S; Baddorf, Arthur P; Vrejoiu, I.; Hesse, D.; Alexe, M.; Eliseev, E. A.; Morozovska, A. N.; Zhang, J; Chen, L. Q.; Kalinin, Sergei V

    2008-01-01

    Macroscopic ferroelectric polarization switching, similar to other first order phase transitions, is controlled by nucleation centers. Despite 50 years of extensive theoretical and experimental effort, the microstructural origins of the Landauer paradox, i.e. the experimentally observed low values of coercive fields in ferroelectrics corresponding to implausibly large nucleation activation energies, are still a mystery. In this letter, we develop an approach to visualize the nucleation centers controlling polarization switching processes with nanometer resolution, determine their spatial and energy distribution, and correlate them to local microstructure. The random bond and random field components of the disorder potential are extracted from positive and negative nucleation biases. Observation of enhanced nucleation activity at the 90 domain wall boundaries and intersections combined with phase-field modeling identifies them as a class of nucleation centers that control switching in structural-defect free materials.

  3. Void nucleation in biaxially strained ultrathin films of face-centered cubic metals

    NASA Astrophysics Data System (ADS)

    Kolluri, Kedarnath; Gungor, M. Rauf; Maroudas, Dimitrios

    2007-05-01

    We report an analysis of void nucleation as a relaxation mechanism in freestanding biaxially strained ultrathin films of face-centered cubic metals based on large-scale molecular-dynamics simulations. Above a critical strain level, multiple threading dislocations are emitted from the film surface. The surface step traces formed by gliding dislocations on intersecting and on adjacent parallel glide planes lead to formation and growth of surface pits and grooves, while vacancies form due to gliding of jogged dislocations and dislocation intersections. Coalescence of the surface pits with vacancy clusters is the precursor to the formation of a larger void extending across the film.

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

    NASA Astrophysics Data System (ADS)

    Paraskevov, A. V.; Zendrikov, D. K.

    2017-04-01

    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.

  5. YY1 tethers Xist RNA to the inactive X nucleation center

    PubMed Central

    Jeon, Yesu; Lee, Jeannie T.

    2011-01-01

    SUMMARY The long noncoding Xist RNA inactivates one X-chromosome in the female mammal. Current models posit that Xist induces silencing as it spreads along X and recruits Polycomb complexes. However, the mechanisms for Xist loading and spreading are currently unknown. Here, we define the nucleation center for Xist RNA and show that YY1 docks Xist particles onto the X chromosome. YY1 is a ‘bivalent’ protein, capable of binding both RNA and DNA through different sequence motifs. Xist’s exclusive attachment to the inactive X is determined by an epigenetically regulated trio of YY1 sites as well as allelic origin. Specific YY1-to-RNA and YY1-to-DNA contacts are required to load Xist particles onto X. YY1 interacts with Xist RNA through Repeat C. We propose that YY1 acts as adaptor between regulatory RNA and chromatin targets. PMID:21729784

  6. Selective deposition of polycrystalline diamond films using photolithography with addition of nanodiamonds as nucleation centers

    NASA Astrophysics Data System (ADS)

    Okhotnikov, V. V.; Linnik, S. A.; Gaidaichuk, A. V.; Shashev, D. V.; Nazarova, G. Yu; Yurchenko, V. I.

    2016-02-01

    A new method of selective deposition of polycrystalline diamond has been developed and studied. The diamond coatings with a complex, predetermined geometry and resolution up to 5 μm were obtained. A high density of polycrystallites in the coating area was reached (up to 32·107 pcs/cm2). The uniformity of the film reached 100%, and the degree of the surface contamination by parasitic crystals did not exceed 2%. The technology was based on the application of the standard photolithography with an addition of nanodiamond suspension into the photoresist that provided the creation of the centers of further nucleation in the areas which require further overgrowth. The films were deposited onto monocrystalline silicon substrates using the method of “hot filaments” in the CVD reactor. The properties of the coating and the impact of the nanodiamond suspension concentration in the photoresist were also studied. The potential use of the given method includes a high resolution, technological efficiency, and low labor costs compared to the standard methods (laser treatment, chemical etching in aggressive environments,).

  7. Ice-Nucleating Bacteria

    NASA Astrophysics Data System (ADS)

    Obata, Hitoshi

    Since the discovery of ice-nucleating bacteria in 1974 by Maki et al., a large number of studies on the biological characteristics, ice-nucleating substance, ice nucleation gene and frost damage etc. of the bacteria have been carried out. Ice-nucleating bacteria can cause the freezing of water at relatively warm temperature (-2.3°C). Tween 20 was good substrates for ice-nucleating activity of Pseudomonas fluorescens KUIN-1. Major fatty acids of Isolate (Pseudomonas fluorescens) W-11 grown at 30°C were palmitic, cis-9-hexadecenoic and cis-11-octadecenoic which amounted to 90% of the total fatty acids. Sequence analysis shows that an ice nucleation gene from Pseudomonas fluorescens is related to the gene of Pseudomonas syringae.

  8. Nucleation of shear bands in amorphous alloys

    PubMed Central

    Perepezko, John H.; Imhoff, Seth D.; Chen, Ming-Wei; Wang, Jun-Qiang; Gonzalez, Sergio

    2014-01-01

    The initiation and propagation of shear bands is an important mode of localized inhomogeneous deformation that occurs in a wide range of materials. In metallic glasses, shear band development is considered to center on a structural heterogeneity, a shear transformation zone that evolves into a rapidly propagating shear band under a shear stress above a threshold. Deformation by shear bands is a nucleation-controlled process, but the initiation process is unclear. Here we use nanoindentation to probe shear band nucleation during loading by measuring the first pop-in event in the load–depth curve which is demonstrated to be associated with shear band formation. We analyze a large number of independent measurements on four different bulk metallic glasses (BMGs) alloys and reveal the operation of a bimodal distribution of the first pop-in loads that are associated with different shear band nucleation sites that operate at different stress levels below the glass transition temperature, Tg. The nucleation kinetics, the nucleation barriers, and the density for each site type have been determined. The discovery of multiple shear band nucleation sites challenges the current view of nucleation at a single type of site and offers opportunities for controlling the ductility of BMG alloys. PMID:24594599

  9. Diamond nucleation using polyethene

    SciTech Connect

    Morell, Gerardo; Makarov, Vladimir; Varshney, Deepak; Weiner, Brad

    2013-07-23

    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.

  10. Diamond Nucleation Using Polyethene

    NASA Technical Reports Server (NTRS)

    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.

  11. Effect of La{sub 2}O{sub 3}, CoO, Cr{sub 2}O{sub 3} and MoO{sub 3} nucleating agents on crystallization behavior and magnetic properties of ferromagnetic glass-ceramic in the system Fe{sub 2}O{sub 3}{center_dot}CaO{center_dot}ZnO{center_dot}SiO{sub 2}

    SciTech Connect

    Abdel-Hameed, Salwa A.M.; Elwan, Rawhia L.

    2012-05-15

    Highlights: Black-Right-Pointing-Pointer Crystallization of magnetic glass ceramic with different nucleating agents. Black-Right-Pointing-Pointer The effect of La{sub 2}O{sub 3}, CoO, Cr{sub 2}O{sub 3} and MoO{sub 3} as nucleating agents was studied. Black-Right-Pointing-Pointer XRD for as prepared samples revealed crystallization of pure magnetite. Black-Right-Pointing-Pointer Heat treatment revealed minor calcium silicate, hematite and cristobalite. Black-Right-Pointing-Pointer TEM revealed crystallization of crystallite size in the range 50-100 nm. -- Abstract: Preparation and characterization of ferromagnetic glass ceramic in the system Fe{sub 2}O{sub 3}{center_dot}CaO{center_dot}ZnO{center_dot}SiO{sub 2} with different nucleating agents was studied. The effect of La{sub 2}O{sub 3}, CoO, Cr{sub 2}O{sub 3} and MoO{sub 3} as nucleating agents was investigated. Differential thermal analysis; X-ray diffraction and transmission electron microscope were used to investigate thermal behavior, sequence of crystallization and microstructure of the samples. XRD analysis for as prepared samples revealed the crystallization of single magnetite phase. Heat treatment at 900 Degree-Sign C/2 h revealed the appearance of minor amounts of calcium silicate, hematite and cristobalite beside magnetite. TEM revealed crystallization of crystallite size in the range 50-100 nm. Lattice parameters, cell volume and crystallite size were stimulated from XRD data. Magnetic properties of quenched samples were measured under 20 kG.

  12. Nucleation and Crystallization in nucleated Polymers

    NASA Astrophysics Data System (ADS)

    Schick, Christoph; Zhuravlev, Evgeny; Wurm, Andreas

    2012-02-01

    Crystallization is commonly considered as nucleation followed by a growth process. Here we apply the recently developed technique, differential fast scanning calorimetry (DFSC), for a unique, new look at the crystal growth of poly(epsilon-caprolactone) (PCL) and PCL carbon nanotube composites from 185 K, below the glass transition temperature, to 330 K, close to the equilibrium melting temperature. The DFSC allows temperature control of the sample and determination of its heat capacity during temperature treatments by employing cooling and heating rates from 50 to 50,000 K/s. First, the crystal nucleation and overall crystallization half times were determined simultaneously in the range of temperatures where crystallization of PCL occurs. After attempting to analyze the experiments with the classical nucleation and growth model a new methodology is described, which addresses the specific problems of crystallization of flexible linear macromolecules. The structures seem to range from having practically unmeasurable latent heats of ordering (nuclei) to being clearly-recognizable, ordered species with rather sharp disordering endotherms at temperatures from the glass transition to equilibrium melting (increasingly perfect and larger crystals). The mechanisms and kinetics of growth (if any) involve a detailed understanding of the interaction with the surrounding rigid amorphous fraction (RAF) in dependence of crystal size and perfection. E. Zhuravlev, J.W.P. Schmelzer, B. Wunderlich and C. Schick, Kinetics of nucleation and crystallization in poly(epsilon-caprolactone) (PCL), Polymer 52 (2011) 1983-1997.

  13. Vapor liquid solid-hydride vapor phase epitaxy (VLS-HVPE) growth of ultra-long defect-free GaAs nanowires: Ab initio simulations supporting center nucleation

    SciTech Connect

    André, Yamina Lekhal, Kaddour; Hoggan, Philip; Avit, Geoffrey; Réda Ramdani, M.; Monier, Guillaume; Colas, David; Ajib, Rabih; Castelluci, Dominique; Gil, Evelyne; Cadiz, Fabian; Rowe, Alistair; Paget, Daniel; Petit, Elodie; Leroux, Christine; Trassoudaine, Agnès

    2014-05-21

    High aspect ratio, rod-like and single crystal phase GaAs nanowires (NWs) were grown by gold catalyst-assisted hydride vapor phase epitaxy (HVPE). High resolution transmission electron microscopy and micro-Raman spectroscopy revealed polytypism-free zinc blende (ZB) NWs over lengths of several tens of micrometers for a mean diameter of 50 nm. Micro-photoluminescence studies of individual NWs showed linewidths smaller than those reported elsewhere which is consistent with the crystalline quality of the NWs. HVPE makes use of chloride growth precursors GaCl of which high decomposition frequency after adsorption onto the liquid droplet catalysts, favors a direct and rapid introduction of the Ga atoms from the vapor phase into the droplets. High influxes of Ga and As species then yield high axial growth rate of more than 100 μm/h. The diffusion of the Ga atoms in the liquid droplet towards the interface between the liquid and the solid nanowire was investigated by using density functional theory calculations. The diffusion coefficient of Ga atoms was estimated to be 3 × 10{sup −9} m{sup 2}/s. The fast diffusion of Ga in the droplet favors nucleation at the liquid-solid line interface at the center of the NW. This is further evidence, provided by an alternative epitaxial method with respect to metal-organic vapor phase epitaxy and molecular beam epitaxy, of the current assumption which states that this type of nucleation should always lead to the formation of the ZB cubic phase.

  14. Nucleation in food colloids

    NASA Astrophysics Data System (ADS)

    Povey, Malcolm J. W.

    2016-12-01

    Nucleation in food colloids has been studied in detail using ultrasound spectroscopy. Our data show that classical nucleation theory (CNT) remains a sound basis from which to understand nucleation in food colloids and analogous model systems using n-alkanes. Various interpretations and modifications of CNT are discussed with regard to their relevance to food colloids. Much of the evidence presented is based on the ultrasound velocity spectrometry measurements which has many advantages for the study of nucleating systems compared to light scattering and NMR due to its sensitivity at low solid contents and its ability to measure true solid contents in the nucleation and early crystal growth stages. Ultrasound attenuation spectroscopy also responds to critical fluctuations in the induction region. We show, however, that a periodic pressure fluctuation such as a quasi-continuous (as opposed to a pulse comprising only a few pressure cycles) ultrasound field can alter the nucleation process, even at very low acoustic intensity. Thus care must be taken when using ultrasound techniques that the measurements do not alter the studied processes. Quasi-continuous ultrasound fields may enhance or suppress nucleation and the criteria to determine such effects are derived. The conclusions of this paper are relevant to colloidal systems in foods, pharmaceuticals, agro-chemicals, cosmetics, and personal products.

  15. Nonequilibrium thermodynamics of nucleation

    SciTech Connect

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

    2014-12-14

    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 metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  16. Nonequilibrium thermodynamics of nucleation.

    PubMed

    Schweizer, M; Sagis, L M C

    2014-12-14

    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 metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  17. Nonequilibrium thermodynamics of nucleation

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

    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 metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  18. Assembly of a homochiral, body-centered cubic network composed of vertex-shared Mg12 cages: use of electrospray ionization mass spectrometry to monitor metal carboxylate nucleation.

    PubMed

    Rood, Jeffrey A; Boggess, William C; Noll, Bruce C; Henderson, Kenneth W

    2007-11-07

    Reaction of Mg(NO3)2.6H2O with (+)-camphoric acid (H2cam) in acetonitrile results in the immediate formation of soluble, dimetallic [Mg2(Hcam)3]+ cations. The formation of these stable cations in solution was determined by electrospray ionization mass spectrometry (ESI-MS). These dimers are 3-fold paddle-wheels, which associate together through the neutral acid units to build the metal-organic framework [Mg2(Hcam)3.3H2O].NO3.MeCN, 1. The network consists of a series of fused Mg12 cages that have 12 water molecules at their centers, creating isolated 0D cavities within the structure. Overall, the extended structure of 1 is a body-centered cubic (bcu) lattice, with the Mg12 cages being utilized as eight-connected nodes. The framework of 1 is chiral and adopts the very unusual space group I23. Use of 1,3-propanediol as an additive results in the formation of the simple 1D polymer [Mg(cam){HO(CH2)3OH}2], 2. In 2, each carboxylate-bridged metal center is chelated by two diols. ESI-MS studies confirm the formation of new ions in these solutions. The identities of 1 and 2 were confirmed by a combination of single-crystal X-ray diffraction, elemental analyses, IR, NMR, themogravimetric analyses, and ESI-MS data. ESI-MS has proven to be a valuable technique in the identification of stable SBUs in solution prior to network formation.

  19. Gas Hydrate Nucleation Processes

    NASA Astrophysics Data System (ADS)

    David, R. E.; Zatsepina, O.; Phelps, T. J.

    2003-12-01

    The onset of gas hydrate nucleation is greatly affected by the thermal history of the water that forms its lattice structure. Hydrate formation experiments were performed in a 72 liter pressure vessel by bubbling carbon dioxide through a 1 liter column at hydrate formation pressures (1.4 to 3.7 MPa) and temperatures (275.0 to 278.0 K) to quantify this effect. They show that when even a fraction ( e. g. 20 %) of the water in which hydrate has formed was recently frozen and thawed, the overpressurization for nucleation was reduced by an average of 50 % versus experiments performed in distilled water. In those experiments where a lower overpressure is present when hydrate nucleated, they tended to form on the surface of bubbles, whereas when a higher amount of overpressure was necessary for hydrate to nucleate, they appeared to form abruptly on bubble surfaces as well as from the bulk liquid phase. In approximation of classical nucleation, hydrate formation could be described as occurring by the spontaneous joining together of arising components of the hydrate lattice. In water that was frozen, and kept at a low temperature (< 275 K), molecular simulation models predict the predominance of water molecules organized as penatmeters, a possible subunit of the hydrate lattice. Our results suggest that in nature, initiation of hydrate formation may be strongly influenced by temperature dependant pre-structuring of water molecules prior to their contact with gas.

  20. Homogeneous nucleation kinetics

    NASA Technical Reports Server (NTRS)

    Rasmussen, D. H.; Appleby, M. R.; Leedom, G. L.; Babu, S. V.; Naumann, R. J.

    1983-01-01

    Homogeneous nucleation kinetics are rederived in a manner fundamentally similar to the approach of classical nucleation theory with the following modifications and improvements. First, the cluster is a parent phase cluster and does not require energization to the parent state. Second, the thermodynamic potential used to describe phase stability is a continuous function along the pathway of phase decomposition. Third, the kinetics of clustering corresponds directly to the diffusional flux of monomers through the cluster distribution and are formally similar to classical theory with the resulting kinetic equation modified by two terms in the preexponential factor. These terms correct for the influence of a supersaturation dependent clustering within the parent phase and for the influence of an asymmetrical cluster concentration as a function of cluster size at the critical cluster size. Fourth, the supersaturation dependence of the nucleation rate is of the same form as that given by classical nucleation theory. This supersaturation dependence must however be interpreted in terms of a size dependent surface tension. Finally, there are two scaling laws which describe supersaturation to either constant nucleation rate or to the thermodynamically determined physical spinodal.

  1. Dimers in nucleating vapors

    NASA Astrophysics Data System (ADS)

    Lushnikov, A. A.; Kulmala, M.

    1998-09-01

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

  2. Colloids and Nucleation

    NASA Technical Reports Server (NTRS)

    Ackerson, Bruce

    1997-01-01

    The objectives of the work funded under this grant were to develop a microphotographic technique and use it to monitor the nucleation and growth of crystals of hard colloidal spheres. Special attention is given to the possible need for microgravity studies in future experiments. A number of persons have been involved in this work. A masters student, Keith Davis, began the project and developed a sheet illumination apparatus and an image processing system for detection and analysis. His work on a segmentation program for image processing was sufficient for his master's research and has been published. A post doctoral student Bernie Olivier and a graduate student Yueming He, who originally suggested the sheet illumination, were funded by another source but along with Keith made photographic series of several samples (that had been made by Keith Davis). Data extraction has been done by Keith, Bernie, Yueming and two undergraduates employed on the grant. Results are published in Langmuir. These results describe the sheet lighting technique as one which illuminates not only the Bragg scattering crystal, but all the crystals. Thus, accurate crystal counts can be made for nucleation rate measurements. The strange crystal length scale reduction, observed in small angle light scattering (SALS) studies, following the initial nucleation and growth period, has been observed directly. The Bragg scattering (and dark) crystal size decreases in the crossover region. This could be an effect due to gravitational forces or due to over- compression of the crystal during growth. Direct observations indicate a complex morphology for the resulting hard sphere crystals. The crystal edges are fairly sharp but the crystals have a large degree of internal structure. This structure is a result of (unstable) growth and not aggregation. As yet unpublished work compares growth exponents data with data obtained by SALS. The nucleation rate density is determined over a broad volume fraction range

  3. Nucleation of electrically charged droplets

    NASA Technical Reports Server (NTRS)

    De, B. R.

    1979-01-01

    The nucleating droplets or clusters in many nucleation environments (various colloidal plasmas in laboratory and technological applications, astrophysical condensation environments, etc.) are likely to be at a finite electric potential. This may be due either to the presence of electrons and ions in the gas phase or to the thermal ionization or photoionization of the droplets. The paper demonstrates that this potential may introduce a nontrivial modification in the conventional nucleation theory. Some results for the typical case of nucleation of water droplets are presented. The general conclusion is that the electric potential makes nucleation harder to achieve, thereby demonstrating the importance of a finite droplet potential in the theory of nucleation.

  4. Overview: Nucleation of clathrate hydrates

    NASA Astrophysics Data System (ADS)

    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.

  5. Nucleation in Synoptically Forced Cirrostratus

    NASA Technical Reports Server (NTRS)

    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.

  6. On the Ice Nucleation Spectrum

    NASA Technical Reports Server (NTRS)

    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

  7. Surface Nanobubbles Nucleate Microdroplets

    NASA Astrophysics Data System (ADS)

    Zhang, Xuehua; Lhuissier, Henri; Sun, Chao; Lohse, Detlef

    2014-04-01

    When a hydrophobic solid is in contact with water, surface nanobubbles often form at the interface. They have a lifetime many orders of magnitude longer than expected. Here, we show that they even withstand a temperature increase to temperatures close to the boiling point of bulk water; i.e., they do not nucleate larger bubbles ("superstability"). On the contrary, when the vapor-liquid contact line passes a nanobubble, a liquid film remains around it, which, after pinch-off, results in a microdroplet in which the nanobubbles continue to exist. Finally, the microdroplet evaporates and the nanobubble consequently bursts. Our results support that pinning plays a crucial role for nanobubble stability.

  8. Microgravity nucleation and particle coagulation experiments support

    NASA Technical Reports Server (NTRS)

    Lilleleht, L. U.; Ferguson, F. T.; Stephens, J. R.

    1988-01-01

    Researchers at NASA Goddard Space Flight Center have embarked on a program to study the formation and growth of cosmic grains. This includes experiments on the homogeneous nucleation of refractory vapors of materials such as magnesium, lead, tin, and silicon oxides. As part of this program, the Chemical Engineering Department of the University of Virginia has undertaken to develop a math model for these experiments, to assist in the design and construction of the apparatus, and to analyze the data once the experiments have begun. Status Reports 1 and 2 addressed the design of the apparatus and the development of math models for temperature and concentration fields. The bulk of this report discusses the continued refinement of these models, and the assembly and testing of the nucleation chamber along with its ancillary equipment, which began in the spring of 1988.

  9. The Theory of Ice Nucleation by Heterogeneous Freezing of Deliquescent Mixed CCN. Part I: Critical Radius, Energy, and Nucleation Rate.

    NASA Astrophysics Data System (ADS)

    Khvorostyanov, Vitaly I.; Curry, Judith A.

    2004-11-01

    This paper extends previous work on the theory of heterogenous ice nucleation. The goals of this analysis are to explain empirical observations of ice nucleation and to provide a suitable framework for modeling and parameterizing the ice nucleation process in cloud-scale and large-scale atmospheric models. Considered are the processes of heterogeneous freezing of deliquescent mixed cloud condensation nuclei that may serve as ice nuclei, and the properties of an ice germ critical radius, energy, and nucleation rate of ice crystals are examined as functions of temperature and supersaturation. Expressions for nucleation in a polydisperse aerosol for the deliquescence-freezing mode are developed. Equations are derived for the threshold and critical saturation ratios as functions of temperature and nucleation rate, and for the threshold and critical temperatures as functions of saturation ratio. Equivalence of the new formulation for the freezing point depression with traditional expressions is shown and the concepts of the effective temperature and supercooling are introduced. These new formulations are used in a companion paper for simulations of ice nucleation using a cloud parcel model.


    center" WIDTH="30%">

  10. Nucleation of Crystals in Solution

    NASA Astrophysics Data System (ADS)

    Vekilov, Peter G.

    2010-07-01

    Solution crystallization is an essential part of processes in the chemical and pharmaceutical industries and a major step in physiological and pathological phenomena. Crystallization starts with nucleation and control of nucleation is crucial for the control of the number, size, perfection, polymorphism and other characteristics of the crystalline materials. Recently, there have been significant advances in the understanding of the mechanism of nucleation of crystals in solution. The most significant of these is the two-step mechanism of nucleation, according to which the crystalline nucleus appears inside pre-existing metastable clusters of size several hundred nanometers, which consist of dense liquid and are suspended in the solution. While initially proposed for protein crystals, the applicability of this mechanism has been demonstrated for small molecule organic materials, colloids, and biominerals. This mechanism helps to explain several long-standing puzzles of crystal nucleation in solution: nucleation rates which are many orders of magnitude lower than theoretical predictions, nucleation kinetic dependencies with steady or receding parts at increasing supersaturation, the role of heterogeneous substrates for polymorph selection, the significance of the dense protein liquid, and others. More importantly, this mechanism provides powerful tools for control of the nucleation process by varying the solution thermodynamic parameters so that the volume occupied by the dense liquid shrinks or expands.

  11. On Capillary Rise and Nucleation

    ERIC Educational Resources Information Center

    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.)

  12. Preferential Nucleation during Polymorphic Transformations

    PubMed Central

    Sharma, H.; Sietsma, J.; Offerman, S. E.

    2016-01-01

    Polymorphism is the ability of a solid material to exist in more than one phase or crystal structure. Polymorphism may occur in metals, alloys, ceramics, minerals, polymers, and pharmaceutical substances. Unresolved are the conditions for preferential nucleation during polymorphic transformations in which structural relationships or special crystallographic orientation relationships (OR’s) form between the nucleus and surrounding matrix grains. We measured in-situ and simultaneously the nucleation rates of grains that have zero, one, two, three and four special OR’s with the surrounding parent grains. These experiments show a trend in which the activation energy for nucleation becomes smaller – and therefore nucleation more probable - with increasing number of special OR’s. These insights contribute to steering the processing of polymorphic materials with tailored properties, since preferential nucleation affects which crystal structure forms, the average grain size and texture of the material, and thereby - to a large extent - the final properties of the material. PMID:27484579

  13. Phase nucleation in curved space

    NASA Astrophysics Data System (ADS)

    Gómez, Leopoldo; García, Nicolás; Vitelli, Vincenzo; Lorenzana, José; Daniel, Vega

    Nucleation and growth is the dominant relaxation mechanism driving first-order phase transitions. In two-dimensional flat systems, nucleation has been applied to a wide range of problems in physics, chemistry and biology. Here we study nucleation and growth of two-dimensional phases lying on curved surfaces and show that curvature modifies both critical sizes of nuclei and paths towards the equilibrium phase. In curved space, nucleation and growth becomes inherently inhomogeneous and critical nuclei form faster on regions of positive Gaussian curvature. Substrates of varying shape display complex energy landscapes with several geometry-induced local minima, where initially propagating nuclei become stabilized and trapped by the underlying curvature (Gómez, L. R. et al. Phase nucleation in curved space. Nat. Commun. 6:6856 doi: 10.1038/ncomms7856 (2015).).

  14. Preferential Nucleation during Polymorphic Transformations.

    PubMed

    Sharma, H; Sietsma, J; Offerman, S E

    2016-08-03

    Polymorphism is the ability of a solid material to exist in more than one phase or crystal structure. Polymorphism may occur in metals, alloys, ceramics, minerals, polymers, and pharmaceutical substances. Unresolved are the conditions for preferential nucleation during polymorphic transformations in which structural relationships or special crystallographic orientation relationships (OR's) form between the nucleus and surrounding matrix grains. We measured in-situ and simultaneously the nucleation rates of grains that have zero, one, two, three and four special OR's with the surrounding parent grains. These experiments show a trend in which the activation energy for nucleation becomes smaller - and therefore nucleation more probable - with increasing number of special OR's. These insights contribute to steering the processing of polymorphic materials with tailored properties, since preferential nucleation affects which crystal structure forms, the average grain size and texture of the material, and thereby - to a large extent - the final properties of the material.

  15. Twin nucleation and migration in FeCr single crystals

    SciTech Connect

    Patriarca, L.; Abuzaid, Wael; Sehitoglu, Huseyin; Maier, Hans J.; Chumlyakov, Y.

    2013-01-15

    Tension and compression experiments were conducted on body-centered cubic Fe -47.8 at pct. Cr single crystals. The critical resolved shear stress (CRSS) magnitudes for slip nucleation, twin nucleation and twin migration were established. We show that the nucleation of slip occurs at a CRSS of about 88 MPa, while twinning nucleates at a CRSS of about 191 MPa with an associated load drop. Following twin nucleation, twin migration proceeds at a CRSS that is lower than the initiation stress ( Almost-Equal-To 114-153 MPa). The experimental results of the nucleation stresses indicate that the Schmid law holds to a first approximation for the slip and twin nucleation cases, but to a lesser extent for twin migration particularly when considerable slip strains preceded twinning. The CRSSs were determined experimentally using digital image correlation (DIC) in conjunction with electron back scattering diffraction (EBSD). The DIC measurements enabled pinpointing the precise stress on the stress-strain curves where twins or slip were activated. The crystal orientations were obtained using EBSD and used to determine the activated twin and slip systems through trace analysis. - Highlights: Black-Right-Pointing-Pointer Digital image correlation allows to capture slip/twin initiation for bcc FeCr. Black-Right-Pointing-Pointer Crystal orientations from EBSD allow slip/twin system indexing. Black-Right-Pointing-Pointer Nucleation of slip always precedes twinning. Black-Right-Pointing-Pointer Twin growth is sustained with a lower stress than required for nucleation. Black-Right-Pointing-Pointer Twin-slip interactions provide high hardening at the onset of plasticity.

  16. Protein crystal nucleation in pores

    PubMed Central

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

    2017-01-01

    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. PMID:28091515

  17. Climate Impacts of Ice Nucleation

    SciTech Connect

    Gettelman, A.; Liu, Xiaohong; Barahona, Donifan; Lohmann, U.; Chen, Chih-Chieh

    2012-10-19

    [1] 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-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 Wm-2. 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-2 (1σ uncertainty). Finally, this represents a 20% offset of the simulated total shortwave AIE for ice and liquid clouds of -1.6 Wm-2.

  18. Climate Impacts of Ice Nucleation

    NASA Technical Reports Server (NTRS)

    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).

  19. Bacterial nucleators: actin' on actin

    PubMed Central

    Bugalhão, Joana N.; Mota, Luís Jaime; Franco, Irina S.

    2015-01-01

    The actin cytoskeleton is a key target of numerous microbial pathogens, including protozoa, fungi, bacteria and viruses. In particular, bacterial pathogens produce and deliver virulence effector proteins that hijack actin dynamics to enable bacterial invasion of host cells, allow movement within the host cytosol, facilitate intercellular spread or block phagocytosis. Many of these effector proteins directly or indirectly target the major eukaryotic actin nucleator, the Arp2/3 complex, by either mimicking nucleation promoting factors or activating upstream small GTPases. In contrast, this review is focused on a recently identified class of effector proteins from Gram-negative bacteria that function as direct actin nucleators. These effector proteins mimic functional activities of formins, WH2-nucleators and Ena/VASP assembly promoting factors demonstrating that bacteria have coopted the complete set of eukaryotic actin assembly pathways. Structural and functional analyses of these nucleators have revealed several motifs and/or mechanistic activities that are shared with eukaryotic actin nucleators. However, functional effects of these proteins during infection extend beyond plain actin polymerization leading to interference with other host cell functions such as vesicle trafficking, cell cycle progression and cell death. Therefore, their use as model systems could not only help in the understanding of the mechanistic details of actin polymerization but also provide novel insights into the connection between actin dynamics and other cellular pathways. PMID:26416078

  20. Preferential nucleation during polymorphic transformations

    DOE PAGES

    Sharma, H.; Sietsma, J.; Offerman, S. E.

    2016-08-03

    Polymorphism is the ability of a solid material to exist in more than one phase or crystal structure. Polymorphism may occur in metals, alloys, ceramics, minerals, polymers, and pharmaceutical substances. Unresolved are the conditions for preferential nucleation during polymorphic transformations in which structural relationships or special crystallographic orientation relationships (OR’s) form between the nucleus and surrounding matrix grains. We measured in-situ and simultaneously the nucleation rates of grains that have zero, one, two, three and four special OR’s with the surrounding parent grains. These experiments show a trend in which the activation energy for nucleation becomes smaller – and thereforemore » nucleation more probable - with increasing number of special OR’s. As a result, these insights contribute to steering the processing of polymorphic materials with tailored properties, since preferential nucleation affects which crystal structure forms, the average grain size and texture of the material, and thereby - to a large extent - the final properties of the material.« less

  1. Preferential nucleation during polymorphic transformations

    SciTech Connect

    Sharma, H.; Sietsma, J.; Offerman, S. E.

    2016-08-03

    Polymorphism is the ability of a solid material to exist in more than one phase or crystal structure. Polymorphism may occur in metals, alloys, ceramics, minerals, polymers, and pharmaceutical substances. Unresolved are the conditions for preferential nucleation during polymorphic transformations in which structural relationships or special crystallographic orientation relationships (OR’s) form between the nucleus and surrounding matrix grains. We measured in-situ and simultaneously the nucleation rates of grains that have zero, one, two, three and four special OR’s with the surrounding parent grains. These experiments show a trend in which the activation energy for nucleation becomes smaller – and therefore nucleation more probable - with increasing number of special OR’s. As a result, these insights contribute to steering the processing of polymorphic materials with tailored properties, since preferential nucleation affects which crystal structure forms, the average grain size and texture of the material, and thereby - to a large extent - the final properties of the material.

  2. Effective Reaction Coordinates in Competitive Nucleation of Gold Nanoclusters

    NASA Astrophysics Data System (ADS)

    Asuquo, Cletus; Bowles, Richard

    2015-03-01

    Many materials exhibit crystal polymorphism such that they can freeze to form a variety of different structures under the same conditions. Which structure is formed, and how, is determined by the nucleation kinetics that involves the creation of a critical embryo for the new phase. In classical nucleation theory, the embryo size is usually used as the sole order parameter to describe the reaction coordinate, but this does not always contain sufficient information to describe the formation of the different phases observed in a competitive nucleation process. We present an extension of the transition path sampling algorithm to the sampling of transition paths in a competitive process, as well as the development of a multiple paths maximum likelihood analysis used to obtain accurate reaction coordinates for the different transitions. The new techniques are used to study competitive nucleation in gold nanoclusters where non-crystalline structures such as icosahedra, decahedra and face-centered cubic crystals can form. The reaction coordinates, and analyses of the nucleation pathways, give new insights to how correlated local structures arrange to form more complex structures on longer length scales. In particular, we show that the formation of the tetrahedral subunits are important We thank NSERC for financial support and Compute Canada for computational resources.

  3. Crystal nucleation in lithium borate glass

    NASA Technical Reports Server (NTRS)

    Smith, Gary L.; Neilson, George F.; Weinberg, Michael C.

    1988-01-01

    Crystal nucleation measurements were made on three lithium borate compositions in the vicinity of Li2O-2Br2O3. All nucleation measurements were performed at 500 C. Certain aspects of the nucleation behavior indicated (tentatively) that it proceeded by a homogeneous mechanism. The steady state nucleation rate was observed to have the largest value when the Li2O concentration was slightly in excess of the diborate composition. The change in nucleation rate with composition is controlled by the variation of viscosity as well as the change in free energy with composition. The variation of nucleation rate is explained qualitatively in these terms.

  4. Ice Nucleation in Deep Convection

    NASA Technical Reports Server (NTRS)

    Jensen, Eric; Ackerman, Andrew; Stevens, David; Gore, Warren J. (Technical Monitor)

    2001-01-01

    The processes controlling production of ice crystals in deep, rapidly ascending convective columns are poorly understood due to the difficulties involved with either modeling or in situ sampling of these violent clouds. A large number of ice crystals are no doubt generated when droplets freeze at about -40 C. However, at higher levels, these crystals are likely depleted due to precipitation and detrainment. As the ice surface area decreases, the relative humidity can increase well above ice saturation, resulting in bursts of ice nucleation. We will present simulations of these processes using a large-eddy simulation model with detailed microphysics. Size bins are included for aerosols, liquid droplets, ice crystals, and mixed-phase (ice/liquid) hydrometers. Microphysical processes simulated include droplet activation, freezing, melting, homogeneous freezing of sulfate aerosols, and heterogeneous ice nucleation. We are focusing on the importance of ice nucleation events in the upper part of the cloud at temperatures below -40 C. We will show that the ultimate evolution of the cloud in this region (and the anvil produced by the convection) is sensitive to these ice nucleation events, and hence to the composition of upper tropospheric aerosols that get entrained into the convective column.

  5. Ice Nucleation Properties of Oxidized Carbon Nanomaterials.

    PubMed

    Whale, Thomas F; Rosillo-Lopez, Martin; Murray, Benjamin J; Salzmann, Christoph G

    2015-08-06

    Heterogeneous ice nucleation is an important process in many fields, particularly atmospheric science, but is still poorly understood. All known inorganic ice nucleating particles are relatively large in size and tend to be hydrophilic. Hence it is not obvious that carbon nanomaterials should nucleate ice. However, in this paper we show that four different readily water-dispersible carbon nanomaterials are capable of nucleating ice. The tested materials were carboxylated graphene nanoflakes, graphene oxide, oxidized single walled carbon nanotubes and oxidized multiwalled carbon nanotubes. The carboxylated graphene nanoflakes have a diameter of ∼30 nm and are among the smallest entities observed so far to nucleate ice. Overall, carbon nanotubes were found to nucleate ice more efficiently than flat graphene species, and less oxidized materials nucleated ice more efficiently than more oxidized species. These well-defined carbon nanomaterials may pave the way to bridging the gap between experimental and computational studies of ice nucleation.

  6. Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers

    NASA Astrophysics Data System (ADS)

    Cox, Stephen J.; Kathmann, Shawn M.; Slater, Ben; Michaelides, Angelos

    2015-05-01

    Coarse grained molecular dynamics simulations are presented in which the sensitivity of the ice nucleation rate to the hydrophilicity of a graphene nanoflake is investigated. We find that an optimal interaction strength for promoting ice nucleation exists, which coincides with that found previously for a face centered cubic (111) surface. We further investigate the role that the layering of interfacial water plays in heterogeneous ice nucleation and demonstrate that the extent of layering is not a good indicator of ice nucleating ability for all surfaces. Our results suggest that to be an efficient ice nucleating agent, a surface should not bind water too strongly if it is able to accommodate high coverages of water.

  7. Molecular Simulations of Heterogeneous Ice Nucleation. II. Peeling back the Layers

    SciTech Connect

    Cox, Stephen J.; Kathmann, Shawn M.; Slater, B.; Michaelides, Angelos

    2015-05-14

    Coarse grained molecular dynamics simulations are presented in which the sensitivity of the ice nucleation rate to the hydrophilicity of a graphene nanoflake is investigated. We find that an optimal interaction strength for promoting ice nucleation exists, which coincides with that found previously for a face centered cubic (111) surface. We further investigate the role that the layering of interfacial water plays in heterogeneous ice nucleation and demonstrate that the extent of layering is not a good indicator of ice nucleating ability for all surfaces. Our results suggest that to be an efficient ice nucleating agent, a surface should not bind water too strongly if it is able to accommodate high coverages of water.

  8. Ice nucleation activity of polysaccharides

    NASA Astrophysics Data System (ADS)

    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

  9. Experimental Tests of Nucleation Theory

    NASA Astrophysics Data System (ADS)

    Dea, Jack Yuen

    1982-03-01

    In recent years there has been controversy surrounding experimental nucleation data that did not conform to classical nucleation theory. More recent data, however, suggest good agreement between theory and experiment. At the Desert Research Institute (DRI), it was decided to perform sensitive tests of nucleation in soluble aerosol particles using newly developed instruments and techniques. Very steady aerosol generation was accomplished with a newly developed atomizer; very high monodispersity in the sample aerosol was achieved using two electrical mobility analyzers in series; and, very fine control over the supersaturation was achieved using a newly developed CFD (Continuous Flow Diffusion) cloud chamber built for NASA for use in zero -gravity situations. The results of a series of experiments indicated that the supersaturation needs to be about 15% greater than predicted by theory. However, a mass correction, taking into account the shape of the salt particles produced data that are in excellent agreement with theory. Moreover, the relative hygroscopicity of several soluble substances and the slopes of the Kohler curves obtained agreed very well with theory. The results mean that the hygroscopicity of various substances can be rated using the Kohler curves. Calculations have been done to determine the hygroscopicity of a number of sulfate compounds. The results of these calculations indicate that under restricted conditions (aerosol diameters < 0.1 (mu)m and aerosol particles composed of either one soluble compound or one soluble compound plus an insoluble component), it is possible to distinguish apart most of the sulfate species using either the DFC cloud chamber or an instantaneous version of the CFD cloud chamber. These results point to a possible application of nucleation theory to aerosol species differentiation in the atmosphere.

  10. Nucleation precursors in protein crystallization

    PubMed Central

    Vekilov, Peter G.; Vorontsova, Maria A.

    2014-01-01

    Protein crystal nucleation is a central problem in biological crystallography and other areas of science, technology and medicine. Recent studies have demonstrated that protein crystal nuclei form within crucial precursors. Here, methods of detection and characterization of the precursors are reviewed: dynamic light scattering, atomic force microscopy and Brownian microscopy. Data for several proteins provided by these methods have demonstrated that the nucleation precursors are clusters consisting of protein-dense liquid, which are metastable with respect to the host protein solution. The clusters are several hundred nanometres in size, the cluster population occupies from 10−7 to 10−3 of the solution volume, and their properties in solutions supersaturated with respect to crystals are similar to those in homogeneous, i.e. undersaturated, solutions. The clusters exist owing to the conformation flexibility of the protein molecules, leading to exposure of hydrophobic surfaces and enhanced intermolecular binding. These results indicate that protein conformational flexibility might be the mechanism behind the metastable mesoscopic clusters and crystal nucleation. Investigations of the cluster properties are still in their infancy. Results on direct imaging of cluster behaviors and characterization of cluster mechanisms with a variety of proteins will soon lead to major breakthroughs in protein biophysics. PMID:24598910

  11. Sigmoid kinetics of protein crystal nucleation

    NASA Astrophysics Data System (ADS)

    Nanev, Christo N.; Tonchev, Vesselin D.

    2015-10-01

    A non-linear differential equation expressing the new phase nucleation rate in the different steps of the process (non-stationary and stationary nucleation and in the plateau region) is derived from basic principles of the nucleation theory. It is shown that one and the same sigmoid (logistic) function describes both nucleation scenarios: the one according to the classical theory, and the other according to the modern two-stage mechanism of protein crystal formation. Comparison to experimental data on both insulin crystal nucleation kinetics and on bovine β-lactoglobulin crystallization indicates a good agreement with the sigmoidal prediction. Experimental data for electrochemical nucleation and glass crystallization obey the same sigmoid time dependence, and suggest universality of this nucleation kinetics law.

  12. Ice nucleation properties of agricultural soil dusts

    NASA Astrophysics Data System (ADS)

    Steinke, Isabelle; Funk, Roger; Busse, Jacqueline; Iturri, Antonela; Kirchen, Silke; Leue, Martin; Möhler, Ottmar; Schwartz, Thomas; Sierau, Berko; Toprak, Emre; Ulrich, Andreas; Hoose, Corinna; Leisner, Thomas

    2015-04-01

    Soil dust particles emitted from agricultural areas contain large amounts of organic material such as fungi, bacteria and plant debris. Being carrier for potentially highly ice-active biological particles, agricultural soil dusts are candidates for being very ice-active as well. In this work, we present ice nucleation experiments conducted in the AIDA cloud chamber. We investigated the ice nucleation efficiency of four types of soil dust from different regions of the world. Results are presented for the immersion freezing and the deposition nucleation mode: all soil dusts show higher ice nucleation efficiencies than desert dusts, especially at temperatures above 254 K. For one soil dust sample, the effect of heat treatments was investigated. Heat treatments did not affect the ice nucleation efficiency which presumably excludes primary biological particles as the only source of the increased ice nucleation efficiency. Therefore, organo-mineral complexes or organic compounds may contribute substantially to the high ice nucleation activity of agricultural soil dusts.

  13. Communication. Kinetics of scavenging of small, nucleating clusters. First nucleation theorem and sum rules

    DOE PAGES

    Malila, Jussi; McGraw, Robert; Laaksonen, Ari; ...

    2015-01-07

    Despite recent advances in monitoring nucleation from a vapor at close-to-molecular resolution, the identity of the critical cluster, forming the bottleneck for the nucleation process, remains elusive. During past twenty years, the first nucleation theorem has been often used to extract the size of the critical cluster from nucleation rate measurements. However, derivations of the first nucleation theorem invoke certain questionable assumptions that may fail, e.g., in the case of atmospheric new particle formation, including absence of subcritical cluster losses and heterogeneous nucleation on pre-existing nanoparticles. Here we extend the kinetic derivation of the first nucleation theorem to give amore » general framework to include such processes, yielding sum rules connecting the size dependent particle formation and loss rates to the corresponding loss-free nucleation rate and the apparent critical size from a naïve application of the first nucleation theorem that neglects them.« less

  14. Fundamentals of microcrack nucleation mechanics

    NASA Technical Reports Server (NTRS)

    Fu, L. S.; Sheu, Y. C.; Co, C. M.; Zhong, W. F.; Shen, H. D.

    1985-01-01

    A foundation for ultrasonic evaluation of microcrack nucleation mechanics is identified in order to establish a basis for correlations between plane strain fracture toughness and ultrasonic factors through the interaction of elastic waves with material microstructures. Since microcracking is the origin of (brittle) fracture, it is appropriate to consider the role of stress waves in the dynamics of microcracking. Therefore, the following topics are discussed: (1) microstress distributions with typical microstructural defects located in the stress field; (2) elastic wave scattering from various idealized defects; and (3) dynamic effective-properties of media with randomly distributed inhomogeneities.

  15. Laser control of zeolite nucleation.

    PubMed

    Navarro, Marta; Mayoral, Alvaro; Mateo, Ester; Lahoz, Ruth; de la Fuente, Germán F; Coronas, Joaquín

    2012-02-01

    Precursor solutions for the synthesis of zeolites are irradiated by means of a Nd-YAG laser. These solutions are subsequently submitted to a hydrothermal treatment and the results analyzed by X-ray diffraction and electron microscopy. Laser irradiation promotes the formation of silica nanoparticles that nucleate into zeolite (silicalite-1), following a hydrothermal treatment. The average crystal size (in the 0.6-3.6 μm range) of the zeolite exponentially decreases as a function of laser irradiation time. In addition, a longer irradiation time results in a narrower crystal size distribution.

  16. Crystal nucleation of colloidal hard dumbbells.

    PubMed

    Ni, Ran; Dijkstra, Marjolein

    2011-01-21

    Using computer simulations, we investigate the homogeneous crystal nucleation in suspensions of colloidal hard dumbbells. The free energy barriers are determined by Monte Carlo simulations using the umbrella sampling technique. We calculate the nucleation rates for the plastic crystal and the aperiodic crystal phase using the kinetic prefactor as determined from event driven molecular dynamics simulations. We find good agreement with the nucleation rates determined from spontaneous nucleation events observed in event driven molecular dynamics simulations within error bars of one order of magnitude. We study the effect of aspect ratio of the dumbbells on the nucleation of plastic and aperiodic crystal phases, and we also determine the structure of the critical nuclei. Moreover, we find that the nucleation of the aligned close-packed crystal structure is strongly suppressed by a high free energy barrier at low supersaturations and slow dynamics at high supersaturations.

  17. Nanoparticulas basadas en complejos de Fe(II) con transicion de espin: sintesis, caracterizacion y aplicaciones en electronica molecular

    NASA Astrophysics Data System (ADS)

    Monrabal Capilla, Maria

    Esta tesis doctoral esta organizada en 5 capitulos y esta destinada al estudio de sistemas de Fe (II) que presentan el fenomeno de la transicion de espin a escala nanometrica. El capitulo 1 contiene una introduccion general sobre materiales moleculares multifuncionales, destacando aquellos ejemplos mas importantes. Por otro lado, se explicara el fenomeno de la transicion de espin, tratando aspectos conceptuales, los antecedentes mas importantes y la situacion actual. En el capitulo 2 se describen los diferentes procesos existentes para la obtencion de diferentes tipos de nanoparticulas. Ademas, se presenta la sintesis y caracterizacion de nanoparticulas del polimero de coordinacion unidimensional [Fe(Htrz)2(trz)]BF4, obtenidas mediante el metodo de micelas inversas. Estas nanoparticulas, con una estrecha distribucion de tamanos centrada alrededor de los 11 nm, presentan una transicion de espin muy abrupta, con un ancho ciclo de histeresis termica de unos 40K. En el capitulo 3 se describe el proceso de modificacion del tamano de las nanoparticulas descritas en el capitulo anterior, llevado a cabo variando la proporcion de surfactante/H2O en el medio. Ademas, con el objetivo de modificar las propiedades magneticas de las nanoparticulas obtenidas en el capitulo 2, se lleva a cabo la sintesis de nanoparticulas de polimeros de la misma familia del [Fe(Htrz)2(trz)]BF4. En concreto se sintetizaron 3 nuevos tipos de nanoparticulas basadas en el polimero [Fe(Htrz)1-x(NH2trz)x](ClO4)2, siendo x = 0.05, 0.15 y 0.3, en cada caso. Estas nanoparticulas siguen presentando una estrecha distribucion de tamanos y una transicion de espin muy abrupta y con un ancho ciclo de histeresis. Ademas, se observa que este ciclo se desplaza a temperaturas mas proximas a la temperatura ambiente a medida que se aumenta el porcentaje de 4-amino-1, 2, 4- triazol en la muestra. Pero al mismo tiempo se produce una disminucion de la anchura de este ciclo. Por ultimo, en este capitulo se presenta la

  18. Truncated Dual-Cap Nucleation Site Development

    NASA Technical Reports Server (NTRS)

    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.

  19. Experiments on Nucleation in Different Flow Regimes

    NASA Technical Reports Server (NTRS)

    Bayuzick, Robert J.; Hofmeister, W. H.; Morton, C. M.; Robinson, M. B.

    1998-01-01

    The vast majority of metallic engineering materials are solidified from the liquid phase. Understanding the solidification process is essential to control microstructure, which in turn, determines the properties of materials. The genesis of solidification is nucleation, where the first stable solid forms from the liquid phase. Nucleation kinetics determine the degree of undercooling and phase selection. As such, it is important to understand nucleation phenomena in order to control solidification or glass formation in metals and alloys.

  20. Experiments on Nucleation in Different Flow Regimes

    NASA Technical Reports Server (NTRS)

    Bayuzick, R. J.; Hofmeister, W. H.; Morton, C. M.; Robinson, M. B.

    1999-01-01

    The vast majority of metallic engineering materials are solidified from the liquid phase. Understanding the solidification process is essential to control microstructure, which in turn, determines the properties of materials. The genesis of solidification is nucleation, where the first stable solid forms from the liquid phase. Nucleation kinetics determine the degree of undercooling and phase selection. As such, it is important to understand nucleation phenomena in order to control solidification or glass formation in metals and alloys. Early experiments in nucleation kinetics were accomplished by droplet dispersion methods. Dilatometry was used by Turnbull and others, and more recently differential thermal analysis and differential scanning calorimetry have been used for kinetic studies. These techniques have enjoyed success; however, there are difficulties with these experiments. Since materials are dispersed in a medium, the character of the emulsion/metal interface affects the nucleation behavior. Statistics are derived from the large number of particles observed in a single experiment, but dispersions have a finite size distribution which adds to the uncertainty of the kinetic determinations. Even though temperature can be controlled quite well before the onset of nucleation, the release of the latent heat of fusion during nucleation of particles complicates the assumption of isothermality during these experiments. Containerless processing has enabled another approach to the study of nucleation kinetics. With levitation techniques it is possible to undercool one sample to nucleation repeatedly in a controlled manner, such that the statistics of the nucleation process can be derived from multiple experiments on a single sample. The authors have fully developed the analysis of nucleation experiments on single samples following the suggestions of Skripov. The advantage of these experiments is that the samples are directly observable. The nucleation temperature

  1. Binary Nucleation of Water and Sodium Chloride

    SciTech Connect

    Nemec, Thomas; Marsik, Frantisek; Palmer, Donald

    2005-01-01

    Nucleation processes in the binary water-sodium chloride system are investigated in the sense of the classical nucleation theory (CNT). The CNT is modified to be able to handle the electrolytic nature of the system and is employed to investigate the acceleration of the nucleation process due to the presence of sodium chloride in the steam. This phenomenon, frequently observed in the Wilson zone of steam turbines, is called early condensation. Therefore, the nucleation rates of the water-sodium chloride mixture are of key importance in the power cycle industry.

  2. Heterogeneous nucleation of ice from supercooled water

    NASA Astrophysics Data System (ADS)

    Seeley, Lane Howard

    The relaxation of a metastable phase via the formation of a critical domain of the corresponding stable phase is a phenomenon that has been studied extensively in condensed matter physics. This dissertation describes laboratory studies of this phenomenon in the context of ice nucleation from undercooled liquid water. Such a study presents unique experimental challenges because the formation of a critical embryo is a statistical event, and once it occurs the entire sample relaxes to the stable phase. In order to study this statistical process it is necessary to create a large ensemble of separate, yet identical, domains of the metastable phase. The design of an apparatus is described which creates such an ensemble, in time, by repeatedly freezing and thawing a single water drop. This apparatus allows for the collection of a large data set and therefore can identify subtle changes in nucleation statistics that are produced by external controls. This dissertation describes a series of experiments intended to probe several aspects of ice nucleation. Results are presented for homogeneous ice nucleation as well as heterogeneous ice nucleation by; silanized and unsilanized glass, aliphatic alcohol Langmuir films, ionizing radiation, electric fields and motion at the three phase contact line. These experiments are analyzed largely in the context of classical nucleation theory. The unique experimental technique described here allows for sensitive tests of the temperature dependent nucleation rates, R( T), in these systems. Analysis of the R( T) within the context of classical nucleation theory constrains thermodynamic parameters and provides insight into these nucleation processes.

  3. Nucleation of crystals that are mixed composites of all three polymorphs in the Gaussian core model.

    PubMed

    Mithen, J P; Callison, A J; Sear, R P

    2015-06-14

    We present results of computer simulations of homogeneous crystal nucleation in the Gaussian core model. In our simulations, we study the competition between the body-centered-cubic (bcc), face-centered-cubic (fcc), and hexagonal-close-packed crystal phases. We find that the crystal nuclei that form from the metastable fluid phase are typically "mixed"; they do not consist of a single crystal polymorph. Furthermore, when the fcc phase is stable or fcc and bcc phases are equally stable, this mixed nature is found to persist far beyond the size at the top of the nucleation barrier, that is, far into what would be considered the growth (rather than nucleation) regime. In this region, the polymorph that forms is therefore selected long after nucleation. This has implications. When nucleation is slow, it will be the rate-limiting step for crystallization. Then, the step that determines the time scale for crystallisation is different from the step that controls which polymorph forms. This means that they can be independently controlled. Also between nucleation and polymorph selection, there is a growing phase that is clearly crystalline not fluid, but this phase cannot be assigned to any one polymorph.

  4. Nucleation of crystals that are mixed composites of all three polymorphs in the Gaussian core model

    NASA Astrophysics Data System (ADS)

    Mithen, J. P.; Callison, A. J.; Sear, R. P.

    2015-06-01

    We present results of computer simulations of homogeneous crystal nucleation in the Gaussian core model. In our simulations, we study the competition between the body-centered-cubic (bcc), face-centered-cubic (fcc), and hexagonal-close-packed crystal phases. We find that the crystal nuclei that form from the metastable fluid phase are typically "mixed"; they do not consist of a single crystal polymorph. Furthermore, when the fcc phase is stable or fcc and bcc phases are equally stable, this mixed nature is found to persist far beyond the size at the top of the nucleation barrier, that is, far into what would be considered the growth (rather than nucleation) regime. In this region, the polymorph that forms is therefore selected long after nucleation. This has implications. When nucleation is slow, it will be the rate-limiting step for crystallization. Then, the step that determines the time scale for crystallisation is different from the step that controls which polymorph forms. This means that they can be independently controlled. Also between nucleation and polymorph selection, there is a growing phase that is clearly crystalline not fluid, but this phase cannot be assigned to any one polymorph.

  5. Binary nucleation at low temperatures

    NASA Technical Reports Server (NTRS)

    Zahoransky, R. A.; Peters, F.

    1985-01-01

    The onset of homogeneous condensation of binary vapors in the supersaturated state is studied in ethanol/n-propanol and water/ethanol via their unsteady expansion in a shock tube at temperatures below 273 K. Ethanol/n-propanol forms a nearly ideal solution, whereas water/ethanol is an example of a strongly nonideal mixture. Vapor mixtures of various compositions are diluted in dry air at small mole fractions and expanded in the driver section from room temperature. The onset of homogeneous condensation is detected optically and the corresponding thermodynamic state is evaluated. The experimental results are compared with the binary nucleation theory, and the particular problems of theoretical evaluation at low temperatures are discussed.

  6. Ice nucleation on hydrophilic silicon

    NASA Astrophysics Data System (ADS)

    Ochshorn, Eli; Cantrell, Will

    2008-04-01

    We have used Fourier transform infrared spectroscopy to study thin water films on a hydrophilic silicon surface in the temperature range from 20to-20°C. Throughout that range, the spectra of the water adjacent to the silicon surface are consistent with that of bulk water near 25°C. Thicker films (>1μm) freeze at -11±1°C. We reconcile the apparent paradox of a thin film of water which is quite liquidlike at a temperature where freezing of thicker films occurs by hypothesizing that the nucleation event in the thicker film is triggered by a critical ice embryo which forms at some small distance from the silicon surface, as opposed to in direct contact with it.

  7. Simple improvements to classical bubble nucleation models

    NASA Astrophysics Data System (ADS)

    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 ≃0.3 σ 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.

  8. Nucleation in periodically driven electrochemical systems

    NASA Astrophysics Data System (ADS)

    Smelyanskiy, V. N.; Dykman, M. I.; Rabitz, H.; Vugmeister, B. E.; Bernasek, S. L.; Bocarsly, A. B.

    1999-06-01

    We calculate both the exponent and the prefactor in the nucleation rate of a periodically driven system. Nucleation dynamics is described by the Fokker-Planck equation for the probability distribution of the nuclei over their size. This distribution is found using the concept of the most probable (optimal) nucleation path. The results apply in a broad range of driving force amplitudes, from weak to moderately strong forces where the nucleation rate is changed exponentially strongly, and also in the broad range of the driving frequencies, from low-frequency driving, where the system follows the force adiabatically, to high-frequency nonadiabatic driving. For strong driving forces, the time dependence of the nucleation rate changes from strongly nonsinusoidal to a weak with the increasing frequency of driving. The response of the nucleation rate to the driving force is described in terms of logarithmic susceptibility (LS), which can be obtained from the optimal nucleation path in the absence of the driving. LS is a smooth function of frequency, and therefore even a driving force with comparatively high frequency can change the modulation rate exponentially strongly. LS and the Faraday current are calculated for simple models of electrochemical systems, where the ac driving is produced by modulation of the electrode potential. We also suggest how to find LS from measurements of the average nucleation rate.

  9. Nucleation pressure threshold in acoustic droplet vaporization

    NASA Astrophysics Data System (ADS)

    Miles, Christopher; Doering, Charles; Kripfgans, Oliver

    2016-11-01

    We combine classical nucleation theory with superharmonic focusing to predict necessary pressures to induce nucleation in acoustic droplet vaporization. We show that linear acoustics is a valid approximation to leading order when particle displacements in the sound field are small relative the radius of the droplet. This is done by perturbation analysis of an axisymmetric compressible inviscid flow about a droplet with small surface perturbations relative to the mean radius subjected to an incoming ultrasonic wave. The necessary nucleation pressure threshold inside the droplet is calculated to be - 9 . 33 +/- 0 . 30 MPa for typical experimental parameters by employing results from classical homogeneous nucleation theory. As a result we are able to predict if a given incident pressure waveform will induce nucleation. This research was supported by the Rackham Merit Fellowship, the University of Michigan Physics department, the University of Michigan's MCubed program, and NSF awards PHY-1205219 and DMS-1515161.

  10. Nucleation in an Ultra Low Ionization Environment

    NASA Astrophysics Data System (ADS)

    Pedersen, J. O.; Enghoff, M. B.; Paling, S.; Svensmark, H.

    2010-12-01

    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 Laboratory, located 1100 meters below ground, thus reducing the flux of ionizing cosmic radiation by six orders of magnitude. Similarly we have reduced the gamma background by shielding the experiment in lead and copper. Finally we have used air stored for several weeks and passed through an active charcoal filter in order to reduce the Radon concentration. In this way we have been able to make nucleation experiments with very low ionizing background, meaning that we can rule out ion induced nucleation as a contributing mechanism. Our experimental setup is a 50 L electropolished stainless steel reactor at near atmospheric conditions. The chamber contains clean air with the addition of water vapor, ozone, and SO2. Using UV lights at 254 nm ozone is photolyzed, leading to the production of sulfuric acid and thus aerosols. An 18 MBq Caesium-137 gamma ray source with various amounts of lead in front allows us to alter the ionization in our chamber. By making series of nucleation bursts with varying amounts of ionizing radiation we then gauge the relative importance of ion

  11. Molecular dynamics simulations of He bubble nucleation at grain boundaries.

    PubMed

    Zhang, Yongfeng; Millett, Paul C; Tonks, Michael; Zhang, Liangzhe; Biner, Bulent

    2012-08-01

    The nucleation behavior of He bubbles in single-crystal (sc) and nano-grain body-centered-cubic (bcc) Mo is simulated using molecular dynamics (MD) simulations, focusing on the effects of the grain boundary (GB) structure. In sc Mo, the nucleation behavior of He bubbles depends on irradiation conditions. He bubbles nucleate by either clustering of He atoms with pre-existing vacancies or self-interstitial-atom (SIA) punching without initial vacancies. In nano-grain Mo, strong precipitation of He at the GBs is observed, and the density, size and spatial distribution of He bubbles vary with the GB structure. The corresponding He bubble density is higher in nano-grain Mo than that in sc Mo and the average bubble size is smaller. In the GB plane, He bubbles distribute along the dislocation cores for GBs consisting of GB dislocations and randomly for those without distinguishable dislocation structures. The simulation results in nano-grain Mo are in agreement with previous experiments in metal nano-layers, and they are further explained by the effect of excess volume associated with the GBs.

  12. The materials processing research base of the Materials Processing Center

    NASA Technical Reports Server (NTRS)

    Flemings, M. C.; Bowen, H. K.; Kenney, G. B.

    1980-01-01

    The goals and activities of the center are discussed. The center activities encompass all engineering materials including metals, ceramics, polymers, electronic materials, composites, superconductors, and thin films. Processes include crystallization, solidification, nucleation, and polymer synthesis.

  13. Nucleation and growth studies of crystalline carbon phases at nanoscale

    NASA Astrophysics Data System (ADS)

    Mani, Radhika C.

    Understanding the nucleation and early stage growth of crystals from the vapor phase is important for realizing large-area single-crystal quality films, controlled synthesis of nanocrystals, and the possible discovery of new phases of materials. Carbon provides the most interesting system because all its known crystalline phases (diamond, graphite and carbon nanotubes) are technologically important materials. Hence, this dissertation is focused on studying the nucleation and growth of carbon phases synthesized from the vapor phase. Nucleation experiments were performed in a microwave plasma chemical vapor deposition (CVD) reactor, and the resulting carbon nanocrystals were analyzed primarily using electron nanodiffraction and Raman spectroscopy. These studies led to the discovery of two new crystalline phases of sp 3 carbon other than diamond: face-centered and body-centered cubic carbon. Nanodiffraction results revealed possible hydrogen substitution into diamond-cubic lattices, indicating that these new phases probably act as intermediates in diamond nucleation. Nucleation experiments also led to the discovery of two new morphologies for sp2 carbon: nanocrystals of graphite and tapered, hollow 1-D structures termed here as "carbon nanopipettes". A Kinetic Monte Carlo (KMC) algorithm was developed to simulate the growth of individual diamond crystals from the vapor phase, starting with small clusters of carbon atoms (or seeds). Specifically, KMC simulations were used to distinguish the kinetic rules that give rise to a star-shaped decahedral morphology compared to decahedral crystals. KMC simulations revealed that slow adsorption on the {111} step-propagation sites compared to kink sites leads to star-decahedral crystals, and higher adsorption leads to decahedral crystals. Since the surfaces of the nanocrystals of graphite and nanopipettes were expected to be composed primarily of edge-plane sites, the electrochemical behavior of both these materials were

  14. Foreshocks during the nucleation of stick-slip instability

    USGS Publications Warehouse

    McLaskey, Gregory C.; Kilgore, Brian D.

    2013-01-01

    We report on laboratory experiments which investigate interactions between aseismic slip, stress changes, and seismicity on a critically stressed fault during the nucleation of stick-slip instability. We monitor quasi-static and dynamic changes in local shear stress and fault slip with arrays of gages deployed along a simulated strike-slip fault (2 m long and 0.4 m deep) in a saw cut sample of Sierra White granite. With 14 piezoelectric sensors, we simultaneously monitor seismic signals produced during the nucleation phase and subsequent dynamic rupture. We observe localized aseismic fault slip in an approximately meter-sized zone in the center of the fault, while the ends of the fault remain locked. Clusters of high-frequency foreshocks (Mw ~ −6.5 to −5.0) can occur in this slowly slipping zone 5–50 ms prior to the initiation of dynamic rupture; their occurrence appears to be dependent on the rate at which local shear stress is applied to the fault. The meter-sized nucleation zone is generally consistent with theoretical estimates, but source radii of the foreshocks (2 to 70 mm) are 1 to 2 orders of magnitude smaller than the theoretical minimum length scale over which earthquake nucleation can occur. We propose that frictional stability and the transition between seismic and aseismic slip are modulated by local stressing rate and that fault sections, which would typically slip aseismically, may radiate seismic waves if they are rapidly stressed. Fault behavior of this type may provide physical insight into the mechanics of foreshocks, tremor, repeating earthquake sequences, and a minimum earthquake source dimension.

  15. Dynamic density functional theory for nucleation: Non-classical predictions of mesoscopic nucleation theory

    NASA Astrophysics Data System (ADS)

    Duran-Olivencia, Miguel A.; Yatsyshin, Peter; Lutsko, James F.; Kalliadasis, Serafim

    2016-11-01

    Classical density functional theory (DFT) for fluids and its dynamic extension (DDFT) provide an appealing mean-field framework for describing equilibrium and dynamics of complex soft matter systems. For a long time, homogeneous nucleation was considered to be outside the limits of applicability of DDFT. However, our recently developed mesoscopic nucleation theory (MeNT) based on fluctuating hydrodynamics, reconciles the inherent randomness of the nucleation process with the deterministic nature of DDFT. It turns out that in the weak-noise limit, the most likely path (MLP) for nucleation to occur is determined by the DDFT equations. We present computations of MLPs for homogeneous and heterogeneous nucleation in colloidal suspensions. For homogeneous nucleation, the MLP obtained is in excellent agreement with the reduced order-parameter description of MeNT, which predicts a multistage nucleation pathway. For heterogeneous nucleation, the presence of impurities in the fluid affects the MLP, but remarkably, the overall qualitative picture of homogeneous nucleation persists. Finally, we highlight the use of DDFT as a simulation tool, which is especially appealing as there are no known applications of MeNT to heterogeneous nucleation. We acknowledge financial support from the European Research Council via Advanced Grant No. 247031 and from EPSRC via Grants No. EP/L020564 and EP/L025159.

  16. Temperature Gradient Field Theory of Nucleation

    NASA Astrophysics Data System (ADS)

    Das, S.; Ain, W. Q.; Azhari, A.; Prasada Rao, A. K.

    2016-02-01

    According to the proposed theory, ceramic particles present in molten metal, lose heat at a slower rate than the metallic liquid during cooling. Such condition results in the formation of a spherical thermal gradient field (TGF) around each particle. Hence, the interstitials (low temperature) of such TGFs are the regions to reach the nucleation temperature first, owing to low energy barrier than the liquid-particle interface (higher temperature). Analytics also indicate that the nucleation rate is higher at the TGF interstitials, than at the liquid-particle interface. Such TGF network results in simultaneous nucleation throughout the system, resulting in grain refinement.

  17. Metadynamics simulations of ice nucleation and growth.

    PubMed

    Quigley, D; Rodger, P M

    2008-04-21

    The metadynamics method for accelerating rate events in molecular simulations is applied to the problem of ice freezing. We demonstrate homogeneous nucleation and growth of ice at 180 K in the isothermal-isobaric ensemble without the presence of external fields or surfaces. This result represents the first report of continuous and dynamic ice nucleation in a system of freely evolving density. Simulations are conducted using a variety of periodic simulation domains. In all cases the cubic polymorph ice I(c) is grown. The influence of boundary effects on estimates of the nucleation free energy barrier are discussed in relation to differences between this and earlier work.

  18. Experiments on Nucleation in Different Flow Regimes

    NASA Technical Reports Server (NTRS)

    Bayuzick, Robert J.

    1999-01-01

    The vast majority of metallic engineering materials are solidified from the liquid phase. Understanding the solidification process is essential to control microstructure, which in turn, determines the properties of materials. The genesis of solidification is nucleation, where the first stable solid forms from the liquid phase. Nucleation kinetics determine the degree of undercooling and phase selection. As such, it is important to understand nucleation phenomena in order to control solidification or glass formation in metals and alloys. Early experiments in nucleation kinetics were accomplished by droplet dispersion methods [1-6]. Dilitometry was used by Turnbull and others, and more recently differential thermal analysis and differential scanning calorimetry have been used for kinetic studies. These techniques have enjoyed success; however, there are difficulties with these experiments. Since materials are dispersed in a medium, the character of the emulsion/metal interface affects the nucleation behavior. Statistics are derived from the large number of particles observed in a single experiment, but dispersions have a finite size distribution which adds to the uncertainty of the kinetic determinations. Even though temperature can be controlled quite well before the onset of nucleation, the release of the latent heat of fusion during nucleation of particles complicates the assumption of isothermality during these experiments. Containerless processing has enabled another approach to the study of nucleation kinetics [7]. With levitation techniques it is possible to undercool one sample to nucleation repeatedly in a controlled manner, such that the statistics of the nucleation process can be derived from multiple experiments on a single sample. The authors have fully developed the analysis of nucleation experiments on single samples following the suggestions of Skripov [8]. The advantage of these experiments is that the samples are directly observable. The nucleation

  19. Viscosity of interfacial water regulates ice nucleation

    SciTech Connect

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

    2014-03-10

    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{sub 0} and Γ, in the context of classical nucleation theory. From the extracted J{sub 0} and Γ, we reveal the dominant role played by interfacial water. The results provide an insight into freezing mechanism on solid surfaces.

  20. Dislocation creation and void nucleation in FCC ductile metals under tensile loading: a general microscopic picture.

    PubMed

    Pang, Wei-Wei; Zhang, Ping; Zhang, Guang-Cai; Xu, Ai-Guo; Zhao, Xian-Geng

    2014-11-10

    Numerous theoretical and experimental efforts have been paid to describe and understand the dislocation and void nucleation processes that are fundamental for dynamic fracture modeling of strained metals. To date an essential physical picture on the self-organized atomic collective motions during dislocation creation, as well as the essential mechanisms for the void nucleation obscured by the extreme diversity in structural configurations around the void nucleation core, is still severely lacking in literature. Here, we depict the origin of dislocation creation and void nucleation during uniaxial high strain rate tensile processes in face-centered-cubic (FCC) ductile metals. We find that the dislocations are created through three distinguished stages: (i) Flattened octahedral structures (FOSs) are randomly activated by thermal fluctuations; (ii) The double-layer defect clusters are formed by self-organized stacking of FOSs on the close-packed plane; (iii) The stacking faults are formed and the Shockley partial dislocations are created from the double-layer defect clusters. Whereas, the void nucleation is shown to follow a two-stage description. We demonstrate that our findings on the origin of dislocation creation and void nucleation are universal for a variety of FCC ductile metals with low stacking fault energies.

  1. Unraveling the "pressure effect" in nucleation.

    PubMed

    Wedekind, Jan; Hyvärinen, Antti-Pekka; Brus, David; Reguera, David

    2008-09-19

    The influence of the pressure of a chemically inert carrier gas on the nucleation rate is one of the biggest puzzles in the research of gas-liquid nucleation. Experiments can show a positive effect, a negative effect, or no effect at all. The same experiment may show both trends for the same substance depending on temperature, or for different substances at the same temperature. We show how this ambiguous effect naturally arises from the competition of two contributions: nonisothermal effects and pressure-volume work. Our model clarifies seemingly contradictory experimental results and quantifies the variation of the nucleation ability of a substance in the presence of an ambient gas. Our findings are corroborated by molecular dynamics simulations and might have important implications since nucleation in experiments, technical applications, and nature practically always occurs in the presence of an ambient gas.

  2. Zinc Nucleation and Growth in Microgravity

    NASA Technical Reports Server (NTRS)

    Michael, B. Patrick; Nuth, J. A., III; Lilleleht, L. U.; Vondrak, Richard R. (Technical Monitor)

    2000-01-01

    We report our experiences with zinc nucleation in a microgravity environment aboard NASA's Reduced Gravity Research Facility. Zinc vapor is produced by a heater in a vacuum chamber containing argon gas. Nucleation is induced by cooling and its onset is easily detected visually by the appearance of a cloud of solid, at least partially crystalline zinc particles. Size distribution of these particles is monitored in situ by photon correlation spectroscopy. Samples of particles are also extracted for later analysis by SEM. The initially rapid increase in particle size is followed by a slower period of growth. We apply Scaled Nucleation Theory to our data and find that the derived critical temperature of zinc, the critical cluster size at nucleation, and the surface tension values are all in reasonably good agreement with their accepted literature values.

  3. Mean-field kinetic nucleation theory

    NASA Astrophysics Data System (ADS)

    Kalikmanov, V. I.

    2006-03-01

    A new semiphenomenological model of homogeneous vapor-liquid nucleation is proposed in which the cluster kinetics follows the "kinetic approach to nucleation" and the thermodynamic part is based on the revised Fisher droplet model with the mean-field argument for the cluster configuration integral. The theory is nonperturbative in a cluster size and as such is valid for all clusters down to monomers. It contains two surface tensions: macroscopic (planar) and microscopic. The latter is a temperature dependent quantity related to the vapor compressibility factor at saturation. For Lennard-Jones fluids the microscopic surface tension possesses a universal behavior with the parameters found from the mean-field density functional calculations. The theory is verified against nucleation experiments for argon, nitrogen, water, and mercury, demonstrating very good agreement with experimental data. Classical nucleation theory fails to predict experimental results when a critical cluster becomes small.

  4. Experiments on Nucleation in Different Flow Regimes

    NASA Technical Reports Server (NTRS)

    Bayuzick, R. J.; Hofmeister, W. H.; Morton, C. M.; Robinson, M. B.

    1998-01-01

    The vast majority of metallic engineering materials are solidified from the liquid phase. Understanding the solidification process is essential to control microstructure, which in turn, determines the properties of materials. The genesis of solidification is nucleation, where the first stable solid forms from the liquid phase. Nucleation kinetics determine the degree of undercooling and phase selection. As such, it is important to understand nucleation phenomena in order to control solidification or glass formation in metals and alloys. Early experiments in nucleation kinetics were accomplished by droplet dispersion methods. Dilitometry was used by Turnbull and others, and more recently differential thermal analysis and differential scanning calorimetry have been used for kinetic studies. These techniques have enjoyed success; however, there are difficulties with these experiments. Since materials are dispersed in a medium, the character of the emulsion/metal interface affects the nucleation behavior. Statistics are derived from the large number of particles observed in a single experiment, but dispersions have a finite size distribution which adds to the uncertainty of the kinetic determinations. Even though temperature can be controlled quite well before the onset of nucleation, the release of the latent heat of fusion during nucleation of particles complicates the assumption of isothermality during these experiments. Containerless processing has enabled another approach to the study of nucleation kinetics. With levitation techniques it is possible to undercool one sample to nucleation repeatedly in a controlled manner, such that the statistics of the nucleation process can be derived from multiple experiments on a single sample. The authors have fully developed the analysis of nucleation experiments on single samples following the suggestions of Skripov. The advantage of these experiments is that the samples are directly observable. The nucleation temperature

  5. Formation of Protein Condensed Phases: Nucleation Mechanisms.

    PubMed

    Vekilov, Peter G

    2012-04-04

    Proteins in solution form a number of condensed phases. Even omitting the amyloid structures formed after partial protein unfolding, these phases include crystals, polymers, and other solid aggregates, as well as dense liquids and gels. Some of these condensed phases underlie pathological conditions, others play a crucial role in the biological function of the respective protein or are an essential part of its laboratory or industrial processing. In this review, we summarize the fundamentals and recent findings on the kinetics of nucleation of dense liquid droplets and crystals. We define the transition from nucleation to spinodal decomposition for these two phase transitions. We review the two-step mechanism of protein crystal nucleation, in which mesoscopic metastable protein clusters serve as precursors to the ordered crystal nuclei. The concepts and mechanisms reviewed here provide powerful tools for control of the nucleation process by varying the solution thermodynamic parameters.

  6. Beyond classical nucleation theory of bubble nucleation during explosive volcanic eruptions (Invited)

    NASA Astrophysics Data System (ADS)

    Gonnermann, H. M.; Gardner, J. E.

    2013-12-01

    Magma degassing, a consequence of the pressure-dependent solubilities of magmatic gases, determines how volcanoes erupt. As magma rises toward the surface, ambient pressure decreases and the melt becomes supersaturated in volatiles, first causing bubbles to nucleate and then grow by diffusion of volatiles from the melt. Consequently, bubble nucleation is a rate-limiting process for magma degassing. It is exceedingly sensitive to the surface energy of a nucleating bubble, which thus exerts a fundamental control on eruptive dynamics. The rate at which bubbles nucleate during explosive magma ascent determines the bubble number density (BND). The conventional view that BND is correlated with magma discharge rate, itself a proxy for explosive intensity, is however not universally true. This is perhaps a consequence of our incomplete understanding of the nucleation work, which depends on the surface tension of the interface between a bubble nucleus and surrounding bulk phase, and which is inaccessible to direct experimental determination. Its effective value can, however, be estimated from nucleation experiments. Because relatively small changes in surface tension result in exceedingly large changes in nucleation rate, current estimates of surface tension result in significant uncertainties in predicted nucleation rates across a wide range of conditions. We show, based on combined decompression-nucleation experiments and numerical modeling thereof, that the surface tension between critical bubble nuclei and the surrounding rhyolitic melt depends on the degree of supersaturation and is lower than the macroscopically measurable value. This is consistent with the view that, far from equilibrium, the interface between a nucleus and surrounding metastable bulk phase is diffuse instead of sharp. As a consequence, the increase in nucleation rate with supersaturation is smaller (larger) than would be predicted from classical nucleation theory for supersaturation pressures less

  7. Controlled Nucleation and Growth of Semiconducting Diamond

    DTIC Science & Technology

    1992-12-18

    analytical measurements of film growth have been coupled with novel precursor chemistry to study the effect of precursor chemical structure on the...efficiency of diamond film nucleation and growth. The goal is to optimize source gases and substrate surface preparation methods for both doped and...undoped diamond film nucleation and growth, enabling the use of diamond in field emission, semiconductor, and optoelectronic applications. "Surface

  8. Ice nucleation by water-soluble macromolecules

    NASA Astrophysics Data System (ADS)

    Pummer, B. G.; Budke, C.; Augustin-Bauditz, S.; Niedermeier, D.; Felgitsch, L.; Kampf, C. J.; Huber, R. G.; Liedl, K. R.; Loerting, T.; Moschen, T.; Schauperl, M.; Tollinger, M.; Morris, C. E.; Wex, H.; Grothe, H.; Pöschl, U.; Koop, T.; Fröhlich-Nowoisky, J.

    2015-04-01

    Cloud glaciation is critically important for the global radiation budget (albedo) and for initiation of precipitation. But the freezing of pure water droplets requires cooling to temperatures as low as 235 K. Freezing at higher temperatures requires the presence of an ice nucleator, which serves as a template for arranging water molecules in an ice-like manner. It is often assumed that these ice nucleators have to be insoluble particles. We point out that also free macromolecules which are dissolved in water can efficiently induce ice nucleation: the size of such ice nucleating macromolecules (INMs) is in the range of nanometers, corresponding to the size of the critical ice embryo. As the latter is temperature-dependent, we see a correlation between the size of INMs and the ice nucleation temperature as predicted by classical nucleation theory. Different types of INMs have been found in a wide range of biological species and comprise a variety of chemical structures including proteins, saccharides, and lipids. Our investigation of the fungal species Acremonium implicatum, Isaria farinosa, and Mortierella alpina shows that their ice nucleation activity is caused by proteinaceous water-soluble INMs. We combine these new results and literature data on INMs from fungi, bacteria, and pollen with theoretical calculations to develop a chemical interpretation of ice nucleation and water-soluble INMs. This has atmospheric implications since many of these INMs can be released by fragmentation of the carrier cell and subsequently may be distributed independently. Up to now, this process has not been accounted for in atmospheric models.

  9. Nucleation and Growth of Atmospheric Particles

    SciTech Connect

    McMurry, P.; Kuang, C.; Barsanti, K.; Eisele, F.; Friedli, H.; Scheckman, J.; Titcombe, M.; Williams, B.; Zhao, J.; Smith, J.

    2010-03-15

    New particle formation (NPF) in the atmospheric is a two-step process: Nucleation leads to the birth of stable nuclei that subsequently grow to sizes that can be detected and affect the atmosphere’s radiative properties. Our group is studying both of these processes. Our nucleation research is largely supported by NSF and involves measurements of neutral molecular clusters formed by nucleation with a new custom-designed mass spectrometer (the Cluster-CIMS) and measurements of nanoparticle size distributions as small as 1 nm with a new aerosol spectrometer (the DEG SMPS). These measurements are providing new insights into aspects of cluster behavior that affect nucleation rates. The U.S. DOE supports our research on nanoparticle growth rates. This research couples physical and chemical measurements of aerosol properties and behavior. The TDCIMS, which enables real-time measurements of composition for freshly nucleated particles as small as 8 nm and was developed with support from DOE, is the most important tool in this work. Our most important discoveries about processes that affect growth rates are summarized in a recent PNAS article (doi:10.1073/pnas.0912127107). In short, this work has shown that alkylammonium-carboxylate salts, formed, for example, by reactions between amines and carboxylic acids, account for 20–50% of the mass of freshly nucleated particles in locations that include Atlanta, Mexico City, Boulder, and Hyytiälä, while sulfates account for only about 10%. These newly discovered compounds help to explain the high growth rates of freshly nucleated particles that have been observed around the globe and help to explain why nucleation is an important atmospheric process, not just a scientific curiosity. Our poster will provide an overview of this work.

  10. Fluorescence Studies of Lysozyme Nucleation

    NASA Technical Reports Server (NTRS)

    Pusey, Marc L.; Smith, Lori

    1998-01-01

    Fluorescence is one of the most powerful tools available for the study of macromolecules. For example, fluorescence can be used to study self association through methods such as anisotropy (the rotational rate of the molecule in solution), quenching (the accessibility of a bound probe to the bulk solution), and resonance energy transfer (measurement of the distance between two species). Fluorescence can also be used to study the local environment of the probe molecules, and the changes in that environment which accompany crystal nucleation and growth. However fluorescent techniques have been very much underutilized in macromolecular growth studies. One major advantage is that the fluorescent species generally must be at low concentration, typically ca 10-5 to 10-6 M. Thus one can study a very wide range of solution conditions, ranging from very high to very low protein concentration, he latter of which are not readily accessible to scattering techniques. We have prepared a number of fluorescent derivatives of chicken egg white lysozyme (CEWL). Fluorescent probes have been attached to two different sites, ASP 101 and the N-terrninal amine, with a sought for use in different lines of study. Preliminary resonance energy transfer studies have been -carried out using pyrene acetic acid (Ex 340 mn, Em 376 nm) lysozyme as a donor and cascade blue (Ex 377 run, Em 423 nm) labeled lysozyme as an acceptor. The emission of both the pyrene and cascade blue probes was followed as a function of the salt protein concentrations. The data show an increase in cascade blue and a concomitant decrease in the pyrene fluorescence as either the salt or protein concentrations are increased, suggesting that the two species are approaching each other close enough for resonance energy transfer to occur. This data can be analyzed to measure the distance between the probe molecules and, knowing their locations on the protein molecule their distances from and orientations with respect to each

  11. Ice nucleation on carbon surface supports the classical theory for heterogeneous nucleation

    NASA Astrophysics Data System (ADS)

    Cabriolu, Raffaela; Li, Tianshu

    2015-05-01

    The prevalence of heterogeneous nucleation in nature was explained qualitatively by the classical theory for heterogeneous nucleation established over more than 60 years ago, but the quantitative validity and the key conclusions of the theory have remained unconfirmed. Employing the forward flux sampling method and the coarse-grained water model (mW), we explicitly computed the heterogeneous ice nucleation rates in the supercooled water on a graphitic surface at various temperatures. The independently calculated ice nucleation rates were found to fit well according to the classical theory for heterogeneous nucleation. The fitting procedure further yields the estimate of the potency factor, which measures the ratio of the heterogeneous nucleation barrier to the homogeneous nucleation barrier. Remarkably, the estimated potency factor agrees quantitatively with the volumetric ratio of the critical nuclei between the heterogeneous and homogeneous nucleation. Our numerical study thus provides a strong support to the quantitative power of the theory and allows understanding ice nucleation behaviors under the most relevant freezing conditions.

  12. Bacterial ice nucleation: significance and molecular basis.

    PubMed

    Gurian-Sherman, D; Lindow, S E

    1993-11-01

    Several bacterial species are able to catalyze ice formation at temperatures as warm as -2 degrees C. These microorganisms efficiently catalyze ice formation at temperatures much higher than most organic or inorganic substances. Because of their ubiquity on the surfaces of frost-sensitive plants, they are responsible for initiating ice formation, which results in frost injury. The high temperature of ice catalysis conferred by bacterial ice nuclei makes them useful in ice nucleation-limited processes such as artificial snow production, the freezing of some food products, and possibly in future whether modification schemes. The rarity of other ice nuclei active at high subfreezing temperature, and the ease and sensitivity with which ice nuclei can be quantified, have made the use of a promoterless bacterial ice nucleation gene valuable as a reporter of transcription. Target genes to which this promoter is fused can be used in cells in natural habitats. Warm-temperature ice nucleation sites have also been extensively studied at a molecular level. Nucleation sites active at high temperatures (above -5 degrees C) are probably composed of bacterial ice nucleation protein molecules that form functionally aligned aggregates. Models of ice nucleation proteins predict that they form a planar array of hydrogen binding groups that closely complement that of an ice crystal face. Moreover, interdigitation of these molecules may produce a large contiguous template for ice formation.

  13. Biological ice nucleation initiates hailstone formation

    NASA Astrophysics Data System (ADS)

    Michaud, Alexander B.; Dore, John E.; Leslie, Deborah; Lyons, W. Berry; Sands, David C.; Priscu, John C.

    2014-11-01

    Cloud condensation and ice nuclei in the troposphere are required precursors to cloud and precipitation formation, both of which influence the radiative balance of Earth. The initial stage of hailstone formation (i.e., the embryo) and the subsequent layered growth allow hail to be used as a model for the study of nucleation processes in precipitation. By virtue of the preserved particle and isotopic record captured by hailstones, they represent a unique form of precipitation that allows direct characterization of the particles present during atmospheric ice nucleation. Despite the ecological and economic consequences of hail storms, the dynamics of hailstone nucleation, and thus their formation, are not well understood. Our experiments show that hailstone embryos from three Rocky Mountain storms contained biological ice nuclei capable of freezing water at warm, subzero (°C) temperatures, indicating that biological particles can act as nucleation sites for hailstone formation. These results are corroborated by analysis of δD and δ18O from melted hailstone embryos, which show that the hailstones formed at similarly warm temperatures in situ. Low densities of ice nucleation active abiotic particles were also present in hailstone embryos, but their low concentration indicates they were not likely to have catalyzed ice formation at the warm temperatures determined from water stable isotope analysis. Our study provides new data on ice nucleation occurring at the bottom of clouds, an atmospheric region whose processes are critical to global climate models but which has challenged instrument-based measurements.

  14. Nucleation in an ultra low ionization environment

    NASA Astrophysics Data System (ADS)

    Olaf Pepke Pedersen, Jens; Bødker Enghoff, Martin; Paling, Sean; Svensmark, Henrik

    2010-05-01

    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 formation of cloud condensation nuclei and thus the Earth's radiation budget 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 Laboratory, located 1100 meters below ground, thus reducing the flux of ionizing cosmic radiation by six orders of magnitude. Similarly we have reduced the gamma background by shielding the experiment in lead and copper. Finally we have used air stored for several weeks and passed through an active charcoal filter in order to reduce the Radon concentration. In this way we have been able to make nucleation experiments with very low ionizing background, meaning that we can rule out ion induced nucleation as a contributing mechanism. Our experimental setup is a 50 L electropolished stainless steel reactor at near atmospheric conditions. The chamber contains clean air with the addition of water vapour, ozone, and sulphur dioxide. Using UV lights at 254 nm ozone is photolyzed, leading to the production of sulphuric acid and thus aerosols. An 18 MBq Caesium-137 gamma ray source with various amounts of lead in front allows us to alter the ionization in our chamber. By making series of nucleation bursts with varying amounts of ionizing

  15. Cytoplasmic Nucleation and Atypical Branching Nucleation Generate Endoplasmic Microtubules in Physcomitrella patens[OPEN

    PubMed Central

    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

  16. Molecular Ice Nucleation Activity of Birch Pollen

    NASA Astrophysics Data System (ADS)

    Felgitsch, Laura; Bichler, Magdalena; Häusler, Thomas; Weiss, Victor U.; Marchetti-Deschmann, Martina; Allmaier, Günter; Grothe, Hinrich

    2015-04-01

    Heterogeneous ice nucleation plays a major part in ecosystem and climate. Due to the triggering of ice cloud formation it influences the radiation balance of the earth, but also on the ground it can be found to be important in many processes of nature. So far the process of heterogeneous ice nucleation is not fully understood and many questions remain to be answered. Biological ice nucleation is hereby from great interest, because it shows the highest freezing temperatures. Several bacteria and fungi act as ice nuclei. A famous example is Pseudomonas syringae, a bacterium in commercial use (Snomax®), which increases the freezing from homogeneous freezing temperatures of approx. -40° C (for small volumes as in cloud droplets) to temperatures up to -2° C. In 2001 it was found that birch pollen can trigger ice nucleation (Diehl et al. 2001; Diehl et al. 2002). For a long time it was believed that this is due to macroscopic features of the pollen surface. Recent findings of Bernhard Pummer (2012) show a different picture. The ice nuclei are not attached on the pollen surface directly, but on surface material which can be easily washed off. This shows that not only the surface morphology, but also specific molecules or molecular structures are responsible for the ice nucleation activity of birch pollen. With various analytic methods we work on elucidating the structure of these molecules as well as the mechanism with which they trigger ice nucleation. To solve this we use various instrumental analytic techniques like Nuclear Magnetic Resonance spectroscopy (NMR), Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry (MALDI-MS), and Gas-phase Electrophoretic Mobility Molecular Analysis (GEMMA). Also standard techniques like various chromatographic separation techniques and solvent extraction are in use. We state here that this feature might be due to the aggregation of small molecules, with agglomerates showing a specific surface structure. Our results

  17. Nucleation and droplet growth at high pressure

    NASA Astrophysics Data System (ADS)

    Luijten, Carlo Cornelis Maria

    Homogeneous nucleation, the first stage of droplet formation in the absence of foreign particles, usually takes place in the presence of one or more supercritical carrier gases. The present work aimed at a systematic investigation of the effects of carrier gas pressure on nucleation and droplet growth. Using the so-called nucleation pulse method, nucleation and droplet growth can be separated in time, which facilitates quantitative study of these processes using Constant Angle Mie Scattering and light extinction. The method was implemented in a modified shock tube, using gas dynamic principles to create the pulse. In this way, nucleation and growth rates were measured as a function of temperature, pressure, and composition. Composition measurement at high pressure was achieved along two different routes. Water vapour concentrations were determined using a commercial humidity sensor, after calibration with total pressure as an independent parameter. Gas chromatography was used to determine hydrocarbon concentrations, after pressure reduction of the mixture over a thermostatic capillary tube. Using the above analysis techniques, nucleation and droplet growth experiments were performed for several vapour-gas mixtures, at pressures between 1 and 40 bar. Mixtures with a varying degree of interaction were selected, to allow for a systematic investigation of carrier gas influence. Besides these binary mixtures, the first quantitative nucleation and growth rates for- multicomponent-natural gas were obtained. Theoretical models for both nucleation and droplet growth were adapted to take into account the presence of a carrier gas, under condition of small carrier gas solubility. The main effects involved are the increase of saturated vapour density and decrease of surface tension with pressure. On the basis of our experiments, these effects were demonstrated to play important and counteracting roles in high pressure nucleation. Using Density Functional Theory, both effects

  18. Validity of commonly used formula of nucleation work for bubble nucleation

    NASA Astrophysics Data System (ADS)

    Mori, Atsushi

    2013-08-01

    Nishioka and Kusaka [Journal of Chemical Physics 96 (1992) 5370] showed that the commonly used formula, W=n(μα-μβ)+γA, for work of formation of critical nucleus is derived by integrating the isothermal Gibbs-Duhem relation for the incompressible nucleating phase, such as an incompressible liquid phase nucleation in a vapor phase. In their paper as well as in a subsequent paper [Li, Nishioka, Holcomb, Journal of Crystal Growth 171 (1997) 259] it was stated that the commonly used formula was valid for an incompressible nucleating phase and no longer held for such as a bubble nucleation. In this paper, we will amend this statement; that is, the commonly used formula is shown to hold for incompressible parent phase, such as a bubble nucleation in an incompressible parent phase.

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

    SciTech Connect

    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.

  20. Molecular Basis of Actin Nucleation Factor Cooperativity

    PubMed Central

    Zeth, Kornelius; Pechlivanis, Markos; Samol, Annette; Pleiser, Sandra; Vonrhein, Clemens; Kerkhoff, Eugen

    2011-01-01

    The distinct actin nucleation factors of the Spir and formin subgroup families cooperate in actin nucleation. The Spir/formin cooperativity has been identified to direct two essential steps in mammalian oocyte maturation, the asymmetric spindle positioning and polar body extrusion during meiosis. Understanding the nature and regulation of the Spir/Fmn cooperation is an important requirement to comprehend mammalian reproduction. Recently we dissected the structural elements of the Spir and Fmn family proteins, which physically link the two actin nucleation factors. The trans-regulatory interaction is mediated by the Spir kinase non-catalytic C-lobe domain (KIND) and the C-terminal formin Spir interaction motif (FSI). The interaction inhibits formin nucleation activity and enhances the Spir activity. To get insights into the molecular mechanism of the Spir/Fmn interaction, we determined the crystal structure of the KIND domain alone and in complex with the C-terminal Fmn-2 FSI peptide. Together they confirm the proposed structural homology of the KIND domain to the protein kinase fold and reveal the basis of the Spir/formin interaction. The complex structure showed a large interface with conserved and positively charged residues of the Fmn FSI peptide mediating major contacts to an acidic groove on the surface of KIND. Protein interaction studies verified the electrostatic nature of the interaction. The data presented here provide the molecular basis of the Spir/formin interaction and give a first structural view into the mechanisms of actin nucleation factor cooperativity. PMID:21705804

  1. Atmospheric Ion-induced Aerosol Nucleation

    NASA Astrophysics Data System (ADS)

    Curtius, J.; Lovejoy, E. R.; Froyd, K. D.

    2006-08-01

    Ion-induced nucleation has been suggested to be a potentially important mechanism for atmospheric aerosol formation. Ions are formed in the background atmosphere by galactic cosmic rays. A possible connection between galactic cosmic rays and cloudiness has been However, the predictions of current atmospheric nucleation models are highly uncertain because the models are usually based on the liquid drop model that estimates cluster thermodynamics based on bulk properties (e.g., liquid drop density and surface tension). Sulfuric acid (H2SO4) and water are assumed to be the most important nucleating agents in the free troposphere. Measurements of the molecular thermodynamics for the growth and evaporation of cluster ions containing H2SO4 and H2O were performed using a temperature-controlled laminar flow reactor coupled to a linear quadrupole mass spectrometer as well as a temperature-controlled ion trap mass spectrometer. The measurements were complemented by quantum chemical calculations of the cluster ion structures. The analysis yielded a complete set of H2SO4 and H2O binding thermodynamics extending from molecular cluster ions to the bulk, based on experimental thermodynamics for the small clusters. The data were incorporated into a kinetic aerosol model to yield quantitative predictions of the rate of ion-induced nucleation for atmospheric conditions. The model predicts that the negative ion-H2SO4-H2O nucleation mechanism is an efficient source of new particles in the middle and upper troposphere.

  2. N Reactor departure from nucleate boiling correlation for outer annulus subchannel at higher steam quality

    SciTech Connect

    Wittekind, W.D.

    1988-02-01

    This report justifies an N Reactor departure from nucleate boiling heat flux correlation for the outer annulus subchannel into the higher steam quality region. The center hole flow channel was completed in 1963, and the inner annulus flow channel was completed in 1978. This extension to departure from nucleate boiling correlation will complete the extension into the higher steam quality region and relieve some calculated thermal hydraulic limits without compromising reactor safety. Justification for this departure from nucleate boiling heat flux correlation extension into the higher steam quality region results from the following references: Annular flow channel correlations, Annular flow channel measurements, and Hanford Site measurements on an N Reactor model. This extension to departure from nuclear boiling heat flux correlation is reasonable and conservative. 19 refs., 4 figs., 14 tabs.

  3. The ice nucleation activity of extremophilic algae.

    PubMed

    Kviderova, Jana; Hajek, Josef; Worland, Roger M

    2013-01-01

    Differences in the level of cold acclimation and cryoprotection estimated as ice nucleation activity in snow algae (Chlamydomonas cf. nivalis and Chloromonas nivalis), lichen symbiotic algae (Trebouxia asymmetrica, Trebouxia erici and Trebouxia glomerata), and a mesophilic strain (Chlamydomonas reinhardti) were evaluated. Ice nucleation activity was measured using the freezing droplet method. Measurements were performed using suspensions of cells of A750 (absorbance at 750 nm) ~ 1, 0.1, 0.01 and 0.001 dilutions for each strain. The algae had lower ice nucleation activity, with the exception of Chloromonas nivalis contaminated by bacteria. The supercooling points of the snow algae were higher than those of lichen photobionts. The supercooling points of both, mesophilic and snow Chlamydomonas strains were similar. The lower freezing temperatures of the lichen algae may reflect either the more extreme and more variable environmental conditions of the original localities or the different cellular structure of the strains examined.

  4. Temperature dependence of nucleation in Yukawa fluids

    NASA Astrophysics Data System (ADS)

    Li, J.-S.; Wilemski, G.

    2002-03-01

    We have studied the temperature dependence of gas-liquid nucleation in Yukawa fluids with gradient theory (GT) and density functional theory (DFT). Each of these nonclassical theories exhibits a weaker (i.e. better) temperature dependence than classical nucleation theory. At a given temperature, the difference between GT and DFT for the reversible work to form a critical nucleus gets smaller with increasing superaturation. For the temperature dependence, the reversible work for GT is very close to that for DFT at high temperatures. The difference between the two theories increases with decreasing temperature and supersaturation. Thus, in contrast to the behavior of a Peng-Robinson fluid, we find that GT can improve the temperature dependence over that of classical nucleation theory, although not always to the same degree as DFT.

  5. Size Dependant Nucleation of Confined 2-Decanol

    NASA Astrophysics Data System (ADS)

    Amanuel, Samuel; Bauer, Hillary; Safiq, Alexandrea; Dulmaa, Jargalsaikhan; Khraisat, Amer

    2012-02-01

    We have studied freezing and melting of physically confined 2-decanol in nano porous silica using a Differential Scanning Calorimeter (DSC). Both melting and freezing temperatures are suppressed for physically confined 2-decanol. In the presence of bulk, freezing of the confined system is triggered by freezing of the bulk where nucleation is heterogeneous. There is, however, a cutoff size between 100 nm and 300 nm where phase transition is no longer initiated through heterogeneous nucleation. Below the cutoff size, nucleation is homogeneous where the confined system has to be supercooled further before any phase transition can occur. Melting of the confined system, on the other hand, is not influenced by the presence or absence of the bulk.

  6. A parameterization of cloud droplet nucleation

    SciTech Connect

    Ghan, S.J.; Chuang, C.C.; Penner, J.E.

    1994-01-01

    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-interactions, the droplet nucleation process must be adequately represented. Ghan et al. have introduced a droplet nucleation parameterization for a single aerosol type that offers certain advantages over the popular Twomey parameterization. Here we describe the generalization of that parameterization to the case of multiple aerosol types, with estimation of aerosol mass as well as number activated.

  7. Nonlinear Acoustical Assessment of Precipitate Nucleation

    NASA Technical Reports Server (NTRS)

    Cantrell, John H.; Yost, William T.

    2004-01-01

    The purpose of the present work is to show that measurements of the acoustic nonlinearity parameter in heat treatable alloys as a function of heat treatment time can provide quantitative information about the kinetics of precipitate nucleation and growth in such alloys. Generally, information on the kinetics of phase transformations is obtained from time-sequenced electron microscopical examination and differential scanning microcalorimetry. The present nonlinear acoustical assessment of precipitation kinetics is based on the development of a multiparameter analytical model of the effects on the nonlinearity parameter of precipitate nucleation and growth in the alloy system. A nonlinear curve fit of the model equation to the experimental data is then used to extract the kinetic parameters related to the nucleation and growth of the targeted precipitate. The analytical model and curve fit is applied to the assessment of S' precipitation in aluminum alloy 2024 during artificial aging from the T4 to the T6 temper.

  8. SWAN: NGC 253's Nucleated Star Bursting Environment

    NASA Astrophysics Data System (ADS)

    Gorski, Mark; Ott, Jürgen; Meier, David; Momjian, Emmanuel; Walter, Fabian; Rand, Richard

    We present the first results from SWAN: ``Survey of Water and Ammonia in Nearby galaxies''. Nearby galaxies are conveniently located to probe molecular gas properties on scales of 10 to 200 pc, which are appropriate for the study of Giant Molecular Clouds (GMCs). The resolution of the Very Large Array in D and C configurations corresponds to a few 10s of parsecs in these galaxies. To advance studies of galaxy evolution it is paramount to understand how processes in the molecular Interstellar Medium(ISM) and star formation are linked on these scales. We have observed the metastable transitions of ammonia and the 22GHz water maser line in four nearby galaxies: NGC 253, IC 342, NGC 2146, and NGC 6946 using the VLA. These galaxies were chosen to span an order of magnitude in star formation rate, and a range of galactic ecosystems. We use the ammonia transitions to derive kinetic temperatures, which exposes the heating and cooling balance of the ISM. We then aim to relate these conditions to energetic feedback from star formation as indicated by water masers. Currently, our analysis is focused on NGC 253. NGC 253 is a barred spiral starburst galaxy with a nucleated star formation rate (SFR) of ~ 3M⊙ per year. We use a distance of 3.9Mpc for analysis. We have observed ammonia transitions (1,1) to (5,5) and the 22GHz water maser line with a resolution of ~63pc. We have identified nine regions across the nucleated starburst for study. The ammonia (3,3) line appears to be masing in the centermost 200pc. We have identified two regions of water maser emission. The first region is a minor axis extension, about the center of the galaxy, and is very close to the outflow. By means of these measurements, we gain an understanding of the molecular ISM associated with the nucleated starburst environment in NGC 253.

  9. Cavitation Bubble Nucleation by Energetic Particles

    SciTech Connect

    West, C.D.

    1998-12-01

    In the early sixties, experimental measurements using a bubble chamber confirmed quantitatively the thermal spike theory of bubble nucleation by energetic particles: the energy of the slow, heavy alpha decay recoils used in those experiments matched the calculated bubble nucleation energy to within a few percent. It was a triumph, but was soon to be followed by a puzzle. Within a couple of years, experiments on similar liquids, but well below their normal boiling points, placed under tensile stress showed that the calculated bubble nucleation energy was an order of magnitude less than the recoil energy. Why should the theory work so well in the one case and so badly in the other? How did the liquid, or the recoil particle, "know" the difference between the two experiments? Another mathematical model of the same physical process, introduced in 1967, showed qualitatively why different analyses would be needed for liquids with high and low vapor pressures under positive or negative pressures. But, the quantitative agreement between the calculated nucleation energy and the recoil energy was still poor--the former being smaller by a factor of two to three. In this report, the 1967 analysis is extended and refined: the qualitative understanding of the difference between positive and negative pressure nucleation, "boiling" and "cavitation" respectively, is retained, and agreement between the negative pressure calculated to be needed for nucleation and the energy calculated to be available is much improved. A plot of the calculated negative pressure needed to induce bubble formation against the measured value now has a slope of 1.0, although there is still considerable scatter in the individual points.

  10. Ion-Induced Nucleation Under Atmospheric Conditions

    NASA Astrophysics Data System (ADS)

    Pedersen, J. O.; Svensmark, H.; Enghoff, M. B.

    2007-12-01

    Experimental studies of aerosol nucleation in air, containing trace amounts of ozone, sulphur dioxide, and water vapor at concentrations relevant for the Earths atmosphere are reported. The production of new aerosol particles is found to be proportional to the negative ion density. These results suggest that ions are important for nucleation processes in the atmosphere and cloud cover -- and may thus link cosmic rays to Earth's climate. The production of aerosols in the Earth's atmosphere is an unresolved and challenging problem. 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 the nucleation problem, e.g., Ion-induced Nucleation and Ternary Nucleation. However, 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. In our laboratory we have performed1 an experimental investigation of nucleation that confirms the importance of ions under conditions that do prevail in the lower atmosphere. The measurements were performed in a 7 m3 reaction chamber, which was continuously flushed with dry purified air. Variable concentrations of water vapor (H2O), ozone (O3), and sulphur dioxide (SO2) could be added to the chamber, where the pressure was held a few Pa above atmospheric pressure, and the temperature fixed at 296 K. UV-lamps (253.7 nm) were used to initiate a photochemical reaction that transforms (H2O), ozone (O3), and sulphur dioxide (SO2) to sulphuric acid (H2SO4). Ions were produced in the chamber by galactic cosmic radiation. This natural production of ions could be enhanced with gamma sources, mounted outside of the chamber. A Gerdien tube was used to measure the ion current, and aerosols generated in the chamber were measured with a TSI Ultra Fine Condensation

  11. Interfacial supersaturation, secondary nucleation, and crystal growth

    NASA Astrophysics Data System (ADS)

    Tai, Clifford Y.; Wu, Jenn-Fang; Rousseau, Ronald W.

    1992-02-01

    A theory describing the source of nuclei in secondary nucleation is presented and used to rationalize experimental data from the literature, some of which had appeared to be conflicting. The theory rests on a model in which an adsorption layer consisting of clusters of growth units of varying size is formed on the surface of growing crystals. The existence of the layer is related to the two-resistance model of crystal growth; by varying system conditions, the relative importance of the two resistances is altered and thereby changes the interfacial supersaturation even though overall supersaturation remains constant. Interracial supersaturation and contact energy determine kinetics in a system dominated by contact nucleation.

  12. Spider silk has an ice nucleation activity.

    PubMed

    Murase, N; Ruike, M; Matsunaga, N; Hayakawa, M; Kaneko, Y; Ono, Y

    2001-03-01

    Several ice nucleating substances have been identified, which exist in vivo or can be extracted from biological materials. Spider silk, which has a strong ability for water condensation, has also been found to possess an ice nucleation activity. The freezing temperature of water droplets was higher in the presence than in the absence of spider silk. Moreover, by means of environmental scanning electron microscopy, it was observed that the activity is not due to foreign matter attached to the silk but to the silk fibroin itself.

  13. Ice nucleation and antinucleation in nature.

    PubMed

    Zachariassen, K E; Kristiansen, E

    2000-12-01

    Plants and ectothermic animals use a variety of substances and mechanisms to survive exposure to subfreezing temperatures. Proteinaceous ice nucleators trigger freezing at high subzero temperatures, either to provide cold protection from released heat of fusion or to establish a protective extracellular freezing in freeze-tolerant species. Freeze-avoiding species increase their supercooling potential by removing ice nucleators and accumulating polyols. Terrestrial invertebrates and polar marine fish stabilize their supercooled state by means of noncolligatively acting antifreeze proteins. Some organisms also depress their body fluid melting point to ambient temperature by evaporation and/or solute accumulation.

  14. Diamond Nucleation of Surfaces Using Carbon Clusters

    DTIC Science & Technology

    1993-05-01

    initially expected that C60 would be a better nucleation 19 precursor than C7. The molecule is considered more stable than C70 and recent HRTEM 33 as well as...promoter as C7 will be discussed below. Figure S.c shows the SEK results of a comparison of C7 . nucleation enhancement to that of a DLC amorphous coating...of comparable thickness grown on the same substrate. Figure 7.c is the Raman spectrum of the deposited DLC film. For this series of experiments C

  15. The significance of cluster lifetime in nucleation theory

    NASA Astrophysics Data System (ADS)

    Barrett, Jonathan C.

    2002-05-01

    Collisions between vapor monomers and small clusters may create short-lived states that will decay before undergoing equilibriating collisions with other (vapor or gas) molecules. As the vapor pressure (and hence the number of monomer-cluster collisions) increases, the number of such decays will increase, in contrast to the usual assumption that cluster decay rates are independent of the external vapor pressure. Such short-lived clusters should therefore be excluded from consideration in nucleation theory. The effect of excluding clusters with lifetimes less than a specified value τ is investigated by evaluating the partition function for clusters of 2, 3, and 4 molecules interacting via a Lennard-Jones potential. Calculations are performed by Monte Carlo integration, with a molecular dynamics simulation performed at each Monte Carlo point to determine whether the monomers remain within a specified distance of their center of mass a time τ later. Results are compared with those from other cluster definitions, including classical theory and constant volume clusters. Values are approximately independent of τ provided it is not too small, and exhibit a stronger decrease with increasing temperature than those from other cluster definitions. Making classical nucleation theory consistent with the population of long-lived small clusters (instead of with the monomer population) would therefore reduce the temperature dependence of theory.

  16. Molecular dynamics simulations of He bubble nucleation at grain boundaries

    SciTech Connect

    Yongfeng Zhang; Paul C Millett; Michael Tonks; Liangzhe Zhang; Bulent Biner

    2012-08-01

    The nucleation behavior of He bubbles in nano-grained body-centered-cubic (BCC) Mo is simulated using molecular dynamics (MD) simulations with a bicrystal model, focusing on the effect of grain boundary (GB) structure. Three types of GBs, the (100) twist S29, the ?110? symmetrical tilt (tilt angle of 10.1?), and the (112) twin boundaries, are studied as representatives of random GB, low angle GB with misfit dislocations, and special sigma boundaries. With the same amount of He, more He clusters form in nano-grained Mo with smaller average size compared to that in bulk. The effects of the GB structure originate from the excess volume in GBs. Trapping by excess volume results in reduction in mobility of He atoms, which enhances the nucleation with higher density of bubbles, and impedes the growth of He bubbles by absorption of mobile He atoms. Furthermore, the distribution of excess volume in GBs determines the distribution of He clusters. The effect of GBs becomes less pronounced with increasing vacancy concentration in the matrix.

  17. Translational invariance in nucleation theories: theoretical formulation.

    PubMed

    Drossinos, Y; Kevrekidis, P G; Georgopoulos, P G

    2001-03-01

    The consequences of spontaneously broken translational invariance on the nucleation-rate statistical prefactor in theories of first-order phase transitions are analyzed. A hybrid, semiphenomenological approach based on field-theoretic analyses of condensation and modern density-functional theories of nucleation is adopted to provide a unified prescription for the incorporation of translational-invariance corrections to nucleation-rate predictions. A connection between these theories is obtained starting from a quantum-mechanical Hamiltonian and using methods developed in the context of studies on Bose-Einstein condensation. An extremum principle is used to derive an integro-differential equation for the spatially nonuniform mean-field order-parameter profile; the appropriate order parameter becomes the square root of the fluid density. The importance of the attractive intermolecular potential is emphasized, whereas the repulsive two-body potential is approximated by considering hard-sphere collisions. The functional form of the degenerate translational eigenmodes in three dimensions is related to the mean-field order parameter, and their contribution to the nucleation-rate prefactor is evaluated. The solution of the Euler-Lagrange variational equation is discussed in terms of either a proposed variational trial function or the complete numerical solution of the associated boundary-value integro-differential problem. Alternatively, if the attractive potential is not explicitly known, an approach that allows its formal determination from its moments is presented.

  18. Forest canopy interactions with nucleation mode particles

    NASA Astrophysics Data System (ADS)

    Pryor, S. C.; Hornsby, K. E.; Novick, K. A.

    2014-11-01

    Ultrafine particle size distributions through a deciduous forest canopy indicate that nucleation mode particle concentrations decline with depth into the canopy, such that number concentrations at the bottom of the canopy are an average of 16% lower than those at the top. However, growth rates of nucleation mode particles (diameters 6-30 nm) are invariant with height within the canopy, which implies that the semi-volatile gases contributing to their growth are comparatively well-mixed through the canopy. Growth rates of nucleation mode particles during a meteorological drought year (2012) were substantially lower than during a meteorologically normal year with high soil water potential (2013). This may reflect suppression of actual biogenic volatile organic compound (BVOC) emissions by drought and thus a reduction in the production of condensable products during the drought-affected vegetation season. This hypothesis is supported by evidence that growth rates during the normal year exhibit a positive correlation with emissions of BVOC modeled on observed forest composition, leaf area index, temperature and photosynthetically active radiation (PAR), but particle growth rates during the drought-affected vegetation season are not correlated with modeled BVOC emissions. These data thus provide indirect evidence that drought stress in forests may reduce BVOC emissions and limit growth of nucleation mode particles to climate-relevant sizes.

  19. Quantum pattern formation dynamics of photoinduced nucleation

    NASA Astrophysics Data System (ADS)

    Ishida, Kunio; Nasu, Keiichiro

    2008-06-01

    We study the dynamics of quantum pattern formation processes in molecular crystals which is concomitant with photoinduced nucleation. Since the nucleation process in coherent regime is driven by the nonadiabatic transition in each molecule followed by the propagation of phonons, it is necessary to take into account the quantum nature of both electrons and phonons in order to pursue the dynamics of the system. Therefore, we employ a model of localized electrons coupled with a quantized phonon mode and solve the time-dependent Schrödinger equation numerically. We found that there is a minimal size of clusters of excited molecules which triggers the photoinduced nucleation process; i.e., nucleation does not take place unless sufficient photoexcitation energy is concentrated within a narrow area of the system. We show that this result means that the spatial distribution of photoexcited molecules plays an important role in the nonlinearity of the dynamics and also in the optical properties observed in experiments. We calculate the conversion ratio, the rate of cluster formation, and correlation functions to reveal the dynamical properties of the pattern formation process; the initial dynamics of the photoinduced structural change is discussed from the viewpoint of pattern formation.

  20. Heterogeneous nucleation of aspartame from aqueous solutions

    NASA Astrophysics Data System (ADS)

    Kubota, Noriaki; Kinno, Hiroaki; Shimizu, Kenji

    1990-03-01

    Waiting times, the time from the instant of quenching needed for a first nucleus to appear, were measured at constant supercoolings for primary nucleation of aspartame (α-L-aspartyl-L-phenylalanine methylester) from aqueous solutions, which were sealed into glass ampoules (solution volume = 3.16 cm 3). Since the waiting time became shorter by filtering the solution prior to quenching, the nucleation was concluded to be heterogeneously induced. The measured waiting time consisted of two parts: time needed for the nucleus to grow to a detactable size (growth time) and stochastic time needed for nucleation (true waiting time). The distribution of the true waiting time, is well explained by a stochastic model, in which nucleation is regarded to occur heterogeneously and in a stochastic manner by two kinds of active sites. The active sites are estimated to be located on foreign particles in which such elements as Si, Al and Mg were contained. The amount of each element is very small in the order of magnitude of ppb (mass basis) of the whole solution. The growth time was correlated with the degree of supercooling.

  1. Repeatability and randomness in heterogeneous freezing nucleation

    NASA Astrophysics Data System (ADS)

    Vali, G.

    2008-08-01

    This study is aimed at clarifying the relative importance of the specific character of the nuclei and of the duration of supercooling in heterogeneous freezing nucleation by immersed impurities. Laboratory experiments were carried out in which sets of water drops underwent multiple cycles of freezing and melting. The drops contained suspended particles of mixtures of materials; the resulting freezing temperatures ranged from -6°C to -24°C. Rank correlation coefficients between observed freezing temperatures of the drops in successive runs were >0.9 with very high statistical significance, and thus provide strong support for the modified singular model of heterogeneous immersion freezing nucleation. For given drops, changes in freezing temperatures between cycles were relatively small (<1°C) for the majority of the events. These frequent small fluctuations in freezing temperatures are interpreted as reflections of the random nature of embryo growth and are associated with a nucleation rate that is a function of a temperature difference from the characteristic temperatures of nuclei. About a sixth of the changes were larger, up to ±5°C, and exhibited some systematic patterns. These are thought to arise from alterations of the nuclei, some being permanent and some transitory. The results are used to suggest ways of describing ice initiation in cloud models that account for both the temperature and the time dependence of freezing nucleation.

  2. Repeatability and randomness in heterogeneous freezing nucleation

    NASA Astrophysics Data System (ADS)

    Vali, G.

    2008-02-01

    This study is aimed at clarifying the relative importance of the specific character of the nuclei and of the duration of supercooling in heterogeneous freezing nucleation by immersed impurities. Laboratory experiments were carried out in which sets of water drops underwent multiple cycles of freezing and melting. The drops contained suspended particles of mixtures of materials; the resulting freezing temperatures ranged from -6°C to -24°C. Rank correlation coefficients between observed freezing temperatures of the drops in successive runs were >0.9 with very high statistical significance, and thus provide strong support for the modified singular model of heterogeneous immersion freezing nucleation. For given drops, changes in freezing temperatures between cycles were relatively small (<1°C) for the majority of the events. These frequent small fluctuations in freezing temperatures are interpreted as reflections of the random nature of embryo growth and are associated with a nucleation rate that is a function of a temperature difference from the characteristic temperatures of nuclei. About a sixth of the changes were larger, up to ±5°C, and exhibited some systematic patterns. These are thought to arise from alterations of the nuclei, some being permanent and some transitory. The results are used to suggest ways of describing ice initiation in cloud models that account for both the temperature and the time dependence of freezing nucleation.

  3. Multistep nucleation of nanocrystals in aqueous solution

    NASA Astrophysics Data System (ADS)

    Loh, N. Duane; Sen, Soumyo; Bosman, Michel; Tan, Shu Fen; Zhong, Jun; Nijhuis, Christian A.; Král, Petr; Matsudaira, Paul; Mirsaidov, Utkur

    2017-01-01

    The nucleation and growth of solids from solutions impacts many natural processes and is fundamental to applications in materials engineering and medicine. For a crystalline solid, the nucleus is a nanoscale cluster of ordered atoms that forms through mechanisms still poorly understood. In particular, it is unclear whether a nucleus forms spontaneously from solution via a single- or multiple-step process. Here, using in situ electron microscopy, we show how gold and silver nanocrystals nucleate from supersaturated aqueous solutions in three distinct steps: spinodal decomposition into solute-rich and solute-poor liquid phases, nucleation of amorphous nanoclusters within the metal-rich liquid phase, followed by crystallization of these amorphous clusters. Our ab initio calculations on gold nucleation suggest that these steps might be associated with strong gold-gold atom coupling and water-mediated metastable gold complexes. The understanding of intermediate steps in nuclei formation has important implications for the formation and growth of both crystalline and amorphous materials.

  4. Amyloid fibril networks nucleated under oscillatory shear

    NASA Astrophysics Data System (ADS)

    Batzli, Kiersten; Love, Brian

    2013-03-01

    The process of amyloid fibril formation is of interest due to the link between these self-aggregating proteins and the progression of neurodegenerative disease. More recently, research has been directed at the exploitation of self-assembly properties of amyloid proteins for use as templates for nanowires and fibrillar networks. Insulin is an ideal protein for these purposes due to the ease of aggregation, as well as the large aspect ratio and high chemical stability of the produced fibrils. Insulin in pH 2 solution quickly forms aggregates in the presence of 65 °C heat. We have investigated the effect of oscillatory shear on the nucleation and growth of amyloid fibrillar networks using rheology and TEM to characterize the mechanical properties and structure of the network respectively. We contrast networks nucleated under oscillatory shear with networks nucleated in static and agitated conditions, and discuss network properties in the context of use in templating nanostructures. We find that the structural characteristics of the formed networks, including the density of fibrils, are affected by shear during the nucleation phase of amyloid growth.

  5. Microgravity nucleation and particle coagulation experiments support

    NASA Technical Reports Server (NTRS)

    Lilleleht, L. U.; Lass, T. J.

    1987-01-01

    A hollow sphere model is developed to predict the range of supersaturation ratio values for refractory metal vapors in a proposed experimental nucleation apparatus. Since the experiments are to be carried out in a microgravity environment, the model neglects the effects of convection and assumes that the only transfer of vapors through an inert gas atmosphere is by conduction and molecular diffusion. A consistent set of physical properties data is assembled for the various candidate metals and inert ambient gases expected to be used in the nucleation experiments. Transient partial pressure profiles are computed for the diffusing refractory species for two possible temperature distributions. The supersaturation ratio values from both candidate temperature profiles are compared with previously obtained experimetnal data on a silver-hydrogen system. The model is used to simulate the diffusion of magnesium vapor through argon and other inert gas atmospheres over ranges of initial and boundary conditions. These results identify different combinations of design and operating parameters which are liekly to produce supersaturation ratio values high enough to induce homogeneous nucleation in the apparatus being designed for the microgravity nucleation experiments.

  6. Microgravity nucleation and particle coagulation experiments support

    NASA Technical Reports Server (NTRS)

    Lilleleht, L. U.; Ferguson, F. T.; Stephens, J. R.

    1992-01-01

    Modifications to the nucleation apparatus suggested by our first microgravity flight campaign are complete. These included a complete 'repackaging' of the equipment into three racks along with an improved vapor spout shutter mechanism and additional thermocouples for gas temperature measurements. The 'repackaged' apparatus was used in two KC-135 campaigns: one during the week of June 3, 1991 consisting of two flights with Mg and two with Zn, and another series consisting of three flights with Zn during the week of September 23, 1991. Our effort then was focused on the analysis of these data, including further development of the mathematical models to generate the values of temperature and supersaturation at the observed points of nucleation. The efforts to apply Hale's Scaled Nucleation Theory to our experimental data have met with only limited success, most likely due to still inadequate temperature field determination. Work on the development of a preliminary particle collector system designed to capture particles from the region of nucleation and condensation, as well as from other parts of the chamber, are discussed.

  7. Polymorphic crystals selected in the nucleation stage

    NASA Astrophysics Data System (ADS)

    Zhang, Hui-Jun; Peng, Shu-Ming; Zhou, Xiao-Song; Ju, Xin

    2014-08-01

    Molecular dynamics simulations are used to explore the atomic mechanism of formation of polymorphic crystals. Cooling the Lennard-Jones systems, we observe that the system almost always evolves into a polymorphic crystal with either fivefold-symmetric stacking faults or single-direction stacking faults. The detailed analysis reveals that such an evolution depends on the configuration of fcc/hcp concomitance in the nucleation stage. A defect-induced model is then introduced to illustrate these two evolution routes. Through calculating the formation energies of the defective critical nuclei, we find that the polymorphic crystals seem to be determined by their critical nuclei, in which the relatively lower formation energy ensures the preponderance of the fivefold-symmetric cluster. Before the nucleation, we observe that thermal fluctuations prefer hcp-like particles over fcc-like ones while in the nucleation and growth stage this preference reverses. Notably, an extended step rule of Ostwald is seemingly suitable to characterise the growth process because of the temporary hcp layers appearing among fcc layers in the growth stage. Although the crystalline cluster with single-direction stacking faults has higher growth rate and structural order than its competitor, the component (fcc and hcp) proportion of the final crystals is almost always constant regardless of the polymorphic type. Our finding renews the understanding of the polymorphism of crystals, and possibly draws more attention of people intending to control the polymorphic structures through nucleation.

  8. Optical nucleation of bubble clouds in a high pressure spherical resonator.

    PubMed

    Anderson, Phillip; Sampathkumar, A; Murray, Todd W; Gaitan, D Felipe; Glynn Holt, R

    2011-11-01

    An experimental setup for nucleating clouds of bubbles in a high-pressure spherical resonator is described. Using nanosecond laser pulses and multiple phase gratings, bubble clouds are optically nucleated in an acoustic field. Dynamics of the clouds are captured using a high-speed CCD camera. The images reveal cloud nucleation, growth, and collapse and the resulting emission of radially expanding shockwaves. These shockwaves are reflected at the interior surface of the resonator and then reconverge to the center of the resonator. As the shocks reconverge upon the center of the resonator, they renucleate and grow the bubble cloud. This process is repeated over many acoustic cycles and with each successive shock reconvergence, the bubble cloud becomes more organized and centralized so that subsequent collapses give rise to stronger, better defined shockwaves. After many acoustic cycles individual bubbles cannot be distinguished and the cloud is then referred to as a cluster. Sustainability of the process is ultimately limited by the detuning of the acoustic field inside the resonator. The nucleation parameter space is studied in terms of laser firing phase, laser energy, and acoustic power used.

  9. Forest canopy interactions with nucleation mode particles

    NASA Astrophysics Data System (ADS)

    Pryor, S. C.; Hornsby, K. E.; Novick, K. A.

    2014-07-01

    Forests play a key role in removal of particles from the atmosphere but may also significantly contribute to formation and growth of ultrafine particles. Ultrafine particle size distributions through a deciduous forest canopy indicate substantial capture of nucleation mode particles by the foliage. Concentrations decline with depth into the canopy, such that nucleation mode number concentrations at the bottom of the canopy are an average of 16% lower than those at the top. However, growth rates of nucleation mode particles (diameters 6-30 nm) are invariant with height within the canopy, which implies that the semi-volatile gases contributing to their growth are comparatively well-mixed through the canopy. Growth rates of nucleation mode particles during a meteorological drought year (2012) were substantially lower than during a meteorologically normal year with high soil water potential (2013). This may reflect suppression of actual BVOC emissions by drought and thus reduced production of condensable products (and thus particle growth) during the drought-affected vegetation season. This hypothesis is supported by evidence that growth rates during the normal year exhibit a positive correlation with emissions of biogenic volatile organic compounds (BVOC) modeled based on observed forest composition, leaf area index, temperature and PAR, but particle growth rates during the drought-affected vegetation season are not correlated with modeled BVOC emissions. These data thus provide direct evidence for the importance of canopy capture in atmospheric particle budgets and indirect evidence that drought-stress in forests may reduce BVOC emissions and limit growth of nucleation mode particles to climate-relevant sizes.

  10. Crystallization and nucleation kinetics in volcanic systems

    NASA Astrophysics Data System (ADS)

    Agostini, C.; Fortunati, A.; Carroll, M. R.; Scaillet, B.; Landi, P.

    2011-12-01

    The main objective of this experimental study is to constrain and quantitatively model the complex solidification process that transforms a magma in a solid material. Of major interest are crystal nucleation and growth driven by isothermal decompression of hydrous magmas, and comparison with results from more abundant crystal growth/nucleation data obtained in isobaric cooling experiments. This research concerns two different volcanic systems, Pantelleria (peralkaline rhyolite) and Stromboli (basalt), to better understand how crystallization kinetics can affect different magma compositions. For Stromboli volcanic system TZM apparatus has been used to perform decompression runs at Bayerisches Geoinstitut in Bayreuth (DE). As for Pantelleria composition, cooling experiments has been done using IHPV devices at ISTO of Orléans (FR), on the basis of previous phase equilibrium work (Di Carlo et al., 2010). First obtained results for Stromboli case show high rates of nucleation and crystal growth during the initial stages of crystallization which were followed by crystal growth at approximately constant number densities as equilibrium was approached. Shapes of crystals growing in melts are controlled by the kinetics of crystallization and may provide information about the degree of undercooling experienced by batches of magma en route to the surface (Lofgren, 1980). The study of crystallization kinetics through phases growth rates (Couch et al., 2003), together with the calculation of nucleation density and nucleation rates (Hammer et al., 1999) represent a step toward the estimation of the time scales of magmatic processes in volcanic systems and the interpretation of shallow magmatic processes. The results for Stromboli suggest average crystal growth timescales on the order of weeks, but this is complicated by clear evidence that some crystals have experienced repeated periods of both dissolution and growth (Landi et al., 2004).

  11. Nucleation Pathways For Freezing Of Two Grades Of Zirconium

    NASA Technical Reports Server (NTRS)

    Rhim, Won-Kyu; Rulison, Aaron; Bayuzick, Robert; Hofmeister, William; Morton, Craig

    1996-01-01

    Report discusses classical nucleation theory of freezing and describes experimental study of nucleation mechanisms that predominate during freezing of spherical specimens of initially molten zirconium levitated electrostatically in vacuum.

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

    NASA Astrophysics Data System (ADS)

    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

  13. Ice nucleation in nature: supercooling point (SCP) measurements and the role of heterogeneous nucleation.

    PubMed

    Wilson, P W; Heneghan, A F; Haymet, A D J

    2003-02-01

    In biological systems, nucleation of ice from a supercooled aqueous solution is a stochastic process and always heterogeneous. The average time any solution may remain supercooled is determined only by the degree of supercooling and heterogeneous nucleation sites it encounters. Here we summarize the many and varied definitions of the so-called "supercooling point," also called the "temperature of crystallization" and the "nucleation temperature," and exhibit the natural, inherent width associated with this quantity. We describe a new method for accurate determination of the supercooling point, which takes into account the inherent statistical fluctuations of the value. We show further that many measurements on a single unchanging sample are required to make a statistically valid measure of the supercooling point. This raises an interesting difference in circumstances where such repeat measurements are inconvenient, or impossible, for example for live organism experiments. We also discuss the effect of solutes on this temperature of nucleation. Existing data appear to show that various solute species decrease the nucleation temperature somewhat more than the equivalent melting point depression. For non-ionic solutes the species appears not to be a significant factor whereas for ions the species does affect the level of decrease of the nucleation temperature.

  14. Critical humidities of homogeneous and heterogeneous ice nucleation: Inferences from extended classical nucleation theory

    NASA Astrophysics Data System (ADS)

    Khvorostyanov, Vitaly I.; Curry, Judith A.

    2009-02-01

    A generalization of classical ice nucleation theory is used to derive analytical expressions for the critical (threshold) humidities of homogeneous and heterogeneous freezing. The critical radius and energy of an ice embryo and nucleation rates were derived previously by the authors as functions of temperature, pressure, water saturation ratio, and radii of freezing particles. Here we invert the analytical expressions for the nucleation rates and solve them relative to the critical water and ice saturation ratios (or critical relative humidities). The critical humidities are expressed as analytical functions of temperature, pressure, nucleation or cooling rates, radius of freezing particles and their physico-chemical properties, misfit strain, and activation energy. Calculations of critical ice relative humidities are made using these equations over an extended temperature range down to -75°C and are compared with previous empirical parameterizations and experimental data, and differences are interpreted in the context of variation of the other parameters. It is shown that the critical humidities for heterogeneous ice nucleation are lower than those for homogeneous nucleation; however, this difference is not constant but depends substantially on the temperature and properties of freezing aerosol. Some simple parameterizations for cloud and climate models are suggested.

  15. Nucleation theorems, the statistical mechanics of molecular clusters, and a revision of classical nucleation theory

    NASA Astrophysics Data System (ADS)

    Ford, I. J.

    1997-11-01

    The nucleation theorems relate the temperature and supersaturation dependence of the rate of nucleation of droplets from a metastable vapor phase to properties of the critical molecular cluster, the size that is approximately equally likely to grow or decay. They are derived here using a combination of statistical mechanics and cluster population dynamics, using an arbitrary model cluster definition. The theorems are employed to test the validity of the classical theory of homogeneous nucleation and its ``internally consistent'' form. It is found that the properties of the critical cluster for these models are incorrect, and it emerges that this occurs because the classical theory employs the free energy of a fixed droplet, rather than one free to take any position in space. Thus a term representing positional, or mixing, entropy is missing from the cluster free energy. A revised model is proposed, based on the capillarity approximation but with such a term included, and it is shown that it is fully consistent with the nucleation theorems. The model increases classical rates by factors of approximately 104-106. Other nucleation models should be tested for internal consistency using the same methods. Finally, the nucleation theorems are used to extract the excess internal energies of molecular clusters from experimental data for several substances.

  16. Computer simulation of water vapor nucleation on charged nanoparticles

    NASA Astrophysics Data System (ADS)

    Shevkunov, S. V.

    2009-08-01

    The Monte Carlo method is applied to the study of the formation of condensed-phase nuclei from water vapor on electrically charged silver iodide nanocrystals. This study is a continuation of the investigations carried out earlier in [1] with electrically neutral nucleation centers. Nanoparticles with a size of up to 4 nm and flat nanoparticles with a size of up to 10 nm are investigated. The free energy, entropy, and the work of formation of nuclei with a size of up to 6729 molecules are calculated at the atomic level by the bicanonical statistical ensemble (BSE) method at a temperature of 260 K. Thermodynamic stability of nuclei is investigated depending on the size, shape, and charge of nanocrystal nucleation centers, as well as depending on the presence of crystal defects and the degree of spatial localization of charge on the surface of nanoparticles. The excess charge has a crucial effect on the work of formation of a nucleus only in the case of strong spatial localization of the latter near a point crystal defect; however, this effect is restricted to a relatively small size of the nuclei and therefore cannot substantially enhance the ice-forming activity of nanoparticles. A nucleus that grows on the surface of a nanoparticle evolves through three stages that differ in molecule retention mechanism and thermodynamic stability. The charge of a nanoparticle has a small effect on these factors. The leading factor that determines the ice-forming activity of ion nanocrystals is their intrinsic electric field due to the nonuniform distribution of charge within a unit cell of the crystal lattice.

  17. Undercooling measurement and nucleation study of silicon droplets on various substrates

    NASA Astrophysics Data System (ADS)

    Tsoutsouva, M. G.; Duffar, T.; Chaussende, D.; Kamguem, M.

    2016-10-01

    The heterogeneous nucleation of solid silicon is studied when molten droplets solidify on various substrates. An experimental installation has been developed in order to record in real time the melting-solidification process, measure the undercooling temperature and look at the solidification of the droplets. Three different categories of substrate materials are studied: oxides (silica, zyarock and sapphire), nitrides (silica+oxidized Si3N4 coating, zyarock+oxidized Si3N4 coating, sintered Si3N4, PBN and HIP-BN) and carbon-containing (isostatic graphite, glassy carbon and SiC). Higher undercooling values are measured in the case of oxide substrates where the solidified droplet is found to be mainly composed of a single-crystal. In the case of nitride substrates, a dissolution/precipitation process takes place and β-phase Si3N4 precipitates are found to act as nucleation centers for the silicon solidification. The nucleating power of Si3N4 is attributed to the good epitaxial fit with silicon. Oxidation of Si3N4 powder at a higher temperature increases the undercooling of the droplet. When the silicon droplet is solidified on BN substrates, BN particles are detected on the surface of the droplet as well as a Si3N4 layer at the substrate/Si interface which promotes nucleation. Carbon-containing substrates are found to favor the nucleation of silicon due to the creation of a SiC layer at the substrate/silicon interface and precipitation of SiC particles in the droplets. However, no explanation of the important nucleating effect of SiC has been found.

  18. Nucleation and Growth of Integrin Adhesions

    PubMed Central

    Atilgan, Erdinç; Ovryn, Ben

    2009-01-01

    We present a model that provides a mechanistic understanding of the processes that govern the formation of the earliest integrin adhesions ex novo from an approximately planar plasma membrane. Using an analytic analysis of the free energy of a dynamically deformable membrane containing freely diffusing receptors molecules and long repeller molecules that inhibit integrins from binding with ligands on the extracellular matrix, we predict that a coalescence of polymerizing actin filaments can deform the membrane toward the extracellular matrix and facilitate integrin binding. Monte Carlo simulations of this system show that thermally induced membrane fluctuations can either zip-up and increase the radius of a nucleated adhesion or unzip and shrink an adhesion, but the fluctuations cannot bend the ventral membrane to nucleate an adhesion. To distinguish this integrin adhesion from more mature adhesions, we refer to this early adhesion as a nouveau adhesion. PMID:19413961

  19. Observable effects of anisotropic bubble nucleation

    SciTech Connect

    Blanco-Pillado, Jose J.; Salem, Michael P. E-mail: salem@cosmos.phy.tufts.edu

    2010-07-01

    Our universe may have formed via bubble nucleation in an eternally-inflating background. Furthermore, the background may have a compact dimension — the modulus of which tunnels out of a metastable minimum during bubble nucleation — which subsequently grows to become one of our three large spatial dimensions. Then the reduced symmetry of the background is equivalent to anisotropic initial conditions in our bubble universe. We compute the inflationary spectrum in such a scenario and, as a first step toward understanding the effects of anisotropy, project it onto spherical harmonics. The resulting spectrum exhibits anomalous multipole correlations, their relative amplitude set by the present curvature parameter, which appear to extend to arbitrarily large multipole moments. This raises the possibility of future detection, if slow-roll inflation does not last too long within our bubble. A full understanding of the observational signal must account for the effects of background anisotropy on photon free streaming, and is left to future work.

  20. Dynamics and nucleation of vorticity in superfluids

    NASA Astrophysics Data System (ADS)

    Freire, Jose Arruda De Oliveira

    1997-11-01

    This thesis contains numerical studies on vortex dynamics and on quantum nucleation of vorticity in superfluids at zero temperature. In both cases the superfluid was described by the Gross-Pitaevskii model. In the first part of the thesis, the vortex mass problem is analyzed by a numerical integration of the condensate equation of motion, the nonlinear Schrodinger equation. We were able to extract, from the observed vortex dynamics in a time-dependent superflow, the frequency dependence of the vortex effective mass. In the second part, the problem of quantum nucleation of vorticity in superflows past obstacles, in both one and two dimensions, is studied by the application of the bounce formalism of Coleman (12) to the coherent state action of the Gross-Pitaevskii model. We obtained bounce solutions and tunneling rates by directly solving the field equations for the condensate in imaginary time.

  1. Buckyball Nucleation of HiPco Tubes

    NASA Technical Reports Server (NTRS)

    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.

  2. Communication: Bubbles, crystals, and laser-induced nucleation

    NASA Astrophysics Data System (ADS)

    Knott, Brandon C.; LaRue, Jerry L.; Wodtke, Alec M.; Doherty, Michael F.; Peters, Baron

    2011-05-01

    Short intense laser pulses of visible and infrared light can dramatically accelerate crystal nucleation from transparent solutions; previous studies invoke mechanisms that are only applicable for nucleation of ordered phases or high dielectric phases. However, we show that similar laser pulses induce CO2 bubble nucleation in carbonated water. Additionally, in water that is cosupersaturated with argon and glycine, argon bubbles escaping from the water can induce crystal nucleation without a laser. Our findings suggest a possible link between laser-induced nucleation of bubbles and crystals.

  3. The Nucleation of Cavitation in Aqueous Media

    DTIC Science & Technology

    1985-01-25

    37 9. TllIstration of interfacila motion during - the compression phase of a compression/ decompression process . .................. .. .- 10a...special subcommittee to investigate this phenomenon. In 1917, Lord Rayleigh 5 became involved. His solution - of the equations governing vapor cavity...at the interface between a flat solid and a pure liquid to account for nucleation at the interface between two pure liquids. Apfel’s crevice model was

  4. Nucleation theory using equations of state

    NASA Astrophysics Data System (ADS)

    Obeidat, Abdalla A.

    Various equations of state (EOS) have been used with the most general Gibbsian form (P-form) of classical nucleation theory ( CNT) to see if any improvement could be realized in predicted rates for vapor-to-liquid nucleation. The standard or S-form of CNT relies on the assumption of an incompressible liquid droplet. With the use of realistic EOSs, this assumption is no longer needed. The P-form results for water and heavy water were made using the highly accurate IAPWS-95 EOS and the CREOS. The P-form successfully predicted the temperature (T) supersaturation (S ) dependence of the nucleation rate, although the absolute value was in error by roughly a factor of 100. The results for methanol and ethanol using a less accurate CPHB EOS showed little improvement over the S-form results. Gradient theory (GT), a form of density functional theory (DFT), was applied to water and alcohols using the CPHB EOS. The water results showed an improved T dependence, but the S dependence was slightly poorer compared to the S-form of CNT. The methanol and ethanol results were improved by several orders of magnitude in the predicted rates. GT and P-form CNT were also found to be in good agreement with a single high T molecular dynamics rate for TIP4P water. The P-form of binary nucleation theory was studied for a fictitious water-ethanol system whose properties were generated from DFT and a mean-field EOS for a hard sphere Yukawa fluid. The P-form was not successful in removing the unphysical behavior predicted by binary CNT in its simplest form. The DFT results were greatly superior to all forms of classical theory.

  5. Volume versus surface nucleation in freezing aerosols

    NASA Astrophysics Data System (ADS)

    Sigurbjörnsson, Ómar F.; Signorell, Ruth

    2008-05-01

    The present study puts an end to the ongoing controversy regarding volume versus surface nucleation in freezing aerosols: Our study on nanosized aerosol particles demonstrates that current state of the art measurements of droplet ensembles cannot distinguish between the two mechanisms. The reasons are inherent experimental uncertainties as well as approximations used to analyze the kinetics. The combination of both can lead to uncertainties in the rate constants of two orders of magnitude, with important consequences for the modeling of atmospheric processes.

  6. Nucleation and Heat Transfer in Liquid Nitrogen

    NASA Astrophysics Data System (ADS)

    Roth, Eric Warner

    1993-01-01

    With the advent of the new high Tc superconductors as well as the increasing use of cryo-cooled conventional electronics, liquid nitrogen will be one of the preferred cryogens used to cool these materials. Consequently, a more thorough understanding of the heat transfer characteristics of liquid nitrogen is required. In these investigations the transient heating characteristics of liquid nitrogen to states of nucleate and film boiling under different liquid flow conditions are examined. Using a metal hot wire/plate technique, it is verified that there is a premature transition to film boiling in the transient case at power levels as much as 30 percent lower than under steady state nucleate boiling conditions. It is also shown that the premature transition can be reduced or eliminated depending on the flow velocity. The second part of this research analyses the nucleation (boiling) process from a dynamical systems point of view. By observing how the boiling system variables evolve and fluctuate over time, it is hoped that physical insight and predictive information can be gained. One goal is to discover some indicator or signature in the data that anticipates the transition from nucleate boiling to film boiling. Some of the important variables that make up the boiling system are the temperature of the heater and the heat flux through the heater surface into the liquid nitrogen. The result, gained by plotting the system's trajectory in the heat flux-temperature plane, is that on average the system follows a counterclockwise trajectory. A physical model is constructed that explains this behavior. Also, as the applied heater power approaches levels at which the transition to film is known to occur, the area per unit time swept out in the heat flux-temperature plane is seen to reach a maximum. This could be of practical interest as the threshold to film boiling can be anticipated and possibly prevented.

  7. Nucleation of nitrogen: experiment and theory

    SciTech Connect

    Wegener, P.P.

    1987-05-07

    Experimental results on the condensation of pure nitrogen in the supersaturated state are collected. New experiments on pure N2 and N2 in He are added. A comparison of experiment and the classical theory of nucleation using the liquid drop approach and recent work by Pal and Hoare computing energies of formation of microclusters of Lennard-Jones N2 is made. The new results give satisfactory agreement with experiment in their range of applicability.

  8. Vortex-nucleating Zeeman resonance in axisymmetric rotating Bose-Einstein condensates.

    PubMed

    Reinisch, Gilbert

    2007-09-21

    By use of the Larmor equivalence between uniform rotation and a magnetic field, we consider in the strong-interaction Thomas-Fermi regime the single centered vortex as the first Zeeman-like excited state of the axisymmetric rotating Bose-Einstein condensate. This yields a resonant-drive nucleation mechanism whose threshold is in quite good agreement with ENS, MIT, and JILA experimental results.

  9. Systematic coarse-graining in nucleation theory

    SciTech Connect

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

    2015-08-21

    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. Crystallization of Nucleator Nanofibrils in Polypropylene Melt

    NASA Astrophysics Data System (ADS)

    Lipp, J.; Cohen, Y.; Khalfin, R. L.; Shuster, M.; Terry, A. E.

    2007-03-01

    Self-associating molecules act as nucleating agents in polypropylene (PP) in order to increase the crystallization rate and decrease the crystallite size, by forming a fine network of nanofibrils within the polymer melt. The thermodynamic and kinetic basis for formation of this structure is not clear. Current models usually invoke a spinodal decomposition mechanism, as temperature is lowered into an immiscibility gap. This presentation deals with 1,3:2,4-Di(3,4-dimethylbenzylidene)sorbitol [dMdBS] in PP. The kinetics of structure formation was evaluated using small angle x-ray scattering, including synchrotron measurements. The results indicate a crystallization process by means of a nucleation and growth mechanism, which is controlled by the rate of homogeneous nucleation. The thermodynamic temperature of this process, determined for two different dMdBS concentrations from the temperature dependence of the crystallization half-time, agrees with that obtained by group-contribution calculation of the solubility parameters. dMdBS nanofibril formation has a remarkable effect on PP crystallization in melt-spun fibers. Just 0.4% additive at a moderate spin-draw ratio yields a crystalline morphology comprised of parallel chain-folded lamellae, with the lamellar normal highly aligned along the fiber axis.

  11. Ice nucleation of bioaerosols - a resumee

    NASA Astrophysics Data System (ADS)

    Pummer, Bernhard G.; Atanasova, Lea; Bauer, Heidi; Bernardi, Johannes; Chazallon, Bertrand; Druzhinina, Irina S.; Grothe, Hinrich

    2013-04-01

    The role of biological particles for ice nucleation (IN) is still debated. Here, we present a summary of investigation and comparison of different ice nuclei. Apart from the bacterial ice nucleation proteins in Snomax, we further investigated a broad spectrum of pollen and fungal spores in the search for ice nucleation activity. Apart from Snomax, only few samples showed vital IN activity, like Fusarium avenaceum spores and Betula pendula pollen. Chemical characterization accentuated the differences between bacterial and pollen ice nuclei. Exposure to natural stresses, like UV and NOx, led to a significant decrease in IN activity. Furthermore, the releasable fraction of the pollen material, which includes the ice nuclei, was extracted with water and dried up. These residues were investigated with Raman spectroscopy and compared with the spectra of whole pollen grains. Measurements clearly demonstrated that the aqueous fraction contained mainly saccharides, lipids and proteins, but no sporopollenin, which is the bulk material of the outer pollen wall. Fungal spores of ecologically, economically or otherwise relevant species were also investigated. Most species showed no significant IN activity at all. A few species showed a slight increase in freezing temperature, but still significantly below the activity of the most active pollen or mineral dusts. Only Fusarium avenaceum showed strong IN activity. Cultivation of Fusarium and Trichoderma (close relatives of Fusarium) at different temperatures showed changes in total protein expression, but no impact on the IN activity.

  12. Black holes as bubble nucleation sites

    NASA Astrophysics Data System (ADS)

    Gregory, Ruth; Moss, Ian G.; Withers, Benjamin

    2014-03-01

    We consider the effect of inhomogeneities on the rate of false vacuum decay. Modelling the inhomogeneity by a black hole, we construct explicit Euclidean instantons which describe the nucleation of a bubble of true vacuum centred on the inhomogeneity. We find that inhomogeneity significantly enhances the nucleation rate over that of the Coleman-de Luccia instanton — the black hole acts as a nucleation site for the bubble. The effect is larger than previously believed due to the contributions to the action from conical singularities. For a sufficiently low initial mass, the original black hole is replaced by flat space during this process, as viewed by a single causal patch observer. Increasing the initial mass, we find a critical value above which a black hole remnant survives the process. This resulting black hole can have a higher mass than the original black hole, but always has a lower entropy. We compare the process to bubble-to-bubble transitions, where there is a semi-classical Lorentzian description in the WKB approximation.

  13. Nucleation and particle coagulation experiments in microgravity

    NASA Technical Reports Server (NTRS)

    Nuth, J.

    1987-01-01

    Measurements of the conditions under which carbon, aluminum oxide, and silicon carbide smokes condense and of the morphology and crystal structure of the resulting grains are essential if the nature of the materials ejected into the interstellar medium and the nature of the grains which eventually became part of the proto solar nebular are to be understood. Little information is currently available on the vapor-solid phase transitions of refractory metals and solids. What little experimental data do exist are, however, not in agreement with currently accepted models of the nucleation process for more volatile materials. The major obstacle to performing such experiments in earth-based laboratories is the susceptibility of these systems to convection. Evaporation of refractory materials into a low-pressure environment with a carefully controlled temperature gradient will produce refractory smokes when the critical supersaturation of the system is exceeded. Measurement of the point at which nucleation occurs, via light scattering or extinction, can not only yield nucleation data but also, information on the chemical composition and crystal structure of the condensate. Experimental requirements are presented.

  14. Nucleation and structural growth of cluster crystals.

    PubMed

    Leitold, Christian; Dellago, Christoph

    2016-08-21

    We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n = 4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with multiply occupied lattice sites. Here, we investigate the microscopic mechanisms that lead to the formation of cluster crystals from a supercooled liquid in the low-temperature region of the phase diagram. Using molecular dynamics and umbrella sampling, we calculate the free energy as a function of the size of the largest crystalline nucleus in the system, and compare our results with predictions from classical nucleation theory. Employing bond-order parameters based on a Voronoi tessellation to distinguish different crystal structures, we analyze the average composition of crystalline nuclei. We find that even for conditions where a multiply occupied fcc crystal is the thermodynamically stable phase, the nucleation into bcc cluster crystals is strongly preferred. Furthermore, we study the particle mobility in the supercooled liquid and in the cluster crystal. In the cluster crystal, the motion of individual particles is captured by a simple reaction-diffusion model introduced previously to model the kinetics of hydrogen bonds.

  15. Kinetic theory of diffusion-limited nucleation.

    PubMed

    Philippe, T; Bonvalet, M; Blavette, D

    2016-05-28

    We examine binary nucleation in the size and composition space {R,c} using the formalism of the multivariable theory [N. V. Alekseechkin, J. Chem. Phys. 124, 124512 (2006)]. We show that the variable c drops out of consideration for very large curvature of the new phase Gibbs energy with composition. Consequently nuclei around the critical size have the critical composition, which is derived from the condition of criticality for the canonical variables and is found not to depend on surface tension. In this case, nucleation kinetics can be investigated in the size space only. Using macroscopic kinetics, we determine the general expression for the condensation rate when growth is limited by bulk diffusion, which accounts for both diffusion and capillarity and exhibits a different dependence with the critical size, as compared with the interface-limited regime. This new expression of the condensation rate for bulk diffusion-limited nucleation is the counterpart of the classical interface-limited result. We then extend our analysis to multicomponent solutions.

  16. Microgravity nucleation and particle coagulation experiments support

    NASA Technical Reports Server (NTRS)

    Lilleleht, L. U.; Ferguson, F. T.; Stephens, J. R.

    1992-01-01

    This project is a part of a program at GSFC to study to formation and growth of cosmic dust grain analogs under terrestrial as well as microgravity conditions. Its primary scientific objective is to study the homogeneous nucleation of refractory metal vapors and a variety of their oxides among others, while the engineering, and perhaps a more immediate objective is to develop a system capable of producing mono-dispersed, homogeneous suspensions of well-characterized refractory particles for various particle interaction experiments aboard the Space Shuttle and Space Station Freedom. Both of these objectives are to be met by a judicious combination of laboratory experiments on the ground and aboard NASA's KC-135 experimental research aircraft. Major effort during the current reporting period was devoted to the evaluation of our very successful first series of microgravity test runs in Feb. 1990. Although the apparatus performed well, it was decided to 'repackage' the equipment for easier installation on the KC-135 and access to various components. It will now consist of three separate racks: one each for the nucleation chamber, the power subsystem, and the electronic packages. The racks were fabricated at the University of Virginia and the assembly of the repackaged units is proceeding well. Preliminary analysis of the video data from the first microgravity flight series was performed and the results appear to display some trends expected from Hale's Scaled Nucleation Theory of 1986. The data acquisition system is currently being refined.

  17. The Nucleation and Growth of Protein Crystals

    NASA Technical Reports Server (NTRS)

    Pusey, Marc

    2004-01-01

    Obtaining crystals of suitable size and high quality continues to be a major bottleneck in macromolecular crystallography. Currently, structural genomics efforts are achieving on average about a 10% success rate in going from purified protein to a deposited crystal structure. Growth of crystals in microgravity was proposed as a means of overcoming size and quality problems, which subsequently led to a major NASA effort in microgravity crystal growth, with the agency also funding research into understanding the process. Studies of the macromolecule crystal nucleation and growth process were carried out in a number of labs in an effort to understand what affected the resultant crystal quality on Earth, and how microgravity improved the process. Based upon experimental evidence, as well as simple starting assumptions, we have proposed that crystal nucleation occurs by a series of discrete self assembly steps, which 'set' the underlying crystal symmetry. This talk will review the model developed, and its origins, in our laboratory for how crystals nucleate and grow, and will then present, along with preliminary data, how we propose to use this model to improve the success rate for obtaining crystals from a given protein.

  18. Images and properties of individual nucleated particles

    NASA Astrophysics Data System (ADS)

    Németh, Zoltán; Pósfai, Mihály; Nyirő-Kósa, Ilona; Aalto, Pasi; Kulmala, Markku; Salma, Imre

    2015-12-01

    Atmospheric aerosol particles were collected in Budapest, Hungary in April-June onto lacey Formvar substrates by using an electrostatic precipitator during the beginning phase of the particle growth process in ten nucleation and growth events. Median contribution of the nucleated particles - expressed as the concentration of particles with a diameter between 6 and 25 nm to the total particle number concentration - was 55%, and the median electrical mobility diameter of the particles was approximately 20 nm. The sample was investigated using high-resolution transmission electron microscopy (TEM) and electron energy-loss spectroscopy. Major types of individual particles such as soot, sulphate/organic and tar ball particles were identified in the sample. In addition, particles with an optical diameter range of 10-30 nm were also observed. They clearly differed from the other particle types, showed homogeneous contrast in the bright-field TEM images, and evaporated within tens of seconds when exposed to the electron beam. They were interpreted as representatives of freshly nucleated particles.

  19. Enhancements of Nucleate Boiling Under Microgravity Conditions

    NASA Technical Reports Server (NTRS)

    Zhang, Nengli; Chao, David F.; Yang, W. J.

    2000-01-01

    This paper presents two means for enhancing nucleate boiling and critical heat flux under microgravity conditions: using micro-configured metal-graphite composites as the boiling surface and dilute aqueous solutions of long-chain alcohols as the working fluid. In the former, thermocapillary force induced by temperature difference between the graphite-fiber tips and the metal matrix plays an important role in bubble detachment. Thus boiling-heat transfer performance does not deteriorate in a reduced-gravity environment. In the latter cases, the surface tension-temperature gradient of the long-chain alcohol solutions turns positive as the temperature exceeds a certain value. Consequently, the Marangoni effect does not impede, but rather aids in bubble departure from the heating surface. This feature is most favorable in microgravity. As a result, the bubble size of departure is substantially reduced at higher frequencies. Based on the existing experimental data, and a two-tier theoretical model, correlation formulas are derived for nucleate boiling on the copper-graphite and aluminum-graphite composite surfaces, in both the isolated and coalesced bubble regimes. In addition, performance equations for nucleate boiling and critical heat flux in dilute aqueous solutions of long-chain alcohols are obtained.

  20. Turbidimetric study of fluorite nucleation in solution.

    PubMed

    Lundager Madsen, Hans E

    2007-03-15

    Precipitation of fluorite (calcium fluoride) from solution at 30 and 37 degrees C has been studied by measurement of turbidity at different wavelengths, analyzing the data with the aid of the Mie theory of light scattering from small particles. In this way both number density and average particle size were obtained as functions of time. The values were confirmed by sedimentation analysis. In the later part of the process the results were strongly influenced by agglomeration and sedimentation, but the initial part of the curve of number density vs time was useful in determination of nucleation kinetics. The trend of nucleation frequency vs supersaturation agreed well with the classical theory of Becker, Döring, Volmer, Zel'dovich, and Frenkel, and surface energies equal to 102 mJ/m(2) at 30 degrees C and 89 mJ/m(2) at 37 degrees C were found. On the other hand, the absolute rate of nucleation was many orders of magnitude lower than that predicted by the theory, which is ascribed to an overestimate of the rate of growth of postcritical nuclei.

  1. Nonequilibrium statistical mechanics of nanotube nucleation

    NASA Astrophysics Data System (ADS)

    Artyukhov, Vasilii I.; Yakobson, Boris I.

    A key problem that advanced carbon nanotube applications face is the difficulty of producing pure single-helicity samples. As the elementary processes of nanotube growth are difficult to observe in situ, theoretical understanding of the process is especially important. Direct molecular dynamics simulations offer limited insight due to computational intractability of space- and time-scales involved. We formulated a theory that explains a class of helicity-selective growth experiments, based on classical nucleation theory and crystal growth kinetics.1 However, a general theory of nanotube growth must also include fast irreversible growth beyond the classical near-equilibrium assumption. Here we construct a coarse-grained model allowing us to rigorously investigate the statistical mechanics of nanotube nucleation and trace how helicity emerges from the global nucleation trajectory ensemble. Importantly, our model can handle the whole range of conditions from perfect reversibility driven by energetics to perfect irreversibility driven by configurational entropy of nanotube caps and edges. Our theory generalizes earlier models in a large advance towards ultimate understanding of helicity-selective synthesis. 1 V.I. Artyukhov, E.S. Penev, and B.I. Yakobson, Nat. Commun. 5, 4892 (2014)

  2. Freezing Rate Due to Heterogeneous Nucleation.

    NASA Astrophysics Data System (ADS)

    Vali, Gabor

    1994-07-01

    The heterogeneous nucleation of ice from supercooled water is influenced by the nature of the foreign nuclei that serve as the sites for ice embryo formation, and by the stochastic nature of the process of embryo growth to critical size. The relative roles of these two factors have been the subject of some debate, especially as they influence the way nucleation of ice is modeled in clouds. `Freezing rate' is defined as the time-dependent rate at which a population of macroscopically identical samples (e.g., drops in a volume of air) freeze due to the nuclei contained in them. Freezing rate is the combined result of nucleus content and of time dependence. The time-dependent freezing rate model (TDFR) is consistent with available empirical evidence. For droplets cooled at rates of the order of 1°C per min, the nucleus content, or nucleus spectrum, predicts the freezing rate with reasonable accuracy. For samples exposed to a fixed temperature, the time dependence of the freezing rate becomes important, but the probability of freezing is not the same for each individual of the sample population. Stochastic models are not supported by the results. Application of the TDFR model and use of measured freezing nucleus data for precipitation provide a basis for the description of ice formation via immersion-freezing nucleation in cloud models. Limitations to full development of these models arise from inadequate knowledge about the freezing nucleus content of cloud water as a function of cloud evolution.

  3. Nonclassical nucleation and growth of inorganic nanoparticles

    NASA Astrophysics Data System (ADS)

    Lee, Jisoo; Yang, Jiwoong; Kwon, Soon Gu; Hyeon, Taeghwan

    2016-08-01

    The synthesis of nanoparticles with particular compositions and structures can lead to nanoparticles with notable physicochemical properties, thus promoting their use in various applications. In this area of nanoscience, the focus is shifting from size- and shape-uniform single-component nanoparticles to multicomponent nanoparticles with enhanced performance and/or multifunctionality. With the increasing complexity of synthetic reactions, an understanding of the formation mechanisms of the nanoparticles is needed to enable a systematic synthetic approach. This Review highlights mechanistic studies underlying the synthesis of nanoparticles, with an emphasis on nucleation and growth behaviours that are not expected from classical theories. We discuss the structural properties of nanoclusters that are of a size that bridges molecules and solids. We then describe the role of nanoclusters in the prenucleation process as well as in nonclassical nucleation models. The growth of nanoparticles via the assembly and merging of primary particles is also overviewed. Finally, we present the heterogeneous nucleation mechanisms behind the synthesis of multicomponent nanoparticles.

  4. A nanoscale temperature-dependent heterogeneous nucleation theory

    SciTech Connect

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

    2015-06-14

    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.

  5. Inorganic Nanoparticle Nucleation on Polymer Matrices

    NASA Astrophysics Data System (ADS)

    Kosteleski, Adrian John

    The introduction of inorganic nanoparticles into organic materials enhances both the mechanical and chemical properties of the material. Metallic nanoparticles, like silver and gold, have been introduced into polymers for use as antimicrobial coatings or dielectric materials, respectively. The challenge in creating these materials currently is the difficulty to homogeneously disperse the particles throughout the polymer matrix. The uneven dispersion of nanoparticles can lead to less than optimal quality and undesired properties. By creating a polymer nanocomposite material with well-controlled size inorganic materials that are evenly dispersed throughout the polymer matrix; we can improve the materials performance and properties. The objective for this research is to use polymer networks for the in situ mineralization of silver and other metallic materials to create intricate inorganic structures. The work performed here studied the ability to nucleate silver nanoparticles using poly (acrylic acid) (PAA) as the templating agent. Ionic silver was chemically reduced by sodium borohydride (NaBH4) in the presence of PAA. The effect of varying reactant concentrations of silver, NaBH 4, and PAA on particle size was studied. Reaction conditions in terms of varying temperature and pH levels of the reaction solution were monitored to observe the effect of silver nanoparticle size, shape, and concentration. By monitoring the UV spectra over time the reaction mechanism of the silver reduction process was determined to be an autocatalytic process: a period of slow, continuous nucleation followed by rapid, autocatalytic growth. The reaction kinetics for this autocatalytic process is also reported. PAA was crosslinked both chemically and physically to 3 biopolymers; ELP, an elastin like peptide, cotton fabrics, and calcium alginate hydrogels. Various compositions of PAA were physically crosslinked with calcium alginate gels to design an antimicrobial hydrogel for use in wound

  6. Role of Nucleation and Growth in Two-Phase Microstructure Formation

    SciTech Connect

    Shin, Jong Ho

    2007-01-01

    oscillatory microstructures that depend on the imposed velocity and the size of the sample. At low thermal gradient to velocity ratio, a steady-state composite microstructure is observed. Two mechanisms of composite microstructure formation were examined: (1) the formation of the peritectic phase in the intercellular region of the primary phase where the solute rejected by the primary phase is absorbed by the peritectic phase. The peritectic phase forms a small distance behind the growing primary phase front. (2) The second mechanism is the coupled growth of the two phases with a macroscopically planar interface, as in the case of eutectic growth. Detailed studies showed that this composite microstructure, although it appears as a eutectic microstructure, did not grow in the coupled manner at the advancing interface in the Sn-cd system. However, a new observation was made when experiments were carried out in thin ampoule of Ta. The peritectic phase nucleated at the wall-interface triple junction and grew along the wall, while the primary phase continued to grow at the center, giving rise to a steady-state couple growth at some specific velocity. The mechanism of coupled growth in this case was shown to be operative due to the presence of a finite contact angle at the wall, and this was demonstrated by including the contact angle effect at the wall in the rod eutectic growth model. The experimental results were summarized to map out the conditions of thermal gradient and velocity on the regimes of composite and oscillatory microstructure formation. The formation of complex time-dependent microstructures was then discussed in terms of the time-dependent dynamics of planar interface growth.

  7. The ice nucleation activity of biological aerosols

    NASA Astrophysics Data System (ADS)

    Grothe, H.; Pummer, B.; Bauer, H.; Bernardi, J.

    2012-04-01

    Primary Biological Aerosol Particles (PBAPs), including bacteria, spores and pollen may be important for several atmospheric processes. Particularly, the ice nucleation caused by PBAPs is a topic of growing interest, since their impact on ice cloud formation and thus on radiative forcing, an important parameter in global climate is not yet fully understood. In laboratory model studies we investigated the ice nucleation activity of selected PBAPs. We studied the immersion mode freezing using water-oil emulsion, which we observed by optical microscopy. We particularly focused on pollen. We show that pollen of different species strongly differ in their ice nucleation behavior. The average freezing temperatures in laboratory experiments range from 240 K to 255 K. As the most efficient nuclei (silver birch, Scots pine and common juniper pollen) have a distribution area up to the Northern timberline, their ice nucleation activity might be a cryoprotective mechanism. For comparison the ice nucleation activity of Snomax, fungal spores, and mushrooms will be discussed as well. In the past, pollen have been rejected as important atmospheric IN, as they are not as abundant in the atmosphere as bacteria or mineral dust and are too heavy to reach higher altitudes. However, in our experiments (Pummer et al. 2011) it turned out that water, which had been in contact with pollen and then been separated from the bodies, nucleates as good as the pollen grains themselves. So the ice nuclei have to be easily-suspendable macromolecules (100-300 kDa) located on the pollen. Once extracted, they can be distributed further through the atmosphere than the heavy pollen grains and so augment the impact of pollen on ice cloud formation even in the upper troposphere. It is widely known, that material from the pollen, like allergens and sugars, can indeed leave the pollen body and be distributed independently. The most probable mechanism is the pollen grain bursting by rain, which releases

  8. Microtubule nucleation remote from centrosomes may explain how asters span large cells.

    PubMed

    Ishihara, Keisuke; Nguyen, Phuong A; Groen, Aaron C; Field, Christine M; Mitchison, Timothy J

    2014-12-16

    A major challenge in cell biology is to understand how nanometer-sized molecules can organize micrometer-sized cells in space and time. One solution in many animal cells is a radial array of microtubules called an aster, which is nucleated by a central organizing center and spans the entire cytoplasm. Frog (here Xenopus laevis) embryos are more than 1 mm in diameter and divide with a defined geometry every 30 min. Like smaller cells, they are organized by asters, which grow, interact, and move to precisely position the cleavage planes. It has been unclear whether asters grow to fill the enormous egg by the same mechanism used in smaller somatic cells, or whether special mechanisms are required. We addressed this question by imaging growing asters in a cell-free system derived from eggs, where asters grew to hundreds of microns in diameter. By tracking marks on the lattice, we found that microtubules could slide outward, but this was not essential for rapid aster growth. Polymer treadmilling did not occur. By measuring the number and positions of microtubule ends over time, we found that most microtubules were nucleated away from the centrosome and that interphase egg cytoplasm supported spontaneous nucleation after a time lag. We propose that aster growth is initiated by centrosomes but that asters grow by propagating a wave of microtubule nucleation stimulated by the presence of preexisting microtubules.

  9. Orientation and Morphology of Calcite Nucleated under Floating Monolayers: A Magnesium-ion-enhanced Nucleation Study

    SciTech Connect

    B Stripe; A Uysal; P Dutta

    2011-12-31

    We have studied the biomimetic growth of calcium carbonate crystals under floating monolayer templates, in the presence of Mg ions, using grazing incidence X-ray diffraction and SEM imaging. Crystals grown under sulfate monolayers nucleate from the (0 0 1) plane with and without Mg ions, while undergoing substantial changes in morphology. Crystals grown under alcohol monolayers nucleate from the (1 0 4) plane in the presence of Mg. X-ray data do not detect orientation in crystals grown under acid monolayers, but at higher Mg concentrations the resulting morphologies are indicative of template-nucleated growth. These results suggest that Mg provides living organisms a way to enhance the orientation and control the morphology of acid-templated crystals.

  10. Nucleate Boiling Heat Transfer Studied Under Reduced-Gravity Conditions

    NASA Technical Reports Server (NTRS)

    Chao, David F.; Hasan, Mohammad M.

    2000-01-01

    Boiling is known to be a very efficient mode of heat transfer, and as such, it is employed in component cooling and in various energy-conversion systems. In space, boiling heat transfer may be used in thermal management, fluid handling and control, power systems, and on-orbit storage and supply systems for cryogenic propellants and life-support fluids. Recent interest in the exploration of Mars and other planets and in the concept of in situ resource utilization on the Martian and Lunar surfaces highlights the need to understand how gravity levels varying from the Earth's gravity to microgravity (1g = or > g/g(sub e) = or > 10(exp -6)g) affect boiling heat transfer. Because of the complex nature of the boiling process, no generalized prediction or procedure has been developed to describe the boiling heat transfer coefficient, particularly at reduced gravity levels. Recently, Professor Vijay K. Dhir of the University of California at Los Angeles proposed a novel building-block approach to investigate the boiling phenomena in low-gravity to microgravity environments. This approach experimentally investigates the complete process of bubble inception, growth, and departure for single bubbles formed at a well-defined and controllable nucleation site. Principal investigator Professor Vijay K. Dhir, with support from researchers from the NASA Glenn Research Center at Lewis Field, is performing a series of pool boiling experiments in the low-gravity environments of the KC 135 microgravity aircraft s parabolic flight to investigate the inception, growth, departure, and merger of bubbles from single- and multiple-nucleation sites as a function of the wall superheat and the liquid subcooling. Silicon wafers with single and multiple cavities of known characteristics are being used as test surfaces. Water and PF5060 (an inert liquid) were chosen as test liquids so that the role of surface wettability and the magnitude of the effect of interfacial tension on boiling in reduced

  11. Analytic determination of the number of nucleation sites in nucleate boiling of liquids on real surfaces

    SciTech Connect

    Kopp, I.Z. )

    1989-11-01

    The solution of the problem of intersection with a level is used as the basis for the probabilistic approach to describing the microtopography of a real surface on the assumption that the number of its projections is equal to the number of its pits. In this way one determines the number of nucleation sites. Starting with determination of the stable size of the vapor-phase nucleus generated in pits of rough surfaces, numerical solutions are obtained for the number of nucleation sites. This number provides to be in satisfactory agreement with the experimental data on the boiling of water on various surfaces.

  12. Homogeneous vs. heterogeneous nucleation in water-dicarboxylic acid systems

    NASA Astrophysics Data System (ADS)

    Hienola, A. I.; Vehkamäki, H.; Riipinen, I.; Kulmala, M.

    2009-03-01

    Binary heterogeneous nucleation of water-succinic/glutaric/malonic/adipic acid on nanometer-sized particles is investigated within the frame of classical heterogeneous nucleation theory. Homogeneous nucleation is also included for comparison. It is found that the nucleation probabilities depend on the contact angle and on the size of the seed particles. New thermodynamical properties, such as saturation vapor pressure, density and surface tension for all the dicarboxylic acid aqueous solutions are included in the calculations. While the new surface tension and density formulations do not bring any significant difference in the computed nucleation rate for homogeneous nucleation for succinic and glutaric acids, the use of the newly derived equations for the vapor pressure decrease the acid concentrations in gas phase by 3 orders of magnitude. According to our calculations, the binary heterogeneous nucleation of succinic acid-water and glutaric acid-water - although it requires a 3-4 orders of magnitude lower vapor concentrations than the homogeneous nucleation - cannot take place under atmospheric conditions. On the other hand binary homogeneous nucleation of adipic acid-water systems might be possible under conditions occuring in upper boundary layer. However, a more detailed characterization of the interaction between the surface and the molecules of the nucleating vapor should be considered in the future.

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

    PubMed

    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.

  14. Overview: Experimental studies of crystal nucleation: Metals and colloids

    NASA Astrophysics Data System (ADS)

    Herlach, Dieter M.; Palberg, Thomas; Klassen, Ina; Klein, Stefan; Kobold, Raphael

    2016-12-01

    Crystallization is one of the most important phase transformations of first order. In the case of metals and alloys, the liquid phase is the parent phase of materials production. The conditions of the crystallization process control the as-solidified material in its chemical and physical properties. Nucleation initiates the crystallization of a liquid. It selects the crystallographic phase, stable or meta-stable. Its detailed knowledge is therefore mandatory for the design of materials. We present techniques of containerless processing for nucleation studies of metals and alloys. Experimental results demonstrate the power of these methods not only for crystal nucleation of stable solids but in particular also for investigations of crystal nucleation of metastable solids at extreme undercooling. This concerns the physical nature of heterogeneous versus homogeneous nucleation and nucleation of phases nucleated under non-equilibrium conditions. The results are analyzed within classical nucleation theory that defines the activation energy of homogeneous nucleation in terms of the interfacial energy and the difference of Gibbs free energies of solid and liquid. The interfacial energy acts as barrier for the nucleation process. Its experimental determination is difficult in the case of metals. In the second part of this work we therefore explore the potential of colloidal suspensions as model systems for the crystallization process. The nucleation process of colloids is observed in situ by optical observation and ultra-small angle X-ray diffraction using high intensity synchrotron radiation. It allows an unambiguous discrimination of homogeneous and heterogeneous nucleation as well as the determination of the interfacial free energy of the solid-liquid interface. Our results are used to construct Turnbull plots of colloids, which are discussed in relation to Turnbull plots of metals and support the hypothesis that colloids are useful model systems to investigate crystal

  15. Identification & Characterization of Fungal Ice Nucleation Proteins

    NASA Astrophysics Data System (ADS)

    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.

  16. Ubiquity of biological ice nucleators in snowfall.

    PubMed

    Christner, Brent C; Morris, Cindy E; Foreman, Christine M; Cai, Rongman; Sands, David C

    2008-02-29

    Despite the integral role of ice nucleators (IN) in atmospheric processes leading to precipitation, their sources and distributions have not been well established. We examined IN in snowfall from mid- and high-latitude locations and found that the most active were biological in origin. Of the IN larger than 0.2 micrometer that were active at temperatures warmer than -7 degrees C, 69 to 100% were biological, and a substantial fraction were bacteria. Our results indicate that the biosphere is a source of highly active IN and suggest that these biological particles may affect the precipitation cycle and/or their own precipitation during atmospheric transport.

  17. Solute Nucleation and Growth in Supercritical Fluid Mixtures

    NASA Technical Reports Server (NTRS)

    Smedley, Gregory T.; Wilemski, Gerald; Rawlins, W. Terry; Joshi, Prakash; Oakes, David B.; Durgin, William W.

    1996-01-01

    This research effort is directed toward two primary scientific objectives: (1) to determine the gravitational effect on the measurement of nucleation and growth rates near a critical point and (2) to investigate the nucleation process in supercritical fluids to aid in the evaluation and development of existing theoretical models and practical applications. A nucleation pulse method will be employed for this investigation using a rapid expansion to a supersaturated state that is maintained for approximately 1 ms followed by a rapid recompression to a less supersaturated state that effectively terminates nucleation while permitting growth to continue. Nucleation, which occurs during the initial supersaturated state, is decoupled from growth by producing rapid pressure changes. Thermodynamic analysis, condensation modeling, apparatus design, and optical diagnostic design necessary for the initiation of a theoretical and experimental investigation of naphthalene nucleation from supercritical CO2 have been completed.

  18. Molecular dynamics simulations of cluster nucleation during inert gas condensation.

    PubMed

    Krasnochtchekov, Pavel; Averback, R S

    2005-01-22

    Molecular dynamics simulations of vapor-phase nucleation of germanium in an argon atmosphere were performed and a unexpected channel of nucleation was observed. This channel, vapor-induced cluster splitting, is important for more refractory materials since the critical nucleus size can fall below the size of a dimer. As opposed to conventional direct vapor nucleation of the dimer, which occurs by three-body collisions, cluster-splitting nucleation is a second-order reaction. The most important cluster-splitting reaction is the collision of a vapor atom and a trimer that leads to the formation of two dimers. The importance of the cluster-splitting nucleation channel relative to the direct vapor nucleation channel is observed to increase with decreasing vapor density and increasing ratio of vapor to carrier gas atoms.

  19. Comparative study on methodology in molecular dynamics simulation of nucleation

    NASA Astrophysics Data System (ADS)

    Julin, Jan; Napari, Ismo; Vehkamäki, Hanna

    2007-06-01

    Gas-liquid nucleation of 1000 Lennard-Jones atoms is simulated to evaluate temperature regulation methods and methods to obtain nucleation rate. The Berendsen and the Andersen thermostats are compared. The Berendsen thermostat is unable to control the temperature of clusters larger than the critical size. Independent of the thermostating method the velocities of individual atoms and the translational velocities of clusters up to at least six atoms are accurately described by the Maxwell velocity distribution. Simulations with the Andersen thermostat yield about two times higher nucleation rates than those with the Berendsen thermostat. Nucleation rate is extracted from the simulations by direct observation of times of nucleation onset and by the method of Yasuoka and Matsumoto [J. Chem. Phys. 109, 8451 (1998)]. Compared to the direct observation, the nucleation rates obtained from the method of Yasuoka and Matsumoto are higher by a factor of 3.

  20. Heterogeneous ice nucleation: bridging stochastic and singular freezing behavior

    NASA Astrophysics Data System (ADS)

    Niedermeier, D.; Shaw, R. A.; Hartmann, S.; Wex, H.; Clauss, T.; Voigtländer, J.; Stratmann, F.

    2011-01-01

    Heterogeneous ice nucleation, a primary pathway for ice formation in the atmosphere, has been described alternately as being stochastic, in direct analogy with homogeneous nucleation, or singular, with ice nuclei initiating freezing at deterministic temperatures. We present an idealized model that bridges these stochastic and singular descriptions of heterogeneous ice nucleation. This "soccer ball" model treats statistically similar particles as being covered with surface sites (patches of finite area) characterized by different nucleation barriers, but with each surface site following the stochastic nature of ice embryo formation. The model provides a phenomenological explanation for seemingly contradictory experimental results obtained in our research groups. We suggest that ice nucleation is fundamentally a stochastic process but that for realistic atmospheric particle populations this process can be masked by the heterogeneity of surface properties. Full evaluation of the model will require experiments with well characterized ice nucleating particles and the ability to vary both temperature and waiting time for freezing.

  1. Bubble nucleation in an explosive micro-bubble actuator

    NASA Astrophysics Data System (ADS)

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

    2008-06-01

    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.

  2. Formation mechanisms of gold-zinc oxide hexagonal nanopyramids by heterogeneous nucleation using microwave synthesis.

    PubMed

    Herring, Natalie P; AbouZeid, Khaled; Mohamed, Mona B; Pinsk, John; El-Shall, M Samy

    2011-12-20

    This work reports the development of a fast and simple "one-pot" route for the synthesis of hybrid Au-ZnO hexagonal nanopyramids by sequential homogeneous-heterogeneous nucleation steps involving both Au and Zn ions using microwave irradiation (MWI). The rapid decomposition of zinc acetate by MWI in the presence of a mixture of oleic acid (OAc) and oleylamine (OAm) results in the formation of hexagonal ZnO nanopyramids. In the presence of Au ions, the initially formed Au nanocrystals act as heterogeneous nuclei for the nucleation and growth of the ZnO nanopyramids. The Au nanoparticles promote the heterogeneous nucleation of ZnO and the formation of the hexagonal base of the ZnO nanopyramids. Using preformed Au nanoparticles instead of Au ions results in a narrow size distribution of uniform Au-ZnO nanopyramids, each consisting of a gold nanoparticle embedded in the center of the hexagonal base of the ZnO nanopyramid. We study the factors that control the nucleation and growth of these complex structures, and provide new insights into the stepwise homogeneous-heterogeneous mechanism and the conventional heterogeneous nucleation on preformed Au nanoparticles. The formation of the hetero nanostructures Au-ZnO nanopyramids is strongly dependent on the molar ratios of OAc to OAm. The presence of OAc with a considerable dipole moment results in strong electrostatic interaction with the polar surfaces of the growing ZnO nanocrystals thus resulting in slowing the growth rate of the polar planes and allowing the formation of well-developed facets. In the absence of Au nanoparticles, a high concentration of zinc acetate and longer MWI times are required for the production of the nanopyramids. The gold nanoparticles could provide the metallic contact points within the hybrid nanopyramids which could facilitate the bottom-up assembly of Au-ZnO devices. Furthermore, the Au-ZnO nanopyramids could have improved performance in solar energy conversion and photocatalysis.

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

    PubMed

    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

  4. Epitaxial Nucleation on Rationally Designed Peptide Functionalized Interface

    DTIC Science & Technology

    2011-07-19

    in order to generate intricate biomimetic architectures , matrix mediated nucleation needs to be a multi- step process,23 This hypothesis is known as... tectonic ” nucleation and growth,24 and we apply our biomimetic interfacially confined peptide to explore this phenomenon at an addressable air...template functional hybrid materials. Figure 2. Tectonic hypothesis for nucleation and growth. 23 Figure 3. Objectives and progress. Progress in

  5. The influence of finite impurity size on heterogeneous nucleation

    NASA Technical Reports Server (NTRS)

    Weinberg, Michael C.

    1992-01-01

    The effects of the finite size of impurities upon the heterogeneous nucleation rate is examined. Simple arguments based upon probability theory are used to find the relative nucleation rate, p(j), on particles containing j nuclei. The expression for p(j) is used in turn to compute the overall nucleation rate and average number of nuclei on an impurity as a function of time.

  6. Fault and Fracture Intersections and Earthquake Nucleation

    NASA Astrophysics Data System (ADS)

    Brumbaugh, D. S.

    2008-05-01

    Laboratory experments and computer modeling studies have shown in some detail that when stresses are applied to prefractured materials the result is a complex change in the stress field in the vicinity of fracture intersections (Shengri, 2003; Gangopadhyay and Talwani, 2005). This can result in slip on the fractures and energy release simulating earthquake triggering. A search of the literature reveals a number of cases where earthquakes have nucleated on or near fracture intersections of two intersecting strike-slip faults or a strike-slip fault and a fracture linear. The acute angle between the two fractures/faults ranges from 18 degrees to a maximum of 90 degrees. The cases cited had epicentral locations near to or possibly on the intersection site. Magnitudes of events ranged from microearthquake size up to M7.9. A few cases exist where the initial event was not located at the intersection but triggered a second event at the intersection site (Elmore Ranch;Tango,Japan), or where an earthquake at the intersection triggered a second event elsewhere (Denali,Alaska). The recognition of the potential of stresses concentrated at intersection points of faults/fractures to nucleate potentially damaging earthquakes is important in seismic hazard studies.

  7. Thermodynamics of ice nucleation in liquid water.

    PubMed

    Wang, Xin; Wang, Shui; Xu, Qinzhi; Mi, Jianguo

    2015-01-29

    We present a density functional theory approach to investigate the thermodynamics of ice nucleation in supercooled water. Within the theoretical framework, the free-energy functional is constructed by the direct correlation function of oxygen-oxygen of the equilibrium water, and the function is derived from the reference interaction site model in consideration of the interactions of hydrogen-hydrogen, hydrogen-oxygen, and oxygen-oxygen. The equilibrium properties, including vapor-liquid and liquid-solid phase equilibria, local structure of hexagonal ice crystal, and interfacial structure and tension of water-ice are calculated in advance to examine the basis for the theory. The predicted phase equilibria and the water-ice surface tension are in good agreement with the experimental data. In particular, the critical nucleus radius and free-energy barrier during ice nucleation are predicted. The critical radius is similar to the simulation value, suggesting that the current theoretical approach is suitable in describing the thermodynamic properties of ice crystallization.

  8. Earthquake nucleation in weak subducted carbonates

    NASA Astrophysics Data System (ADS)

    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.

  9. Inhibition of bacterial ice nucleators by fish antifreeze glycoproteins.

    PubMed

    Parody-Morreale, A; Murphy, K P; Di Cera, E; Fall, R; DeVries, A L; Gill, S J

    1988-06-23

    Certain bacteria promote the formation of ice in super-cooled water by means of ice nucleators which contain a unique protein associated with the cell membrane. Ice nucleators in general are believed to act by mimicking the structure of an ice crystal surface, thus imposing an ice-like arrangement on the water molecules in contact with the nucleating surface and lowering the energy necessary for the initiation of ice formation. Quantitative investigation of the bacterial ice-nucleating process has recently been made possible by the discovery of certain bacteria that shed stable membrane vesicles with ice nucleating activity. The opposite effect, inhibition of ice formation, has been described for a group of glycoproteins found in different fish and insect species. This group of substances, termed antifreeze glycoproteins (AFGPs), promotes the supercooling of water with no appreciable effect on the equilibrium freezing point or melting temperature. Substantial evidence now indicates that AFGPs act by binding to a growing ice crystal and slowing crystal growth. As the ice-nucleating protein surface is believed to have a structure similar to an embryonic ice crystal, AFGPs might be predicted to interact directly with a bacterial ice-nucleating site. We report here that AFGPs from the antarctic fish Dissostichus mawsoni inhibit the ice-nucleating activity of membrane vesicles from the bacterium Erwinia herbicola. The inhibition effect shows saturation at high concentration of AFGP and conforms to a simple binding reaction between the AFGP and the nucleation centre.

  10. Physiological and ecological significance of biological ice nucleators.

    PubMed

    Lundheim, Rolv

    2002-07-29

    When a pure water sample is cooled it can remain in the liquid state at temperatures well below its melting point (0 degrees C). The initiation of the transition from the liquid state to ice is called nucleation. Substances that facilitate this transition so that it takes place at a relatively high sub-zero temperature are called ice nucleators. Many living organisms produce ice nucleators. In some cases, plausible reasons for their production have been suggested. In bacteria, they could induce frost damage to their hosts, giving the bacteria access to nutrients. In freeze-tolerant animals, it has been suggested that ice nucleators help to control the ice formation so that it is tolerable to the animal. Such ice nucleators can be called adaptive ice nucleators. There are, however, also examples of ice nucleators in living organisms where the adaptive value is difficult to understand. These ice nucleators might be structures with functions other than facilitating ice formation. These structures might be called incidental ice nucleators.

  11. Homogeneous nucleation rate measurements and the properties of critical clusters

    SciTech Connect

    Wyslouzil, Barbara E.; Strey, Reinhard; Wölk, Judith; Wilemski, Gerald; Kim, Yoojeong

    2009-10-06

    By combining a range of experimental techniques, quantitative nucleation rate measurements can now be made over {approx} 20 orders of magnitude. These rates can be used to directly test the predictions of nucleation theories or scaling laws. They can also provide direct information regarding the properties of the critical clusters - the first fragments of the new phase that are in unstable equilibrium with the supersaturated mother phase. This paper reviews recent progress in the field of vapor phase nucleation with a special focus on integrating the results from supersonic nozzle and nucleation pulse chamber studies.

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

    SciTech Connect

    Ling Zou; Barclay Joned

    2012-05-01

    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.

  13. Spontaneous nucleation of structural defects in inhomogeneous ion chains

    NASA Astrophysics Data System (ADS)

    De Chiara, Gabriele; del Campo, Adolfo; Morigi, Giovanna; Plenio, Martin B.; Retzker, Alex

    2010-11-01

    Structural defects in ion crystals can be formed during a linear quench of the transverse trapping frequency across the mechanical instability from a linear chain to a zigzag structure. The density of defects after the sweep can be conveniently described by the Kibble-Zurek mechanism (KZM). In particular, the number of kinks in the zigzag ordering can be derived from a time-dependent Ginzburg-Landau equation for the order parameter, here the zigzag transverse size, under the assumption that the ions are continuously laser cooled. In a linear Paul trap, the transition becomes inhomogeneous, since the charge density is larger in the center and more rarefied at the edges. During the linear quench, the mechanical instability is first crossed in the center of the chain, and a front, at which the mechanical instability is crossed during the quench, is identified that propagates along the chain from the center to the edges. If the velocity of this front is smaller than the sound velocity, the dynamics become adiabatic even in the thermodynamic limit and no defect is produced. Otherwise, the nucleation of kinks is reduced with respect to the case in which the charges are homogeneously distributed, leading to a new scaling of the density of kinks with the quenching rate. The analytical predictions are verified numerically by integrating the Langevin equations of motion of the ions, in the presence of a time-dependent transverse confinement. We argue that the non-equilibrium dynamics of an ion chain in a Paul trap constitutes an ideal scenario to test the inhomogeneous extension of the KZM, which lacks experimental evidence to date.

  14. Ice Nucleation properties of Air-Plane Soot Surrogates Using Vibrational Micro-spectroscopy: a preliminary study

    NASA Astrophysics Data System (ADS)

    Pirim, Claire; Ikhenazene, Raouf; Ortega, Ismael; Carpentier, Yvain; Focsa, Cristian; Chazallon, Bertrand

    2015-04-01

    Aircraft emissions have been studied extensively since the late 1960s and the interest was mainly driven by their direct and indirect effects on climate and the generation of contrails [1-4]. Emissions of solid-state particles (soots) from engine exhausts due to incomplete fuel combustion are considered to influence ice and liquid water cloud droplet activation [4]. The activity of these aerosols would originate from their ability to be important centers of ice-particle nucleation by promoting ice formation above water homogeneous freezing point. While some experiments focused on ice nucleation on soot particles did not yet reach definitive conclusions, soot are reported to be generally worse ice nuclei than mineral dust, nucleating at higher ice-supersaturations for deposition nucleation and at lower temperatures for immersion freezing. However, there are still numerous opened questions on the ice nucleation properties of soot particles [5], most likely due to the lack of information on the abundance, on the physico-chemical properties (structure and chemical compositions) of these aerosols, competition between different ice nucleation modes and dynamical factors that affect ice nucleation. Furthermore, the soot emitted from aircraft may be associated with soluble components like sulphate that can act as heterogeneous ice nuclei and initiate freezing at supersaturation of only 120-130% [6]. Therefore, more detailed studies of aerosol nucleation activity combined with throughout structural and compositional analyzes are needed in order to establish any association between the particles' hygroscopicity and their physico-chemical properties. In the present preliminary work, nucleation activity of air-plane soot particle surrogates is 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

  15. Atomic-Level Mechanisms of Nucleation of Pure Liquid Metals during Rapid Cooling.

    PubMed

    Han, Jiajia; Wang, Cuiping; Liu, Xingjun; Wang, Yi; Liu, Zi-Kui; Jiang, Jianzhong

    2015-12-21

    To obtain a material with the desired performance, the atomic-level mechanisms of nucleation from the liquid to solid phase must be understood. Although this transition has been investigated experimentally and theoretically, its atomic-level mechanisms remain debatable. In this work, the nucleation mechanisms of pure Fe under rapid cooling conditions are investigated. The local atomic packing stability and liquid-to-solid transition-energy pathways of Fe are studied using molecular dynamics simulations and first-principle calculations. The results are expressed as functions of cluster size in units of amorphous clusters (ACs) and body-centered cubic crystalline clusters (BCC-CCs). We found the prototypes of ACs in supercooled liquids and successfully divided these ACs to three categories according to their transition-energy pathways. The information obtained in this study could contribute to our current understanding of the crystallization of metallic melts during rapid cooling.

  16. A detailed study of ice nucleation by feldspar minerals

    NASA Astrophysics Data System (ADS)

    Whale, T. F.; Murray, B. J.; Wilson, T. W.; Carpenter, M. A.; Harrison, A.; Holden, M. A.; Vergara Temprado, J.; Morris, J.; O'Sullivan, D.

    2015-12-01

    Immersion mode heterogeneous ice nucleation plays a crucial role in controlling the composition of mixed phase clouds, which contain both supercooled liquid water and ice particles. The amount of ice in mixed phase clouds can affect cloud particle size, lifetime and extent and so affects radiative properties and precipitation. Feldspar minerals are probably the most important minerals for ice nucleation in mixed phase clouds because they nucleate ice more efficiently than other components of atmospheric mineral dust (Atkinson et al. 2013). The feldspar class of minerals is complex, containing numerous chemical compositions, several crystal polymorphs and wide variations in microscopic structure. Here we present the results of a study into ice nucleation by a wide range of different feldspars. We found that, in general, alkali feldspars nucleate ice more efficiently than plagioclase feldspars. However, we also found that particular alkali feldspars nucleate ice relatively inefficiently, suggesting that chemical composition is not the only important factor that dictates the ice nucleation efficiency of feldspar minerals. Ice nucleation by feldspar is described well by the singular model and is probably site specific in nature. The alkali feldspars that do not nucleate ice efficiently possess relatively homogenous structure on the micrometre scale suggesting that the important sites for nucleation are related to surface topography. Ice nucleation active site densities for the majority of tested alkali feldspars are similar to those found by Atkinson et al (2013), meaning that the validity of global aerosol modelling conducted in that study is not affected. Additionally, we have found that ice nucleation by feldspars is strongly influenced, both positively and negatively, by the solute content of droplets. Most other nucleants we have tested are unaffected by solutes. This provides insight into the mechanism of ice nucleation by feldspars and could be of importance

  17. Island nucleation and growth with anomalous diffusion.

    PubMed

    Amar, Jacques G; Semaan, Mikhael

    2016-06-01

    While most studies of submonolayer island nucleation and growth have been based on the assumption of ordinary monomer diffusion corresponding to diffusion exponent μ=1, in some cases either subdiffusive (μ<1) or superdiffusive (μ>1) behavior may occur. Here we present general expressions for the exponents describing the flux dependence of the island and monomer densities as a function of the critical island size i, substrate dimension d, island fractal dimension d_{f}, and diffusion exponent μ, where 0≤μ≤2. Our results are compared with kinetic Monte Carlo simulations for the case of irreversible island growth (i=1) with 0≤μ≤2 and d=2 as well as simulation results for d=1, 3, and 4, and excellent agreement is found.

  18. Microgravity nucleation and particle coagulation experiments support

    NASA Technical Reports Server (NTRS)

    Lilleleht, L. U.; Ferguson, F. T.

    1987-01-01

    A preliminary model for diffusion between concentric hemispheres was adapted to the cylindrical geometry of a microgravity nucleation apparatus, and extended to include the effects of radiation and conduction through the containment walls. Computer programs were developed to calculate first the temperature distribution and then the evolving concentration field using a finite difference formulation of the transient diffusion and radiation processes. The following estimations are made: (1) it takes approximately 35 minutes to establish a steady temperature field; (2) magnesium vapors released into the argon environment at the steady temperature distribution will reach a maximum supersaturation ratio of approximately 10,000 in the 20-second period at a distance of 15 cm from the source of vapors; and (3) approximately 750W electrical power will be required to maintain steady operating temperatures within the chamber.

  19. Nucleate boiling of water in twisted-tape swirled flow

    SciTech Connect

    Kudryavtsev, I.S.; Lekakh, B.M.; Paskar, B.L.; Fedorovich, Y.D. )

    1990-01-01

    This paper analyzes nucleate boiling in twisted-tape swirled water flow. The transverse flow velocity in the wall region, generated by the density gradient and acceleration, is estimated. It is concluded that the turbulence has a significant effect on the growth of vapor bubbles, decreasing the rate of nucleate boiling without simultaneously increasing the convective component to compensate for this effect.

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

    NASA Astrophysics Data System (ADS)

    Wang, J. Q.; Perepezko, J. H.

    2016-12-01

    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.

  1. Thermokinetics of heterogeneous droplet nucleation on conically textured substrates

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

    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.

  2. Observations on the nucleation of ice VII in compressed water

    NASA Astrophysics Data System (ADS)

    Stafford, Samuel J. P.; Chapman, David J.; Bland, Simon N.; Eakins, Daniel E.

    2017-01-01

    Water can freeze upon multiple shock compression, but the window material determines the pressure of the phase transition. Several plate impact experiments were conducted with liquid targets on a single-stage gas gun, diagnosed simultaneously using photonic doppler velocimetry (PDV) and high speed imaging through the water. The experiments investigated why silica windows instigate freezing above 2.5 GPa whilst sapphire windows do not until 7 GPa. We find that the nucleation of ice occurs on the surfaces of windows and can be affected by the surface coating suggesting the surface energy of fused silica, likely due to hydroxyl groups, encourages nucleation of ice VII crystallites. Aluminium coatings prevent nucleation and sapphire surfaces do not nucleate until approximately 6.5 GPa. This is believed to be the threshold pressure for the homogeneous nucleation of water.

  3. Principles and biotechnological applications of bacterial ice nucleation.

    PubMed

    Margaritis, A; Bassi, A S

    1991-01-01

    Certain aerobic, Gram-negative bacteria, including the epiphytic plant pathogen, Pseudomonas syringae, possess a membrane protein that enables them to nucleate crystallization in supercooled water. Currently, these ice-nucleating (IN) bacteria are being used in snow making and have potential applications in the production and texturing of frozen foods, and as a replacement of silver iodide in cloud seeding. A negative aspect of these IN bacteria is frost damage to plant surfaces. Thus, of the various types of biological ice nucleators, bacteria have been the subject of most research and also appear relevant to the anticipated practical uses. The intent of this review is to explain the identification and ecology of the ice-nucleating bacteria, as well as to discuss aspects of molecular biology related to ice nucleation and consider existing and potential applications of this unique phenomenon.

  4. Direct observation of amyloid nucleation under nanomechanical stretching

    NASA Astrophysics Data System (ADS)

    Varongchayakul, Nitinun

    Self-assembly of amyloid nanofiber is associated with functional and pathological processes such as in neurodegenerative diseases. Despite intensive studies, stochastic nature of the process has made it difficult to elucidate molecular mechanisms for the key amyloid nucleation. Here, we investigated the amyloid nucleation of silk-elastin-like peptide (SELP) using time-lapse lateral force microscopy (LFM). By repeated scanning a single line on a SELP-coated mica surface, we observed sudden stepwise height increases, corresponds to nucleation of an amyloid fiber. The lateral force profiles followed either a worm-like chain model or an exponential function, suggesting that the atomic force microscopy (AFM) tip stretches a single or multiple SELP molecules along the scanning direction, serves as the template for further self-assembly perpendicular to the scan direction. Such mechanically induced nucleation of amyloid fibrils allows positional and directional control of amyloid assembly in vitro , which we demonstrate by generating single nanofibers at predetermined nucleation sites.

  5. Softening by void nucleation and growth in tension and shear

    NASA Astrophysics Data System (ADS)

    Fleck, N. A.; Hutchinson, J. W.; Tvergaard, V.

    THE EFFECT of void nucleation and growth on overall stress-strain behavior is investigated for solids undergoing plastic straining under axisymmetric and shearing conditions. Contact between the void surface and the nucleating particle is taken into account and is found to be important under shear and under axisymmetric straining when the stress triaxiality is low. The notion of the macroscopic stress drop due to nucleation of a void is defined and computed, both for isolated voids and for voids in periodic arrays. The stress drop for an isolated void in an infinite matrix can be used to predict softening due to void nucleation when the void concentration is dilute. Interaction between voids in shear during nucleation is analysed numerically and softening effects are calculated along with large strain aspects of void deformation during subsequent growth.

  6. Nucleation Rate Analysis of Methane Hydrate from Molecular Dynamics Simulations

    DOE PAGES

    Yuhara, Daisuke; Barnes, Brian C.; Suh, Donguk; ...

    2015-01-06

    Clathrate hydrates are solid crystalline structures most commonly formed from solutions that have nucleated to form a mixed solid composed of water and gas. Understanding the mechanism of clathrate hydrate nucleation is essential to grasp the fundamental chemistry of these complex structures and their applications. Molecular dynamics (MD) simulation is an ideal method to study nucleation at the molecular level because the size of the critical nucleus and formation rate occur on the nano scale. Moreover, various analysis methods for nucleation have been developed through MD to analyze nucleation. In particular, the mean first-passage time (MFPT) and survival probability (SP)more » methods have proven to be effective in procuring the nucleation rate and critical nucleus size for monatomic systems. This study assesses the MFPT and SP methods, previously used for monatomic systems, when applied to analyzing clathrate hydrate nucleation. Because clathrate hydrate nucleation is relatively difficult to observe in MD simulations (due to its high free energy barrier), these methods have yet to be applied to clathrate hydrate systems. In this study, we have analyzed the nucleation rate and critical nucleus size of methane hydrate using MFPT and SP methods from data generated by MD simulations at 255 K and 50 MPa. MFPT was modified for clathrate hydrate from the original version by adding the maximum likelihood estimate and growth effect term. The nucleation rates were calculated by MFPT and SP methods and are within 5%; the critical nucleus size estimated by the MFPT method was 50% higher, than values obtained through other more rigorous but computationally expensive estimates. These methods can also be extended to the analysis of other clathrate hydrates.« less

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

    NASA Astrophysics Data System (ADS)

    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.

  8. Do protein crystals nucleate within dense liquid clusters?

    SciTech Connect

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

    2015-06-27

    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{sup −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

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

    NASA Astrophysics Data System (ADS)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu

    2016-12-01

    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), pB 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 pB 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.

  10. Temperature dependence of heterogeneous nucleation: Extension of the Fletcher model

    NASA Astrophysics Data System (ADS)

    McGraw, Robert; Winkler, Paul; Wagner, Paul

    2015-04-01

    Recently there have been several cases reported where the critical saturation ratio for onset of heterogeneous nucleation increases with nucleation temperature (positive slope dependence). This behavior contrasts with the behavior observed in homogeneous nucleation, where a decreasing critical saturation ratio with increasing nucleation temperature (negative slope dependence) seems universal. For this reason the positive slope dependence is referred to as anomalous. Negative slope dependence is found in heterogeneous nucleation as well, but because so few temperature-dependent measurements have been reported, it is not presently clear which slope condition (positive or negative) will become more frequent. Especially interesting is the case of water vapor condensation on silver nanoparticles [Kupc et al., AS&T 47: i-iv, 2013] where the critical saturation ratio for heterogeneous nucleation onset passes through a maximum, at about 278K, with higher (lower) temperatures showing the usual (anomalous) temperature dependence. In the present study we develop an extension of Fletcher's classical, capillarity-based, model of heterogeneous nucleation that explicitly resolves the roles of surface energy and surface entropy in determining temperature dependence. Application of the second nucleation theorem, which relates temperature dependence of nucleation rate to cluster energy, yields both necessary and sufficient conditions for anomalous temperature behavior in the extended Fletcher model. In particular it is found that an increasing contact angle with temperature is a necessary, but not sufficient, condition for anomalous temperature dependence to occur. Methods for inferring microscopic contact angle and its temperature dependence from heterogeneous nucleation probability measurements are discussed in light of the new theory.

  11. Nucleation Rate Analysis of Methane Hydrate from Molecular Dynamics Simulations

    SciTech Connect

    Yuhara, Daisuke; Barnes, Brian C.; Suh, Donguk; Knott, Brandon C.; Beckham, Gregg T.; Yasuoka, Kenji; Wu, David T.; Amadeu K. Sum

    2015-01-06

    Clathrate hydrates are solid crystalline structures most commonly formed from solutions that have nucleated to form a mixed solid composed of water and gas. Understanding the mechanism of clathrate hydrate nucleation is essential to grasp the fundamental chemistry of these complex structures and their applications. Molecular dynamics (MD) simulation is an ideal method to study nucleation at the molecular level because the size of the critical nucleus and formation rate occur on the nano scale. Moreover, various analysis methods for nucleation have been developed through MD to analyze nucleation. In particular, the mean first-passage time (MFPT) and survival probability (SP) methods have proven to be effective in procuring the nucleation rate and critical nucleus size for monatomic systems. This study assesses the MFPT and SP methods, previously used for monatomic systems, when applied to analyzing clathrate hydrate nucleation. Because clathrate hydrate nucleation is relatively difficult to observe in MD simulations (due to its high free energy barrier), these methods have yet to be applied to clathrate hydrate systems. In this study, we have analyzed the nucleation rate and critical nucleus size of methane hydrate using MFPT and SP methods from data generated by MD simulations at 255 K and 50 MPa. MFPT was modified for clathrate hydrate from the original version by adding the maximum likelihood estimate and growth effect term. The nucleation rates were calculated by MFPT and SP methods and are within 5%; the critical nucleus size estimated by the MFPT method was 50% higher, than values obtained through other more rigorous but computationally expensive estimates. These methods can also be extended to the analysis of other clathrate hydrates.

  12. Probing methane hydrate nucleation through the forward flux sampling method.

    PubMed

    Bi, Yuanfei; Li, Tianshu

    2014-11-26

    Understanding the nucleation of hydrate is the key to developing effective strategies for controlling methane hydrate formation. Here we present a computational study of methane hydrate nucleation, by combining the forward flux sampling (FFS) method and the coarse-grained water model mW. To facilitate the application of FFS in studying the formation of methane hydrate, we developed an effective order parameter λ on the basis of the topological analysis of the tetrahedral network. The order parameter capitalizes the signature of hydrate structure, i.e., polyhedral cages, and is capable of efficiently distinguishing hydrate from ice and liquid water while allowing the formation of different hydrate phases, i.e., sI, sII, and amorphous. Integration of the order parameter λ with FFS allows explicitly computing hydrate nucleation rates and obtaining an ensemble of nucleation trajectories under conditions where spontaneous hydrate nucleation becomes too slow to occur in direct simulation. The convergence of the obtained hydrate nucleation rate was found to depend crucially on the convergence of the spatial distribution for the spontaneously formed hydrate seeds obtained from the initial sampling of FFS. The validity of the approach is also verified by the agreement between the calculated nucleation rate and that inferred from the direct simulation. Analyzing the obtained large ensemble of hydrate nucleation trajectories, we show hydrate formation at 220 K and 500 bar is initiated by the nucleation events occurring in the vicinity of water-methane interface, and facilitated by a gradual transition from amorphous to crystalline structure. The latter provides the direct support to the proposed two-step nucleation mechanism of methane hydrate.

  13. Nucleation rate analysis of methane hydrate from molecular dynamics simulations.

    PubMed

    Yuhara, Daisuke; Barnes, Brian C; Suh, Donguk; Knott, Brandon C; Beckham, Gregg T; Yasuoka, Kenji; Wu, David T; Sum, Amadeu K

    2015-01-01

    Clathrate hydrates are solid crystalline structures most commonly formed from solutions that have nucleated to form a mixed solid composed of water and gas. Understanding the mechanism of clathrate hydrate nucleation is essential to grasp the fundamental chemistry of these complex structures and their applications. Molecular dynamics (MD) simulation is an ideal method to study nucleation at the molecular level because the size of the critical nucleus and formation rate occur on the nano scale. Various analysis methods for nucleation have been developed through MD to analyze nucleation. In particular, the mean first-passage time (MFPT) and survival probability (SP) methods have proven to be effective in procuring the nucleation rate and critical nucleus size for monatomic systems. This study assesses the MFPT and SP methods, previously used for monatomic systems, when applied to analyzing clathrate hydrate nucleation. Because clathrate hydrate nucleation is relatively difficult to observe in MD simulations (due to its high free energy barrier), these methods have yet to be applied to clathrate hydrate systems. In this study, we have analyzed the nucleation rate and critical nucleus size of methane hydrate using MFPT and SP methods from data generated by MD simulations at 255 K and 50 MPa. MFPT was modified for clathrate hydrate from the original version by adding the maximum likelihood estimate and growth effect term. The nucleation rates calculated by MFPT and SP methods are within 5%, and the critical nucleus size estimated by the MFPT method was 50% higher, than values obtained through other more rigorous but computationally expensive estimates. These methods can also be extended to the analysis of other clathrate hydrates.

  14. Identification of Ice Nucleation Active Sites on Silicate Dust Particles

    NASA Astrophysics Data System (ADS)

    Zolles, Tobias; Burkart, Julia; Häusler, Thomas; Pummer, Bernhard; Hitzenberger, Regina; Grothe, Hinrich

    2015-04-01

    Mineral dusts originating from Earth's crust are known to be important atmospheric ice nuclei. In agreement with earlier studies, feldspar was found as the most active of the tested natural mineral dusts [1-3]. Nevertheless, among those structures K-feldspar showed by far the highest ice nucleation activity. In this study, the reasons for its activity and the difference in the activity of the different feldspars were investigated in closer details. Conclusions are drawn from scanning electron microscopy, X-ray powder diffraction, infrared spectroscopy, and oil-immersion freezing experiments. We give a potential explanation of the increased ice nucleation activity of K-feldspar. The ice nucleating sites are very much dependent on the alkali ion present by altering the water structure and the feldspar surface. The higher activity of K-feldspar can be attributed to the presence of potassium ions on the surface and surface bilayer. The alkali-ions have different hydration shells and thus an influence on the ice nucleation activity of feldspar. Chaotropic behavior of Calcium and Sodium ions are lowering the ice nucleation potential of the other feldspars, while kosmotropic Potassium has a neutral or even positive effect. Furthermore we investigated the influence of milling onto the ice nucleation of quartz particles. The ice nucleation activity can be increased by mechanical milling, by introducing more molecular, nucleation active defects to the particle surface. This effect is larger than expected by plane surface increase. [1] Atkinson et al. The Importance of Feldspar for Ice Nucleation by Mineral Dust in Mixed-Phase Clouds. Nature 2013, 498, 355-358. [2] Yakobi-Hancock et al.. Feldspar Minerals as Efficient Deposition Ice Nuclei. Atmos. Chem. Phys. 2013, 13, 11175-11185. [3] Zolles et al. Identification of Ice Nucleation Active Sites on Feldspar Dust Particles. J. Phys. Chem. A 2015 accepted.

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

    EPA Science Inventory

    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...

  16. The effects of electric field on ice nucleation may be masked by the inherent stochastic nature of nucleation.

    PubMed

    Wilson, P W; Osterday, K; Haymet, A D J

    2009-01-01

    We use an automatic lag time apparatus to show that an electric field of 5*10(4) V/m-1 appears to have no effect on the nucleation of supercooled water. Previously reported effects at similar magnitude fields are most likely due to the inherent stochastic nature of liquid to solid nucleation.

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

    PubMed

    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

  18. Reconciling disparate views of template-directed nucleation through measurement of calcite nucleation kinetics and binding energies

    PubMed Central

    Hamm, Laura M.; Giuffre, Anthony J.; Han, Nizhou; Tao, Jinhui; Wang, Debin; De Yoreo, James J.; Dove, Patricia M.

    2014-01-01

    The physical basis for how macromolecules regulate the onset of mineral formation in calcifying tissues is not well established. A popular conceptual model assumes the organic matrix provides a stereochemical match during cooperative organization of solute ions. In contrast, another uses simple binding assays to identify good promoters of nucleation. Here, we reconcile these two views and provide a mechanistic explanation for template-directed nucleation by correlating heterogeneous nucleation barriers with crystal–substrate-binding free energies. We first measure the kinetics of calcite nucleation onto model substrates that present different functional group chemistries (carboxyl, thiol, phosphate, and hydroxyl) and conformations (C11 and C16 chain lengths). We find rates are substrate-specific and obey predictions of classical nucleation theory at supersaturations that extend above the solubility of amorphous calcium carbonate. Analysis of the kinetic data shows the thermodynamic barrier to nucleation is reduced by minimizing the interfacial free energy of the system, γ. We then use dynamic force spectroscopy to independently measure calcite–substrate-binding free energies, ΔGb. Moreover, we show that within the classical theory of nucleation, γ and ΔGb should be linearly related. The results bear out this prediction and demonstrate that low-energy barriers to nucleation correlate with strong crystal–substrate binding. This relationship is general to all functional group chemistries and conformations. These findings provide a physical model that reconciles the long-standing concept of templated nucleation through stereochemical matching with the conventional wisdom that good binders are good nucleators. The alternative perspectives become internally consistent when viewed through the lens of crystal–substrate binding. PMID:24434555

  19. Novel Electric Nucleation Technique for Growing Large Single Crystal in Space

    NASA Technical Reports Server (NTRS)

    Abdeldayem, Hossin; Frazier, Donald O.

    1999-01-01

    We present, herein, an electrical model for growing crystals without a seed which might not be free of defects and thereby still hinder the growth of a perfect crystal in space. The system is designed to confine nucleation to a single site automatically in an under saturated solution to avoid multiple nucleation. The technique is based on the effect of electrostriction, which is the tendency of a material to become more compressed in the presence of an electric field. The system is designed to create an electrical potential well between two hyperboloid electrodes with applied voltage at low frequency. The induced potential well between the electrodes oscillates at low frequency and attracts the solute and condenses it into the region of maximum field intensity. The alternating voltage prevents molecules with intrinsic charge from being attracted to the electrodes. The continuous presence of the electric field during the duration of the experiment, provides a continuous migration of the molecules toward the trapping site. This will eliminate the creation of a depletion region around the nucleation center and will enhance the crystal growth rate. Aside from the above mentioned advantages, the system is compact, safe to operate, and inexpensive to build.

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

    SciTech Connect

    Li, Rong; Wu, Yongquan Xiao, Junjiang

    2014-01-21

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  2. Cross-Linking Studies of Lysozyme Nucleation

    NASA Technical Reports Server (NTRS)

    Forsythe, Elizabeth; Pusey, Marc

    2000-01-01

    Tetragonal chicken egg white crystals consist of 4(sub 3) helices running in alternating directions, the helix rows having a two fold symmetry with each other. The unit cell consists of one complete tetrameric turn from each of two adjacent helices (an octamer). PBC analysis indicates that the helix intermolecular bonds are the strongest in the crystal, therefore likely formed first. AFM analysis of the (110) surface shows only complete helices, no half steps or bisected helices being found, while AFM line scans to measure the growth step increments show that they are multiples of the 4(sub 3) helix tetramer dimensions. This supports our thesis that the growth units are in fact multiples of the four molecule 4(sub 3) helix unit, the "average" growth unit size for the (110) face being an octamer (two turns about the helix) and the (101) growth unit averaging about the size of a hexamer. In an effort to better understand the species involved in the crystal nucleation and growth process, we have initiated an experimental program to study the species formed in solution compared to what is found in the crystal through covalent cross-linking studies. These experiments use the heterobifunctional cross-linking agent aminoethyl-4-azidonitroanaline (AEANA). An aliphatic amine at one end is covalently attached to the protein by a carbodiimide-mediated reaction, and a photo reactive group at the other can be used to initiate crosslinking. Modifications to the parent structure can be used to alter the distance between the two reactive groups and thus the cross-linking agents "reach". In practice, the cross-linking agent is first coupled to the asp101 side chain through the amine group. Asp101 lies within the active site cleft, and previous work with fluorescent probes had shown that derivatives at this site still crystallize in the tetragonal space group. This was also found to be the case with the AEANA derivative, which gave red tetragonal crystals. The protein now has a

  3. Statistical theory of nucleation in the presence of uncharacterized impurities

    NASA Astrophysics Data System (ADS)

    Sear, Richard P.

    2004-08-01

    First order phase transitions proceed via nucleation. The rate of nucleation varies exponentially with the free-energy barrier to nucleation, and so is highly sensitive to variations in this barrier. In practice, very few systems are absolutely pure, there are typically some impurities present which are rather poorly characterized. These interact with the nucleus, causing the barrier to vary, and so must be taken into account. Here the impurity-nucleus interactions are modelled by random variables. The rate then has the same form as the partition function of Derrida’s random energy model, and as in this model there is a regime in which the behavior is non-self-averaging. Non-self-averaging nucleation is nucleation with a rate that varies significantly from one realization of the random variables to another. In experiment this corresponds to variation in the nucleation rate from one sample to another. General analytic expressions are obtained for the crossover from a self-averaging to a non-self-averaging rate of nucleation.

  4. Grand canonical steady-state simulation of nucleation

    NASA Astrophysics Data System (ADS)

    Horsch, Martin; Vrabec, Jadran

    2009-11-01

    Grand canonical molecular dynamics (GCMD) is applied to the nucleation process in a metastable phase near the spinodal, where nucleation occurs almost instantaneously and is limited to a very short time interval. With a variant of Maxwell's demon, proposed by McDonald [Am. J. Phys. 31, 31 (1963)], all nuclei exceeding a specified size are removed. In such a steady-state simulation, the nucleation process is sampled over an arbitrary time span and all properties of the metastable state, including the nucleation rate, can be obtained with an increased precision. As an example, a series of GCMD simulations with McDonald's demon is carried out for homogeneous vapor to liquid nucleation of the truncated-shifted Lennard-Jones (tsLJ) fluid, covering the entire relevant temperature range. The results are in agreement with direct nonequilibrium MD simulation in the canonical ensemble. It is confirmed for supersaturated vapors of the tsLJ fluid that the classical nucleation theory underpredicts the nucleation rate by two orders of magnitude.

  5. Direct observation of amyloid nucleation under nanomechanical stretching.

    PubMed

    Varongchayakul, Nitinun; Johnson, Sara; Quabili, Trina; Cappello, Joseph; Ghandehari, Hamidreza; Solares, Santiago De Jesus; Hwang, Wonmuk; Seog, Joonil

    2013-09-24

    Self-assembly of amyloid nanofiber is associated with both functional biological and pathological processes such as those in neurodegenerative diseases. Despite intensive studies, the stochastic nature of the process has made it difficult to elucidate a molecular mechanism for the key amyloid nucleation event. Here we investigated nucleation of the silk-elastin-like peptide (SELP) amyloid using time-lapse lateral force microscopy (LFM). By repeated scanning of a single line on a SELP-coated mica surface, we observed a sudden stepwise height increase. This corresponds to nucleation of an amyloid fiber, which subsequently grew perpendicular to the scanning direction. The lateral force profiles followed either a worm-like chain model or an exponential function, suggesting that the atomic force microscopy (AFM) tip stretches a single or multiple SELP molecules along the scanning direction. The probability of nucleation correlated with the maximum stretching force and extension, implying that stretching of SELP molecules is a key molecular event for amyloid nucleation. The mechanically induced nucleation allows for positional and directional control of amyloid assembly in vitro, which we demonstrate by generating single nanofibers at predetermined nucleation sites.

  6. Nucleation at the Contact Line Observed on Nanotextured Surfaces

    NASA Astrophysics Data System (ADS)

    Kostinski, A. B.; Gurganus, C.; Charnawskas, J. C.; Shaw, R. A.

    2015-12-01

    Surface nucleation, and contact nucleation in particular, are important for many physical processes, including pharmaceutical drug synthesis, metallurgy, and heterogeneous ice nucleation. It has been conjectured that roughness plays a role in surface nucleation, the tendency for freezing to begin preferentially at the liquid-gas interface. Using high speed imaging, we sought evidence for freezing at the contact line on catalyst substrates with imposed characteristic length scales (texture). It is found that nano-scale texture causes a shift in the nucleation of ice in super-cooled water to the three-phase contact line, while micro-scale texture does not. The reduction in the Gibbs barrier for nucleation at the droplet triple line suggests that a line tension, inversely proportional to the surface feature length scale, may be the relevant physical mechanism. A survey of line tension values in literature supports this hypothesis. This work suggests that the physical morphology of a particle, and not just its chemical composition, is important for characterizing a nucleation catalyst.

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

    NASA Astrophysics Data System (ADS)

    Wilson, Theodore W.; Ladino, Luis A.; Alpert, Peter A.; Breckels, Mark N.; Brooks, Ian M.; Browse, Jo; Burrows, Susannah M.; Carslaw, Kenneth S.; Huffman, J. Alex; Judd, Christopher; Kilthau, Wendy P.; Mason, Ryan H.; McFiggans, Gordon; Miller, Lisa A.; Nájera, Juan J.; Polishchuk, Elena; Rae, Stuart; Schiller, Corinne L.; Si, Meng; Temprado, Jesús Vergara; Whale, Thomas F.; Wong, Jenny P. S.; Wurl, Oliver; Yakobi-Hancock, Jacqueline D.; Abbatt, Jonathan P. D.; Aller, Josephine Y.; Bertram, Allan K.; Knopf, Daniel A.; Murray, Benjamin J.

    2015-09-01

    The amount of ice present in clouds can affect cloud lifetime, precipitation and radiative properties. The formation of ice in clouds is facilitated by the presence of airborne ice-nucleating particles. Sea spray is one of the major global sources of atmospheric particles, but it is unclear to what extent these particles are capable of nucleating ice. Sea-spray aerosol contains large amounts of organic material that is ejected into the atmosphere during bubble bursting at the organically enriched sea-air interface or sea surface microlayer. Here we show that organic material in the sea surface microlayer nucleates ice under conditions relevant for mixed-phase cloud and high-altitude ice cloud formation. The ice-nucleating material is probably biogenic and less than approximately 0.2 micrometres in size. We find that exudates separated from cells of the marine diatom Thalassiosira pseudonana nucleate ice, and propose that organic material associated with phytoplankton cell exudates is a likely candidate for the observed ice-nucleating ability of the microlayer samples. Global model simulations of marine organic aerosol, in combination with our measurements, suggest that marine organic material may be an important source of ice-nucleating particles in remote marine environments such as the Southern Ocean, North Pacific Ocean and North Atlantic Ocean.

  8. Do protein crystals nucleate within dense liquid clusters?

    PubMed

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

    2015-07-01

    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 lysozyme and glucose isomerase solutions are locations for crystal nucleation.

  9. Direct observation of ice nucleation events on individual atmospheric particles

    SciTech Connect

    Wang, Bingbing; Knopf, Daniel A.; China, Swarup; Arey, Bruce W.; Harder, Tristan H.; Gilles, Mary K.; Laskin, Alexander

    2016-01-01

    Heterogeneous ice nucleation is a physical chemistry process of critical relevance to a range of topics in the fundamental and the applied sciences and technologies. Heterogeneous ice nucleation remains insufficiently understood. This is in part due to the lack of experimental methods capable of in situ visualization of ice formation over nucleating substrates with microscopically characterized morphology and composition. We present development, validation and first applications of a novel electron microscopy platform allowing observation of individual ice nucleation events at temperature and relative humidity (RH) relevant for ice formation in a broad range of environmental and applied technology processes. The approach utilizes a custom-built ice nucleation cell, interfaced with an Environmental Scanning Electron Microscope (IN-ESEM system). The IN-ESEM system allows dynamic observations of individual ice formation events over particles of atmospheric relevance and determination of the ice nucleation mechanisms. Additional IN-ESEM experiments allow examination of the location of ice formation on the surface of individual particles and micro-spectroscopy analysis of the ice nucleating particles (INPs). This includes elemental composition detected by the energy dispersed analysis of X-rays (EDX), speciation of the organic content in particles using scanning transmission X-ray microscopy with near edge X-ray absorption fine structure spectroscopy (STXM/NEXAFS), and Helium ion microscopy (HeIM). The capabilities of the IN-ESEM experimental platform are demonstrated first on laboratory standards and then by chemical imaging of INPs using a complex sample of ambient particles.

  10. Controlled ice nucleation in cryopreservation--a review.

    PubMed

    Morris, G John; Acton, Elizabeth

    2013-04-01

    We review here for the first time, the literature on control of ice nucleation in cryopreservation. Water and aqueous solutions have a tendency to undercool before ice nucleation occurs. Control of ice nucleation has been recognised as a critical step in the cryopreservation of embryos and oocytes but is largely ignored for other cell types. We review the processes of ice nucleation and crystal growth in the solution around cells and tissues during cryopreservation with an emphasis on non IVF applications. The extent of undercooling that is encountered during the cooling of various cryocontainers is defined and the methods that have been employed to control the nucleation of ice are examined. The effects of controlled ice nucleation on the structure of the sample and the outcome of cryopreservation of a range of cell types and tissues are presented and the physical events which define the cellular response are discussed. Nucleation of ice is the most significant uncontrolled variable in conventional cryopreservation leading to sample to sample variation in cell recovery, viability and function and should be controlled to allow standardisation of cryopreservation protocols for cells for biobanking, cell based assays or clinical application. This intervention allows a way of increasing viability of cells and reducing variability between samples and should be included as standard operating procedures are developed.

  11. Heterogeneous ice nucleation of mineral dust particles exposed to ozone

    NASA Astrophysics Data System (ADS)

    Kanji, Zamin A.; Welti, André; Chou, Cédric; Stetzer, Olaf; Lohmann, Ulrike

    2013-05-01

    Deposition and immersion mode ice nucleation studies of kaolinite (Ka) and Arizona Test Dust (ATD) particles exposed to ozone at 430 ppbv, 1.4 and 4.3 ppmv for approximately 2 hours in a stainless steel aerosol tank are presented. The polydisperse particles used have a mode mobility diameter of 800 nm for Ka and 400 nm for ATD. The portable ice nucleation chamber (PINC) and immersion chamber (IMCA-ZINC) were used to study deposition and immersion mode ice nucleation respectively. Both instruments sampled through a particle impactor with a diameter cut-off size of 1 μm. Preliminary results indicate that ice nucleation can be enhanced or inhibited depending on ozone concentration used for the ageing process with higher concentrations suppressing ice nucleation in both immersion and deposition modes. Additionally, Ka and ATD respond differently to the ageing process and to the different modes of ice nucleation. Ozone surface coverage and initial uptake coefficients are presented for the low exposure studies to explain the ice nucleation behavior observed. Ice Active Surface Site Densities (IASSD) are presented as a means of comparison and parameterization of the data to predict potential atmospheric ice nuclei (IN) concentrations.

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

    PubMed

    Wilson, Theodore W; Ladino, Luis A; Alpert, Peter A; Breckels, Mark N; Brooks, Ian M; Browse, Jo; Burrows, Susannah M; Carslaw, Kenneth S; Huffman, J Alex; Judd, Christopher; Kilthau, Wendy P; Mason, Ryan H; McFiggans, Gordon; Miller, Lisa A; Nájera, Juan J; Polishchuk, Elena; Rae, Stuart; Schiller, Corinne L; Si, Meng; Temprado, Jesús Vergara; Whale, Thomas F; Wong, Jenny P S; Wurl, Oliver; Yakobi-Hancock, Jacqueline D; Abbatt, Jonathan P D; Aller, Josephine Y; Bertram, Allan K; Knopf, Daniel A; Murray, Benjamin J

    2015-09-10

    The amount of ice present in clouds can affect cloud lifetime, precipitation and radiative properties. The formation of ice in clouds is facilitated by the presence of airborne ice-nucleating particles. Sea spray is one of the major global sources of atmospheric particles, but it is unclear to what extent these particles are capable of nucleating ice. Sea-spray aerosol contains large amounts of organic material that is ejected into the atmosphere during bubble bursting at the organically enriched sea-air interface or sea surface microlayer. Here we show that organic material in the sea surface microlayer nucleates ice under conditions relevant for mixed-phase cloud and high-altitude ice cloud formation. The ice-nucleating material is probably biogenic and less than approximately 0.2 micrometres in size. We find that exudates separated from cells of the marine diatom Thalassiosira pseudonana nucleate ice, and propose that organic material associated with phytoplankton cell exudates is a likely candidate for the observed ice-nucleating ability of the microlayer samples. Global model simulations of marine organic aerosol, in combination with our measurements, suggest that marine organic material may be an important source of ice-nucleating particles in remote marine environments such as the Southern Ocean, North Pacific Ocean and North Atlantic Ocean.

  13. Influence of Grain Boundary Properties and Orientation on Void Nucleation

    SciTech Connect

    Fensin, Saryu Jindal

    2016-03-01

    For ductile metals, dynamic fracture during shock loading is thought to occur through void nucleation, growth, and then coalescence that leads to material failure. Particularly for high purity metals, it has been observed by numerous investigators that, under incipient spall conditions, voids appear to heterogeneously nucleate at some grain boundaries, but not others. Several factors can affect the void nucleation stress at a grain boundary, such as grain boundary structure, orientation with respect to the loading direction, energy and excess volume, in addition to its interactions with dislocations. In this work, we focus on the influence of loading direction with respect to the grain boundary plane and grain boundary properties such as energy and excess volume on the stress required for void nucleation of a grain boundary, in copper from moleculardynamics simulations. Flyer plate simulations were carried out for four boundary types with different energies and excess volumes. These boundaries were chosen as model systems to represent various boundaries observed in “real” materials. Simulations indicate that there is no direct correlation between the void nucleation stress at a boundary and either its energy and excess volume. This result suggests that average properties of grain boundaries alone are not sufficient indicators of the spall strength of a boundary and perhaps local boundary properties need to be taken into account in order to predict its susceptibility to void nucleation for broad ranges of materials. We also present both experimental and simulation results corresponding to the affect of orientation on void nucleation.

  14. Heterogeneous Nucleation of Protein Crystals on Fluorinated Layered Silicate

    PubMed Central

    Ino, Keita; Udagawa, Itsumi; Iwabata, Kazuki; Takakusagi, Yoichi; Kubota, Munehiro; Kurosaka, Keiichi; Arai, Kazuhito; Seki, Yasutaka; Nogawa, Masaya; Tsunoda, Tatsuo; Mizukami, Fujio; Taguchi, Hayao; Sakaguchi, Kengo

    2011-01-01

    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. PMID:21818343

  15. SUCCESS Evidence for Cirrus Cloud Ice Nucleation Mechanisms

    NASA Technical Reports Server (NTRS)

    Jensen, Eric; Gore, Warren J. Y. (Technical Monitor)

    1997-01-01

    During the SUCCESS mission, several measurements were made which should improve our understanding of ice nucleation processes in cirrus clouds. Temperature and water vapor concentration were made with a variety of instruments on the NASA DC-8. These observations should provide accurate upper tropospheric humidities. In particular, we will evaluate what humidities are required for ice nucleation. Preliminary results suggest that substantial supersaturations frequently exist in the upper troposphere. The leading-edge region of wave-clouds (where ice nucleation occurs) was sampled extensively at temperatures near -40 and -60C. These observations should give precise information about conditions required for ice nucleation. In addition, we will relate the observed aerosol composition and size distributions to the ice formation observed to evaluate the role of soot or mineral particles on ice nucleation. As an alternative technique for determining what particles act as ice nuclei, numerous samples of aerosols inside ice crystals were taken. In some cases, large numbers of aerosols were detected in each crystal, indicating that efficient scavenging occurred. Analysis of aerosols in ice crystals when only one particle per crystal was detected should help with the ice nucleation issue. Direct measurements of the ice nucleating activity of ambient aerosols drawn into airborne cloud chambers were also made. Finally, measurements of aerosols and ice crystals in contrails should indicate whether aircraft exhaust soot particles are effective ice nuclei.

  16. Structure of supersaturated solution and crystal nucleation induced by diffusion

    NASA Astrophysics Data System (ADS)

    Ooshima, Hiroshi; Igarashi, Koichi; Iwasa, Hideo; Yamamoto, Ren

    2013-06-01

    The effect of a seed crystal on nucleation of L-alanine from a quiescent supersaturated solution was investigated. When a seed crystal was not used, nucleation did not occur at least for 5 h. When a seed crystal was introduced into the supersaturated solution with careful attention to avoid convection of the solution, fine crystals appeared at the place far from the seed crystal. At that time, there was no convection at the place that fine crystals appeared. Namely, there was no possibility that those fine crystals came from the surface of seed crystal. We supposed that nucleation was induced by directional diffusion of solute molecules caused by growth of the seed crystal. In order to prove this hypothesis, we designed an experiment using an apparatus composed of two compartments divided by a dialysis membrane that L-alanine molecules could freely permeate. Two supersaturated solutions having a supersaturation ratio of 1.2 and a smaller ratio were placed in the two compartments in the absence of seed crystals. This apparatus allowed the directional diffusion of solute molecules between two solutions. Nucleation occurred within 30 min. The frequency of nucleation among 7-times repeated experiments was in proportion to the difference of supersaturation ratio between the two solutions. This result poses a new mechanism of the secondary nucleation that the directional diffusion caused by growth of existing crystals induces nucleation.

  17. Nucleation in plasmas at high and low pressures

    SciTech Connect

    Kumar, A.S.; Garscadden, A.

    1994-12-31

    The nucleation processes occurring under both high-pressure and low-pressure plasma conditions have been studied and the significance of different processes for particle formation will be presented in detail. Particle nucleation and growth phenomena in plasmas are extremely important to a wide range of processes occurring under laboratory, atmospheric and astrophysical conditions. These include plasma-enhanced processing, cluster-growth mechanisms, synthesis of powders in plasma reactors, aerosol and cloud formation in planetary atmospheres, and formation of interstellar dust grains. Under most circumstances, particle formation occurs as a homogeneous nucleation process. However, at lower pressures in plasma or charged particle environments, the ions can act as condensation nuclei, and ion-induced nucleation becomes highly favored. The nucleation processes occurring under different plasma and laser vaporization conditions may be classified as in Table 1. Laser and arc vaporization processes result in high-pressure vapor sources depending mostly on the energy density striking the surface. Particle nucleation under these conditions occurs from the adiabatic expansion and cooling of the ejected vapor. The very high saturation ratios for materials like carbon and silicon under such conditions makes homogeneous nucleation the dominant mechanism for cluster and particle formations.

  18. Relative importance of perch and facilitative effects on nucleation in tropical woodland in Malawi

    NASA Astrophysics Data System (ADS)

    Fujita, Tomohiro

    2016-01-01

    Individual trees in open vegetation such as woodlands can act as "nuclei" for the colonization of forest tree species, which consequently lead to the formation of forest patches. This phenomenon is known as nucleation. The mechanism of nucleation is generally attributed to two factors: trees provide perches for frugivores that increase seed deposition (perch effect), and tree crowns ameliorate environmental conditions, which improves seedling establishment (facilitative effect). Few studies have attempted to distinguish the relative importance of these two factors. In this study, I separated these two effects in a woodland in northern Malawi. I chose Ficus natalensis as a potential nuclei tree because large individuals of this species are commonly located at the center of forest patches within open woodland at the study site. I monitored several environmental variables, seedling survival, seedling composition, and seed rain at three microsites: under F. natalensis, under Brachystegia floribunda (a dominant woodland species), and in open sites. Both tree species provided similar favorable conditions for the establishment of forest species compared to open sites. Thus, the survival of forest tree seedlings under F. natalensis and B. floribunda was similar, and substantially higher than seedling survival in open sites. However, communities of naturally occurring seedlings differed significantly between F. natalensis and B. floribunda. These results indicate that the facilitative effect alone cannot explain the nucleation pattern. I attribute this result to the perch effect of F. natalensis because the forest seedling species recorded under F. natalensis reportedly have small, brightly colored diaspores, which are indicative of dispersal by birds. Seed deposition of forest species under F. natalensis was significantly higher than that under B. floribunda or in open sites. My findings reinforce the idea that trees will lead to nucleation when they enhance seed

  19. Bubble nucleation in a Lennard-Jones binary liquid mixture

    NASA Astrophysics Data System (ADS)

    Baidakov, Vladimir G.; Protsenko, Sergey P.; Bryukhanov, Vasiliy M.

    2016-10-01

    We report a molecular dynamics (MD) study of homogeneous bubble nucleation in a stretched Lennard-Jones binary mixture at a temperature close to the solvent triple point. The pressure of the limiting stretching pn corresponding to a fixed value of the nucleation rate has been determined. The values of pn achieved in MD simulation are lower than those calculated from classical nucleation theory (CNT). The discrepancy between the data of MD simulation and CNT may be connected with the neglect in the latter of the size dependence of the surface tension of critical bubbles.

  20. Type I Antifreeze Proteins Enhance Ice Nucleation above Certain Concentrations

    PubMed Central

    Wilson, Peter W.; Osterday, Katie E.; Heneghan, Aaron F.; Haymet, Anthony D. J.

    2010-01-01

    In this study, we examined the effects that antifreeze proteins have on the supercooling and ice-nucleating abilities of aqueous solutions. Very little information on such nucleation currently exists. Using an automated lag time apparatus and a new analysis, we show several dilution series of Type I antifreeze proteins. Our results indicate that, above a concentration of ∼8 mg/ml, ice nucleation is enhanced rather than hindered. We discuss this unexpected result and present a new hypothesis outlining three components of polar fish blood that we believe affect its solution properties in certain situations. PMID:20837472

  1. Homogeneous nucleation of methane hydrates: unrealistic under realistic conditions.

    PubMed

    Knott, Brandon C; Molinero, Valeria; Doherty, Michael F; Peters, Baron

    2012-12-05

    Methane hydrates are ice-like inclusion compounds with importance to the oil and natural gas industry, global climate change, and gas transportation and storage. The molecular mechanism by which these compounds form under conditions relevant to industry and nature remains mysterious. To understand the mechanism of methane hydrate nucleation from supersaturated aqueous solutions, we performed simulations at controlled and realistic supersaturation. We found that critical nuclei are extremely large and that homogeneous nucleation rates are extremely low. Our findings suggest that nucleation of methane hydrates under these realistic conditions cannot occur by a homogeneous mechanism.

  2. Secondary nucleation kinetcs of ammonium sulfate in a CMSMPR crystallizer

    NASA Astrophysics Data System (ADS)

    Daudey, P. J.; van Rosmalen, G. M.; de Jong, E. J.

    1990-01-01

    Secondary nucleation in suspension is most frequently modelled by an empirical "power-law" relating the nucleation rate to supersaturation and to the slurry density of the crystals already present in the solution. In this paper kinetic rate equations are developed based on a general modelling of secondary nucleation employing two mechanisms, surface breeding and mechanical breeding, each consisting of sequential steps. The specific equations gained in this way are used to determine the breeding mechanisms prevailing in suspension crystallization. Ammonium sulfate was used as a test case. For this system it is concluded that surface breeding is the predominant mechanism in both evaporation and cooling experiments.

  3. Kinetic treatment of the nucleation in supersaturated vapors

    NASA Technical Reports Server (NTRS)

    Becker, R; Doring, Werner

    1954-01-01

    The equations of the individual processes of self nucleation are utilized through an electrical analogy to obtain the nucleation frequency. This process is shown to be shorter and less subject to error than that of previous investigators since the appearance of indeterminant integration constants is completely avoided. With the nucleation frequencies of crystals and spheres the Ostwald law of stages is reviewed and modified. In the final section the general resistance image is discussed and mention is made of the relation of the electrical network and Volmer's formula.

  4. Nucleation and chiral symmetry breaking under controlled hydrodynamic flows

    NASA Technical Reports Server (NTRS)

    Wu, Xiao-Lun; Martin, Brian; Tharrington, Arnold

    1994-01-01

    The effects of hydrodynamic convection on nucleation and broken chiral symmetry have been investigated for a simple inorganic molecule, sodium chlorate (NaClO3). Our experiment suggests that the symmetry breaking is a result of hydrodynamic amplification of rare nucleation events. The effect is more pronounced when the primary nucleation occurs on the solute-vapor interface, where mixing in the surface sublayer becomes important. The transition from the achiral to the chiral states appears to be smooth as the hydrodynamic parameters, such as flow rate, are varied.

  5. Temperature dependence of nucleation rate in a binary solid solution

    NASA Astrophysics Data System (ADS)

    Wang, H. Y.; Philippe, T.; Duguay, S.; Blavette, D.

    2012-12-01

    The influence of regression (partial dissolution) effects on the temperature dependence of nucleation rate in a binary solid solution has been studied theoretically. The results of the analysis are compared with the predictions of the simplest Volmer-Weber theory. Regression effects are shown to have a strong influence on the shape of the curve of nucleation rate versus temperature. The temperature TM at which the maximum rate of nucleation occurs is found to be lowered, particularly for low interfacial energy (coherent precipitation) and high-mobility species (e.g. interstitial atoms).

  6. Direct imaging of quantum wires nucleated at diatomic steps

    SciTech Connect

    Molina, S. I.; Varela, M.; Sales, D. L.; Ben, T.; Pizarro, J.; Galindo, P. L.; Fuster, D.; Gonzalez, Y.; Gonzalez, L.; Pennycook, S. J.

    2007-10-01

    Atomic steps at growth surfaces are important heterogeneous sources for nucleation of epitaxial nano-objects. In the presence of misfit strain, we show that the nucleation process takes place preferentially at the upper terrace of the step as a result of the local stress relaxation. Evidence for strain-induced nucleation comes from the direct observation by postgrowth, atomic resolution, Z-contrast imaging of an InAs-rich region in a nanowire located on the upper terrace surface of an interfacial diatomic step.

  7. Estimation of the nucleation rate by differential scanning calorimetry

    NASA Technical Reports Server (NTRS)

    Kelton, Kenneth F.

    1992-01-01

    A realistic computer model is presented for calculating the time-dependent volume fraction transformed during the devitrification of glasses, assuming the classical theory of nucleation and continuous growth. Time- and cluster-dependent nucleation rates are calculated by modeling directly the evolving cluster distribution. Statistical overlap in the volume fraction transformed is taken into account using the standard Johnson-Mehl-Avrami formalism. Devitrification behavior under isothermal and nonisothermal conditions is described. The model is used to demonstrate that the recent suggestion by Ray and Day (1990) that nonisothermal DSC studies can be used to determine the temperature for the peak nucleation rate, is qualitatively correct for lithium disilicate, the glass investigated.

  8. Modelling ice nucleation due to dust

    NASA Astrophysics Data System (ADS)

    Nickovic, Slobodan; Petkovic, Slavko; Pejanovic, Goran; Madonna, Fabio

    2015-04-01

    Formation of cold clouds is enhanced if ice nuclei (IN) are available. Cold clouds contribute at global scale with 60% in average in precipitation and their presence significantly affects the atmospheric radiation properties. It is expected that better description of the IN process should substantially improve cloud parameterization in climate and numerical weather prediction models. Observations show that mineral dust particles are the dominant residuals found in cloud ice. In this study we employ the regional dust DREAM model based on high horizontal and vertical grid resolution to parameterize IN caused by mineral dust. DREAM has been already deployed in a study related to IN process (Klein et al, 2010), also in model experiments using several IN parameterization schemes in support of the IN field experiment CALIMA over Canaries. The model has been also extended by adding the major dust mineral fractions as tracers in order to facilitate staying a role of dust mineralogy in ice nucleation. This study will present parameterization of IN using the simulated dust concentration, water moisture and temperature. Preliminary results of simulated IN will be shown, as well as IN validation against lidar aerosol profiles and ice cloud water profiles observed by cloud radar in the Potenza EARLINET site. This study is an initial step in improving a cloud physics parameterization using IN as an input variable in an integrated dust-atmospheric modelling system.

  9. Optical diabolos: Configurations, nucleations, transformations, and reactions

    NASA Astrophysics Data System (ADS)

    Freund, Isaac

    2007-04-01

    Generically, elliptically polarized optical beams contain C points, isolated points of circular polarization embedded in a field of elliptical polarization. At a C point the major axis a and minor axis b of the polarization ellipse are degenerate. As one recedes from a C point this degeneracy is lifted in an unusual manner: surfaces a and b form paired cones that touch at their apex, the C point, to form a double cone known as a diabolo. Diabolos appear in a many different areas of science ranging from the mathematics of curved surfaces (umbilic points) to the optics of biaxial crystals (conical refraction) to the degeneracies of chaotic systems (quantum billiards) to the energy surfaces of polyatomic molecules (conical intersections). The cones of a diabolo are classified as either elliptic or hyperbolic. We show that in optical fields only hyperbolics can nucleate or annihilate, and that elliptics arise from hyperbolic transformations. We also show that hyperbolics divide into two subclasses which give rise to five different diabolo types. We formulate loop rules based on topology and geometry for the various diabolos. These rules constrain the landscapes of all systems that contain diabolos. We use the loop rules to derive the generic transformations and reactions of diabolos and to enumerate the nine basic diabolo landscapes. The theoretical predictions are confirmed using computer simulations of diabolos in elliptically polarized laser beams.

  10. The adsorption of fungal ice-nucleating proteins on mineral dusts: a terrestrial reservoir of atmospheric ice-nucleating particles

    NASA Astrophysics Data System (ADS)

    O'Sullivan, Daniel; Murray, Benjamin J.; Ross, James; Webb, Michael E.

    2016-04-01

    The occurrence of ice-nucleating particles (INPs) in our atmosphere has a profound impact on the properties and lifetime of supercooled clouds. However, the identities, sources and abundances of airborne particles capable of efficiently nucleating ice at relatively low supercoolings (T > -15 °C) remain enigmatic. Recently, several studies have suggested that unidentified biogenic residues in soil dusts are likely to be an important source of these efficient atmospheric INPs. While it has been shown that cell-free proteins produced by common soil-borne fungi are exceptional INPs, whether these fungi are a source of ice-nucleating biogenic residues in soils has yet to be shown. In particular, it is unclear whether upon adsorption to soil mineral particles, the activity of fungal ice-nucleating proteins is retained or is reduced, as observed for other soil enzymes. Here we show that proteins from a common soil fungus (Fusarium avenaceum) do in fact preferentially bind to and impart their ice-nucleating properties to the common clay mineral kaolinite. The ice-nucleating activity of the proteinaceous INPs is found to be unaffected by adsorption to the clay, and once bound the proteins do not readily desorb, retaining much of their activity even after multiple washings with pure water. The atmospheric implications of the finding that nanoscale fungal INPs can effectively determine the nucleating abilities of lofted soil dusts are discussed.

  11. Polymorphism, crystal nucleation and growth in the phase-field crystal model in 2D and 3D

    NASA Astrophysics Data System (ADS)

    Tóth, Gyula I.; Tegze, György; Pusztai, Tamás; Tóth, Gergely; Gránásy, László

    2010-09-01

    We apply a simple dynamical density functional theory, the phase-field crystal (PFC) model of overdamped conservative dynamics, to address polymorphism, crystal nucleation, and crystal growth in the diffusion-controlled limit. We refine the phase diagram for 3D, and determine the line free energy in 2D and the height of the nucleation barrier in 2D and 3D for homogeneous and heterogeneous nucleation by solving the respective Euler-Lagrange (EL) equations. We demonstrate that, in the PFC model, the body-centered cubic (bcc), the face-centered cubic (fcc), and the hexagonal close-packed structures (hcp) compete, while the simple cubic structure is unstable, and that phase preference can be tuned by changing the model parameters: close to the critical point the bcc structure is stable, while far from the critical point the fcc prevails, with an hcp stability domain in between. We note that with increasing distance from the critical point the equilibrium shapes vary from the sphere to specific faceted shapes: rhombic dodecahedron (bcc), truncated octahedron (fcc), and hexagonal prism (hcp). Solving the equation of motion of the PFC model supplied with conserved noise, solidification starts with the nucleation of an amorphous precursor phase, into which the stable crystalline phase nucleates. The growth rate is found to be time dependent and anisotropic; this anisotropy depends on the driving force. We show that due to the diffusion-controlled growth mechanism, which is especially relevant for crystal aggregation in colloidal systems, dendritic growth structures evolve in large-scale isothermal single-component PFC simulations. An oscillatory effective pair potential resembling those for model glass formers has been evaluated from structural data of the amorphous phase obtained by instantaneous quenching. Finally, we present results for eutectic solidification in a binary PFC model.

  12. Adiabatic nucleation in the liquid-vapor phase transition

    NASA Astrophysics Data System (ADS)

    de Sá, Elon M.; Meyer, Erich; Soares, Vitorvani

    2001-05-01

    The fundamental difference between classical (isothermal) nucleation theory (CNT) and adiabatic nucleation theory (ANT) is discussed. CNT uses the concept of isothermal heterophase fluctuations, while ANT depends on common fluctuations of the thermodynamic variables. Applications to the nonequilibrium liquid to vapor transition are shown. However, we cannot yet calculate nucleation frequencies. At present, we can only indicate at what temperatures and pressures copious homogeneous nucleation is expected in the liquid to vapor phase transition. It is also explained why a similar general indication cannot be made for the inverse vapor to liquid transition. Simultaneously, the validity of Peng-Robinson's equation of state [D.-Y. Peng and D. B. Robinson, Ind. Eng. Chem. Fundam. 15, 59 (1976)] is confirmed for highly supersaturated liquids.

  13. Nucleating quark droplets in the core of magnetars

    NASA Astrophysics Data System (ADS)

    Kroff, D.; Fraga, E. S.

    2015-01-01

    To assess the possibility of homogeneous nucleation of quark matter in magnetars, we investigate the formation of chirally symmetric droplets in a cold and dense environment in the presence of an external magnetic field. As a framework, we use the one-loop effective potential of the two-flavor quark-meson model. Within the thin-wall approximation, we extract all relevant nucleation parameters and provide an estimate for the typical time scales for the chiral phase conversion in magnetized compact star matter. We show how the critical chemical potential, critical radius, correlation length and surface tension are affected, and how their combination to define the nucleation time seems to allow for nucleation of quark droplets in magnetar matter even for not so small values of the surface tension.

  14. Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors

    PubMed Central

    Khalilov, Umedjon; Bogaerts, Annemie; Neyts, Erik C.

    2015-01-01

    Atomic scale simulations of the nucleation and growth of carbon nanotubes is essential for understanding their growth mechanism. In spite of over twenty years of simulation efforts in this area, limited progress has so far been made on addressing the role of the hydrocarbon growth precursor. Here we report on atomic scale simulations of cap nucleation of single-walled carbon nanotubes from hydrocarbon precursors. The presented mechanism emphasizes the important role of hydrogen in the nucleation process, and is discussed in relation to previously presented mechanisms. In particular, the role of hydrogen in the appearance of unstable carbon structures during in situ experimental observations as well as the initial stage of multi-walled carbon nanotube growth is discussed. The results are in good agreement with available experimental and quantum-mechanical results, and provide a basic understanding of the incubation and nucleation stages of hydrocarbon-based CNT growth at the atomic level. PMID:26691537

  15. Mediating conducting polymer growth within hydrogels by controlling nucleation

    NASA Astrophysics Data System (ADS)

    Patton, A. J.; Green, R. A.; Poole-Warren, L. A.

    2015-01-01

    This study examines the efficacy of primary and secondary nucleation for electrochemical polymerisation of conductive polymers within poly(vinyl alcohol) methacrylate hydrogels. The two methods of nucleation investigated were a primary heterogeneous mechanism via introduction of conductive bulk metallic glass (Mg64Zn30Ca5Na1) particles and a secondary mechanism via introduction of "pre-polymerised" conducting polymer within the hydrogel (PEDOT:PSS). Evidence of nucleation was not seen in the bulk metallic glass loaded gels, however, the PEDOT:PSS loaded gels produced charge storage capacities over 15 mC/cm2 when sufficient polymer was loaded. These studies support the hypothesis that secondary nucleation is an efficient approach to producing stand-alone conducting hydrogels.

  16. Preface: Special Topic on Nucleation: New Concepts and Discoveries

    NASA Astrophysics Data System (ADS)

    Kelton, K. F.; Frenkel, Daan

    2016-12-01

    Many phenomena in the world around us depend on infrequent, yet short-lived, events that completely alter how a system subsequently develops in time. In the physical sciences, there are many examples of such crucial "rare events." Among the most important of these are nucleation processes, in which, due to a rare fluctuation, a new phase forms spontaneously within a meta-stable parent phase. Because nucleation processes are both rare and rapid and happen on a microscopic spatial scale, their experimental study is challenging. In recent years, there have been major developments both in the experimental study of nucleation phenomena and in the numerical simulation of such processes. As the articles in this special issue demonstrate, these recent advances in the ability to probe nucleation phenomena have transformed our understanding of the field.

  17. Kinetic Monte Carlo simulation of the classical nucleation process

    NASA Astrophysics Data System (ADS)

    Filipponi, A.; Giammatteo, P.

    2016-12-01

    We implemented a kinetic Monte Carlo computer simulation of the nucleation process in the framework of the coarse grained scenario of the Classical Nucleation Theory (CNT). The computational approach is efficient for a wide range of temperatures and sample sizes and provides a reliable simulation of the stochastic process. The results for the nucleation rate are in agreement with the CNT predictions based on the stationary solution of the set of differential equations for the continuous variables representing the average population distribution of nuclei size. Time dependent nucleation behavior can also be simulated with results in agreement with previous approaches. The method, here established for the case in which the excess free-energy of a crystalline nucleus is a smooth-function of the size, can be particularly useful when more complex descriptions are required.

  18. Injection of highly supersaturated oxygen solutions without nucleation.

    PubMed

    Creech, J; Divino, V; Patterson, W; Zalesky, P J; Brennen, C E

    2002-12-01

    It is possible to inject highly supersaturated aqueous solutions of gas through a small capillary into an aqueous environment without the formation of significant gas bubbles. Such a technique has considerable potential therapeutic value in the treatment, for example, of heart attacks and strokes. The present paper is the second in a series (see Brereton et al. [1]) investigating the basic phenomenon behind this surprising effect. Recent experiments clearly demonstrate that the nucleation, when it does occur, results from heterogeneous nucleation on the interior surface of the distal end of the capillary. This paper describes the effects of the treatment of this interior surface on the nucleation processes and the results of high speed video observations of the phenomena. A heterogeneous nucleation model is presented which is in accord with the experimental observations.

  19. THEORETICAL STUDIES OF NUCLEATION KINETICS AND NANODROPLET MICROSTRUCTURE

    SciTech Connect

    Wilemski, Gerald

    2009-01-31

    The goals of this project were to (1) explore ways of bridging the gap between fundamental molecular nucleation theories and phenomenological approaches based on thermodynamic reasoning, (2) test and improve binary nucleation theory, and (3) provide the theoretical underpinning for a powerful new experimental technique, small angle neutron scattering (SANS) from nanodroplet aerosols, that can probe the compositional structure of nanodroplets. This report summarizes the accomplishments of this project in realizing these goals. Publications supported by this project fall into three general categories: (1) theoretical work on nucleation theory (2) experiments and modeling of nucleation and condensation in supersonic nozzles, and (3) experimental and theoretical work on nanodroplet structure and neutron scattering. These publications are listed and briefly summarized in this report.

  20. Ice Nucleation Near the Surfactant-Water Interface

    NASA Astrophysics Data System (ADS)

    Carlin, Caleb; Cantrell, Will; Taylor, Caroline

    2008-03-01

    Ice nucleation is a fundamental component of the atmospheric mechanisms driving the formation of clouds. Atmospheric nucleation occurs with a variety of compounds and conditions, but understanding the behavior of water is key in all cases. We have used multiscale molecular simulations to study heterogeneous nucleation in clouds, probing the influence of long-chain alcohols on the freezing of water droplets. Ice nucleation occurs at a finite distance from the heterogeneous surface, due to the disruption of the hydrogen bond network in response to the surfactant-water interface. The penetration depth of the disturbance is found to be dependent upon the chain length and surface organization, as well as the acidity of the terminal alcohol group.

  1. Laboratory Studies of Ice Nucleation on Volcanic Ash

    NASA Astrophysics Data System (ADS)

    Tolbert, M. A.; Schill, G. P.; Genareau, K. D.

    2014-12-01

    Ice nucleation on volcanic ash controls both ash aggregation and cloud glaciation, which affect human respiratory health, atmospheric transport, and global climate. We have performed laboratory studies of the depositional and immersion freezing efficiency of three distinct samples of volcanic ash using Raman Microscopy coupled to an environmental cell. Ash from the Fuego (Basaltic Ash, Guatemala), Soufriere Hills (Andesetic Ash, Montserrat), and Taupo (Rhyolitic Ash, New Zealand) volcanoes were chosen to represent different geographical locations and silica content. All ash samples were quantitatively analyzed for both percent crystallinity and mineralogy using X-ray diffraction. We find that all three samples of volcanic ash are excellent depositional ice nuclei, nucleating ice at ice saturation ratios of 1.05 ± 0.1. For immersion freezing, however, only the Taupo ash exhibited efficient heterogeneous ice nucleation activity. Similar to recent studies on mineral dust, we suggest that the mineralogy of volcanic ash may dictate its ice nucleation activity in the immersion mode.

  2. In Situ Investigations into CaCO3 Nucleation

    NASA Astrophysics Data System (ADS)

    Nielsen, Michael Harold

    Classical theories of nucleation were developed over a hundred years ago starting with Gibbs. However, much remains unknown about the process of phase transition in aqueous electrolyte solutions due to the lack of experimental tools able to probe dynamic processes at the time and length scales of the phase transformation. In the calcium carbonate system, recent discovery of an amorphous phase, as well as the suggested existence of potential precursor states such as so-called 'pre-nucleation clusters' or dense liquid droplets, has called into question the utility of the classical framework in making accurate predictions of nucleation. Added to these questions are those regarding the effects that chemical templates have on nucleating calcium carbonate. Many organisms use complex organic matrices to form architecturally complex functional structures out of sea water at ambient temperatures. By contrast, laboratory methods to materials synthesis often require extreme conditions yet maintain at best a low level of control over the development of the resulting material. With the goal of tightly controlling formation of functional materials, scientists have looked to such biomineral systems for inspiration. Self-assembled monolayers (SAMs) of functionalized alkanethiols have been found to act as idealized chemical templates for calcium carbonate nucleation, controlling the nucleating plane of the calcite phase for many surface functionalities. Yet there remain many open questions as to the fundamental mechanisms by which these templates achieve this control. In this dissertation many investigations of calcium carbonate nucleation are discussed, which examine the nucleation pathways of calcium carbonate and mechanisms of control by which alkanethiol surfaces direct the oriented formation of calcite. Traditional in situ microscopy techniques are used to make nucleation rate measurements of templated calcite nucleation on alkanethiol SAMs to test the applicability of the

  3. Nucleation of carbon nanostructures: Molecular dynamics with reactive potentials

    NASA Astrophysics Data System (ADS)

    Galiullina, G. M.; Orekhov, N. D.; Stegailov, V. V.

    2016-11-01

    In this paper, we present our first results in the study of the details of nucleation in the homogeneous carbon gas phase using computer calculations with molecular dynamics methods. Direct and controlled molecular-dynamics approaches are used and two reactive potentials (ReaxFF and AIREBO) are compared. The calculations have shown that the nucleation process in the AIREBO model is going more actively than in the ReaxFF one.

  4. Nucleation of strange matter in dense stellar cores

    SciTech Connect

    Horvath, J.E. Sao Paulo, Sao Paulo ); Benvenuto, O.G. La Plata ); Vucetich, H. La Plata )

    1992-05-15

    We investigate the nucleation of strange quark matter inside hot, dense nuclear matter. Applying Zel'dovich's kinetic theory of nucleation we find a lower limit of the temperature {ital T} for strange-matter bubbles to appear, which happens to be satisfied inside the Kelvin-Helmholtz cooling era of a compact star life but not much after it. Our bounds thus suggest that a prompt conversion could be achieved, giving support to earlier expectations for nonstandard type-II supernova scenarios.

  5. Nucleation and transients at the onset of vortex turbulence

    NASA Technical Reports Server (NTRS)

    Huber, Greg; Alstrom, Preben; Bohr, Tomas

    1992-01-01

    We present analytical and numerical results that explain the transient turbulent dynamics observed in the complex Ginzburg-Landau equation. Just below the transition to turbulence, we observe that metastable turbulent states break down by the nucleation and growth of single-vortex droplets, leading to a 'frozen' state with a low (but finite) density of stationary vortices. We derive the relation between nucleation time and radius, and determine their dependence on the distance to the turbulence transition line.

  6. Nucleation of mesospheric cloud particles: Sensitivities and limits

    NASA Astrophysics Data System (ADS)

    Wilms, Henrike; Rapp, Markus; Kirsch, Annekatrin

    2016-03-01

    Nucleation of mesospheric ice particles is thought to occur via heterogeneous nucleation on meteor smoke particles. However, several factors determining the nucleation rate are poorly known. To study the effect of uncertainties in the nucleation rate on cloud properties, we use the Community Aerosol and Radiation Model for Atmospheres and systematically vary the nucleation rate over ±10 orders of magnitude. In one set of simulations, the background state of the atmosphere is described by climatological conditions. In a second set, gravity wave-perturbed profiles from the Kühlungsborn Mechanistic general Circulation Model (KMCM) are used with typical temperature (vertical wind) perturbations at the mesopause on the order of 9 K (0.45 m/s). The resulting noctilucent cloud (NLC) characteristics are compared to lidar and satellite measurements. Realistic NLCs compared to the lidar measurements can only be modeled if the nucleation rate is reduced by up to 3 orders of magnitude compared to standard assumptions. For the same cases, the simulated NLCs compare best to the satellite measurements if the nucleation rate is reduced by 2 orders of magnitude or more. Dynamical processes at the mesopause strongly influence the NLC development. In a gravity wave-perturbed atmosphere, the ice particles have only limited time for nucleation and growth. The growth time is limited by the vertical wind, because the vertical wind determines the residence time of the ice particles in the supersaturated region. Since the vertical wind amplitudes reach 1.5 m/s in KMCM (compared to a mean upwelling of ˜4 cm/s in the climatology), the ice particles remain significantly smaller in a gravity wave-perturbed atmosphere than in climatological background conditions.

  7. Nucleation from seawater emissions during mesocosm experiments

    NASA Astrophysics Data System (ADS)

    Rose, Clémence; Culot, Anais; Pey, Jorge; Schwier, Allison; Mas, Sébastien; Charriere, Bruno; Sempéré, Richard; Marchand, Nicolas; D'Anna, Barbara; Sellegri, Karine

    2015-04-01

    Nucleation and new particle formation in the marine atmosphere is usually associated to the presence of macroalgea emerged at low tides in coastal areas, while these processes were very rarely detected away from coastlines. In the present study, we evidence the formation of new particles from the 1 nm size above the seawater surface in the absence of any macroalgea population. Within the SAM project (Sources of marine Aerosol in the Mediterranean),seawater mesocosms experiments were deployed in May 2013 at the STARESO in western Corsica, with the goal of investigating the relationship between marine aerosol emissions and the seawater biogeochemical properties. Three mesocosms imprisoned 3,3 m3 of seawater each and their emerged part was flushed with aerosol-filtered natural air. One of these mesocosms was left unchanged as control and the two others were enriched by addition of nitrates and phosphates respecting Redfield ratio (N:P = 16) in order to create different levels of phytoplanctonic activities. We followed both water and air characteristics of three mesocosms during a period of three weeks by using online water and atmospheric probes as well as seawater daily samples for chemical and biological analysis. Secondary new particle formation was followed on-line in the emerged parts of the mesocosms, using a SMPS for the size distribution above 6 nm and a Particle Size Magnifyer (PSM) for the number of cluster particles between 1 and 6 nm. We will present how the cluster formation rates and early growth rates relate to the gaz-phase emissions from the seawater and to its biogeochemical properties. Aknowledgemnts: The authors want to acknowledge the financial support of the ANR "Source of marine Aerosol in the Mediterranean" (SAM), and the support of MISTRAL CHARMEX and MERMEX programs.

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

    SciTech Connect

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

    2015-09-09

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

  9. Observer dependence of bubble nucleation and Schwinger pair production

    SciTech Connect

    Garriga, Jaume; Kanno, Sugumi; Vilenkin, Alexander; Sasaki, Misao; Soda, Jiro E-mail: sugumi@cosmos.phy.tufts.edu E-mail: jiro@tap.scphys.kyoto-u.ac.jp

    2012-12-01

    Pair production in a constant electric field is closely analogous to bubble nucleation in a false vacuum. The classical trajectories of the pairs are Lorentz invariant, but it appears that this invariance should be broken by the nucleation process. Here, we use a model detector, consisting of other particles interacting with the pairs, to investigate how pair production is seen by different Lorentzian observers. We focus on the idealized situation where a constant external electric field is present for an infinitely long time, and we consider the in-vacuum state for a charged scalar field that describes the nucleating pairs. The in-vacuum is defined in terms of modes which are positive frequency in the remote past. Even though the construction uses a particular reference frame and a gauge where the vector potential is time dependent, we show explicitly that the resulting quantum state is Lorentz invariant. We then introduce a ''detector'' particle which interacts with the nucleated pairs, and show that all Lorentzian observers will see the particles and antiparticles nucleating preferentially at rest in the detector's rest frame. Similar conclusions are expected to apply to bubble nucleation in a sufficiently long lived vacuum. We also comment on certain unphysical aspects of the Lorentz invariant in-vacuum, associated with the fact that it contains an infinite density of particles. This can be easily remedied by considering Lorentz breaking initial conditions.

  10. Geometry as a catalyst: how vapor cavities nucleate from defects.

    PubMed

    Giacomello, Alberto; Chinappi, Mauro; Meloni, Simone; Casciola, Carlo Massimo

    2013-12-03

    The onset of cavitation is strongly enhanced by the presence of rough surfaces or impurities in the liquid. Despite decades of research, the way the geometry of these defects promote the nucleation of bubbles and its effect on the kinetics of the process remains largely unclear. We present here a comprehensive explanation of the catalytic action that roughness elements exert on the nucleation process for both pure vapor cavities and gas ones. This approach highlights that nucleation may follow nontrivial paths connected with a sharp decrease of the free energy barriers as compared to flat surfaces. Furthermore, we demonstrate the existence of intermediate metastable states that break the nucleation process in multiple steps; these states correspond to what is commonly known as cavitation nuclei. A single dimensionless parameter, the nucleation number, is found to control this rich phenomenology. The devised theory allows one to quantify the effect of the geometry and hydrophobicity of surface asperities on nucleation. Within the same framework, it is possible to treat both vapor cavitation, which is relevant, e.g., for organic liquids, and gas-promoted cavitation, which is commonly encountered in water. The theory is shown to be valid from the nano- to the macroscale.

  11. Nucleation and growth of zinc from chloride concentrated solutions

    SciTech Connect

    Trejo, G.; Ortega B, R.; Meas V, Y.; Ozil, P.; Chainet, E.; Nguyen, B.

    1998-12-01

    The electrodeposition of metals is a complex phenomenon influenced by a number of factors that modify the rates of nucleation and growth and determine the properties of the deposits. In this work the authors study the influence of the zinc chloride (ZnCl{sub 2}) concentration on the zinc nucleation process on glassy carbon, in a KCl electrolyte under conditions close to those employed in commercial acid deposition baths for zinc. The electrochemical study was performed using cyclic voltammetry and potentiostatic current-time transients. The charge-transfer coefficient and the formal potential for ZnCl{sub 2} reduction were evaluated from cyclic voltammetry experiments. The nucleation process was analyzed by comparing the transients obtained with the known dimensionless (i/i{sub m}){sup 2} vs. t/t{sub m} response for instantaneous or progressive nucleation. The results show that the nucleation process and the number density of sites are dependent on ZnCl{sub 2} concentration. Scanning electron microscopy analysis of the deposits shows that the deposits are homogeneous and compact although a change in the morphology is observed as a function of ZnCl{sub 2} concentration. Evaluation of the corrosion resistance reveals the influence of the nucleation process on the subsequent corrosion resistance of the zinc deposits.

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

    NASA Astrophysics Data System (ADS)

    Binder, Kurt; Virnau, Peter

    2016-12-01

    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.

  13. Connection of sulfuric acid to atmospheric nucleation in boreal forest.

    PubMed

    Nieminen, T; Manninen, H E; Sihto, S L; Yli-Juuti, T; Mauldin, R L; Petäjä, T; Riipinen, I; Kerminen, V M; Kulmala, M

    2009-07-01

    Gas to particle conversion in the boundary layer occurs worldwide. Sulfuric acid is considered to be one of the key components in these new particle formation events. In this study we explore the connection between measured sulfuric acid and observed formation rate of both charged 2 nm as well as neutral clusters in a boreal forest environment A very short time delay of the order of ten minutes between these two parameters was detected. On average the event days were clearly associated with higher sulfuric acid concentrations and lower condensation sink (CS) values than the nonevent days. Although there was not a clear sharp boundary between the nucleation and no-nucleation days in sulfuric acid-CS plane, at our measurement site a typical threshold concentration of 3.10(5) molecules cm(-3) of sulfuric acid was needed to initiate the new particle formation. Two proposed nucleation mechanisms were tested. Our results are somewhat more in favor of activation type nucleation than of kinetic type nucleation, even though our data set is too limited to omit either of these two mechanisms. In line with earlier studies, the atmospheric nucleation seems to start from sizes very close to 2 nm.

  14. Nucleation and growth kinetics of biochemicals measured at high supersaturations

    NASA Astrophysics Data System (ADS)

    Mahajan, Amarjit J.; Kirwan, Donald J.

    1994-12-01

    A grid mixer device (characteristic micromixing time < 3 ms) was successfully used to measure both nucleation and growth kinetics of lovastatin in 60 vol% methanol and asparagine monohydrate in 50 vol% 2-propanol at 23°C at high supersaturations but in the absence of mixing limitations. The supersaturation ratios investigated were in the range 1.25-8.8 for the lovastatin system and 1.17-4.1 for the asparagine system. When plotted according to primary nucleation theory, the induction time and nucleation rate measurements for both systems exhibited a homogeneous nucleation region at high supersaturations and a heterogeneous nucleation region at low supersaturations. The values of interfacial free energy extracted from these measurements for lovastatin (1.4-1.6 mJ/m 2) and asparagine (4.5-6.1 mJ/m 2) were an order-of-magnitude lower than those for inorganic salts reflecting the weaker intermolecular bonding in such biochemical solutes. The measured crystal growth rates for both solutes over the entire range of supersaturation could be represented with a power law dependence on chemical potential driving force. The kinetic orders of crystal growth were found to be 6.7 and 2.9 for lovastatin and asparagine, respectively. These unusually high kinetic orders could be represented by a polynuclear surface nucleation growth mechanism. The activation energy for the growth of lovastatin was measured as 280 kJ/mol.

  15. Control of Protein Crystal Nucleation and Growth Using Stirring Solution

    NASA Astrophysics Data System (ADS)

    Niino, Ai; Adachi, Hiroaki; Takano, Kazufumi; Matsumura, Hiroyoshi; Kinoshita, Takayoshi; Warizaya, Masaichi; Inoue, Tsuyoshi; Mori, Yusuke; Sasaki, Takatomo

    2004-11-01

    We have previously developed a protein crystallization technique using a stirring protein solution and revealed that (i) continuous stirring prevents excess spontaneous nucleation and accelerates the growth of protein crystals and (ii) prestirring (solution stirring in advance) promotes the crystal nucleation of hen egg-white lysozyme. In bovine adenosine deaminase (ADA) crystallization, continuous stirring improves the crystal quality but elongates the nucleation time. In this paper, in order to control both the crystal nucleation and growth of ADA using a Micro-Stirring technique, we carried out five different stirring patterns such as (i) no stirring, (ii) continuous stirring, (iii) prestirring, (iv) poststirring (stirring late in the growth period) and (v) restirring (combined pre- and poststirring). The results showed that high-quality well-shaped crystals were obtained under the continuous stirring and restirring conditions and the nucleation time under the prestirring and restirring conditions was shorter than that under the continuous stirring and poststirring conditions. Consequently, high-quality crystals were promptly obtained under the restirring condition. These results suggest that we are able to control both the nucleation and growth of protein crystals with the stirring techniques.

  16. Efficient nucleation of stardust silicates via heteromolecular homogeneous condensation

    NASA Astrophysics Data System (ADS)

    Goumans, T. P. M.; Bromley, Stefan T.

    2012-03-01

    Dust particles, ubiquitous throughout the Universe, continuously evolve in processes closely entangled with the stellar life cycle. Dust nucleates in outflows of dying stars and is heavily processed in the journey through the interstellar medium, until it is finally subsumed in a next-generation star or its surrounding planetary system. Although the formation of silicates has been studied experimentally and theoretically for decades, the stardust nucleation process in the condensation zone of oxygen-rich stellar outflows still remains mysterious. These silicates are mostly ternary oxides consisting of O, Mg and Si, which cannot nucleate directly from gaseous monomers. Previous work has suggested that silicates form on nucleation seeds consisting of low-abundant elements or from addition of metals to SiO-nuclei. However, our extensive computational study of the thermodynamic properties of a large number of clusters shows that pure SiO nucleation is unfeasible, while heteromolecular nucleation of Mg, SiO and H2O is a plausible mechanism to form magnesium silicates under stellar outflow conditions.

  17. Effects of ensembles on methane hydrate nucleation kinetics.

    PubMed

    Zhang, Zhengcai; Liu, Chan-Juan; Walsh, Matthew R; Guo, Guang-Jun

    2016-06-21

    By performing molecular dynamics simulations to form a hydrate with a methane nano-bubble in liquid water at 250 K and 50 MPa, we report how different ensembles, such as the NPT, NVT, and NVE ensembles, affect the nucleation kinetics of the methane hydrate. The nucleation trajectories are monitored using the face-saturated incomplete cage analysis (FSICA) and the mutually coordinated guest (MCG) order parameter (OP). The nucleation rate and the critical nucleus are obtained using the mean first-passage time (MFPT) method based on the FS cages and the MCG-1 OPs, respectively. The fitting results of MFPT show that hydrate nucleation and growth are coupled together, consistent with the cage adsorption hypothesis which emphasizes that the cage adsorption of methane is a mechanism for both hydrate nucleation and growth. For the three different ensembles, the hydrate nucleation rate is quantitatively ordered as follows: NPT > NVT > NVE, while the sequence of hydrate crystallinity is exactly reversed. However, the largest size of the critical nucleus appears in the NVT ensemble, rather than in the NVE ensemble. These results are helpful for choosing a suitable ensemble when to study hydrate formation via computer simulations, and emphasize the importance of the order degree of the critical nucleus.

  18. Global Simulations of Ice nucleation and Ice Supersaturation with an Improved Cloud Scheme in the Community Atmosphere Model

    SciTech Connect

    Gettelman, A.; Liu, Xiaohong; Ghan, Steven J.; Morrison, H.; Park, Sungsu; Conley, Andrew; Klein, Stephen A.; Boyle, James; Mitchell, David; Li, J-L F.

    2010-09-28

    A process-based treatment of ice supersaturation and ice-nucleation is implemented in the National Center for Atmospheric Research (NCAR) Community Atmosphere Model (CAM). The new scheme is designed to allow (1) supersaturation with respect to ice, (2) ice nucleation by aerosol particles and (3) ice cloud cover consistent with ice microphysics. The scheme is implemented with a 4-class 2 moment microphysics code and is used to evaluate ice cloud nucleation mechanisms and supersaturation in CAM. The new model is able to reproduce field observations of ice mass and mixed phase cloud occurrence better than previous versions of the model. Simulations indicate heterogeneous freezing and contact nucleation on dust are both potentially important over remote areas of the Arctic. Cloud forcing and hence climate is sensitive to different formulations of the ice microphysics. Arctic radiative fluxes are sensitive to the parameterization of ice clouds. These results indicate that ice clouds are potentially an important part of understanding cloud forcing and potential cloud feedbacks, particularly in the Arctic.

  19. γ-Tubulin Is Essential for Acentrosomal Microtubule Nucleation and Coordination of Late Mitotic Events in Arabidopsis[W

    PubMed Central

    Binarová, Pavla; Cenklová, Věra; Procházková, Jiřina; Doskočilová, Anna; Volc, Jindřich; Vrlík, Martin; Bögre, László

    2006-01-01

    γ-Tubulin is required for microtubule (MT) nucleation at MT organizing centers such as centrosomes or spindle pole bodies, but little is known about its noncentrosomal functions. We conditionally downregulated γ-tubulin by inducible expression of RNA interference (RNAi) constructs in Arabidopsis thaliana. Almost complete RNAi depletion of γ-tubulin led to the absence of MTs and was lethal at the cotyledon stage. After induction of RNAi expression, γ-tubulin was gradually depleted from both cytoplasmic and microsomal fractions. In RNAi plants with partial loss of γ-tubulin, MT recovery after drug-induced depolymerization was impaired. Similarly, immunodepletion of γ-tubulin from Arabidopsis extracts severely compromised in vitro polymerization of MTs. Reduction of γ-tubulin protein levels led to randomization and bundling of cortical MTs. This finding indicates that MT-bound γ-tubulin is part of a cortical template guiding the microtubular network and is essential for MT nucleation. Furthermore, we found that cells with decreased levels of γ-tubulin could progress through mitosis, but cytokinesis was strongly affected. Stepwise diminution of γ-tubulin allowed us to reveal roles for MT nucleation in plant development, such as organization of cell files, anisotropic and polar tip growth, and stomatal patterning. Some of these functions of γ-tubulin might be independent of MT nucleation. PMID:16603653

  20. Center Size and Center Performance.

    ERIC Educational Resources Information Center

    Helburn, Suzanne; Morris, John

    1996-01-01

    Examined the impact of child care center size on cost, quality, and profits per child. Examined centers ranging from 40 to 80 children and found total cost and revenue per child were similar for small, medium, and large centers. Found profits per child were highest in large centers and that there was no relationship between center quality and…

  1. Improved quasi-unary nucleation model for binary H2SO4-H2O homogeneous nucleation

    NASA Astrophysics Data System (ADS)

    Yu, Fangqun

    2007-08-01

    Aerosol nucleation events have been observed at a variety of locations worldwide, and may have significant climatic and health implications. Binary homogeneous nucleation (BHN) of H2SO4 and H2O is the foundation of recently proposed nucleation mechanisms involving additional species such as ammonia, ions, and organic compounds, and it may dominate atmospheric nucleation under certain conditions. We have shown in previous work that H2SO4-H2O BHN can be treated as a quasi-unary nucleation (QUN) process involving H2SO4 in equilibrium with H2O vapor, and we have developed a self-consistent kinetic model for H2SO4-H2O nucleation. Here, the QUN approach is improved, and an analytical expression yielding H2SO4-H2O QUN rates is derived. Two independent measurements related to monomer hydration are used to constrain the equilibrium constants for this process, which reduces a major source of uncertainty. It is also shown that the capillarity approximation may lead to a large error in the calculated Gibbs free energy change for the evaporation of H2SO4 molecules from small H2SO4-H2O clusters, which affects the accuracy of predicted BHN nucleation rates. The improved QUN model—taking into account the recently measured energetics of small clusters—is thermodynamically more robust. Moreover, predicted QUN nucleation rates are in better agreement with available experimental data than rates calculated using classical H2SO4-H2O BHN theory.

  2. Transient effects in ice nucleation of a water drop impacting onto a cold substrate

    NASA Astrophysics Data System (ADS)

    Schremb, Markus; Roisman, Ilia V.; Tropea, Cameron

    2017-02-01

    The impact of water drops onto a solid surface at subfreezing temperatures has been experimentally studied. Drop nucleation has been observed using a high-speed video system. The statistics of nucleation allows the estimation of the average number of nucleation sites per unit area of the wetted part of the substrate. We have discovered that the nucleation rate in the impacting drop is not constant. The observed significant increase of the nucleation rate at small times after impact t <50 ms can be explained by the generation of nanobubbles at early times of drop impact. These bubbles serve as additional nucleation sites and enhance the nucleation rate.

  3. The adsorption of fungal ice-nucleating proteins on mineral dusts: a terrestrial reservoir of atmospheric ice-nucleating particles

    NASA Astrophysics Data System (ADS)

    O'Sullivan, Daniel; Murray, Benjamin J.; Ross, James F.; Webb, Michael E.

    2016-06-01

    The occurrence of ice-nucleating particles (INPs) in our atmosphere has a profound impact on the properties and lifetime of supercooled clouds. To date, the identities, sources and abundances of particles capable of nucleating ice at relatively low supercoolings (T > -15 °C) remain enigmatic. While biomolecules such as proteins and carbohydrates have been implicated as important high-temperature INPs, the lack of knowledge on the environmental fates of these species makes it difficult to assess their potential atmospheric impacts. Here we show that such nanoscale ice-nucleating proteins from a common soil-borne fungus (Fusarium avenaceum) preferentially bind to and confer their ice-nucleating properties to kaolinite. The ice-nucleating activity of the proteinaceous INPs is unaffected by adsorption to the clay, and once bound the proteins do not readily desorb, retaining much of the activity even after multiple washings with pure water. The atmospheric implications of the finding that biological residues can confer their ice-nucleating ability to dust particles are discussed.

  4. Ran-dependent TPX2 activation promotes acentrosomal microtubule nucleation in neurons

    PubMed Central

    Chen, Wen-Shin; Chen, Yi-Ju; Huang, Yung-An; Hsieh, Bing-Yuan; Chiu, Ho-Chieh; Kao, Pei-Ying; Chao, Chih-Yuan; Hwang, Eric

    2017-01-01

    The microtubule (MT) cytoskeleton is essential for the formation of morphologically appropriate neurons. The existence of the acentrosomal MT organizing center in neurons has been proposed but its identity remained elusive. Here we provide evidence showing that TPX2 is an important component of this acentrosomal MT organizing center. First, neurite elongation is compromised in TPX2-depleted neurons. In addition, TPX2 localizes to the centrosome and along the neurite shaft bound to MTs. Depleting TPX2 decreases MT formation frequency specifically at the tip and the base of the neurite, and these correlate precisely with the regions where active GTP-bound Ran proteins are enriched. Furthermore, overexpressing the downstream effector of Ran, importin, compromises MT formation and neuronal morphogenesis. Finally, applying a Ran-importin signaling interfering compound phenocopies the effect of TPX2 depletion on MT dynamics. Together, these data suggest a model in which Ran-dependent TPX2 activation promotes acentrosomal MT nucleation in neurons. PMID:28205572

  5. Fluorescence Studies of Protein Crystal Nucleation

    NASA Technical Reports Server (NTRS)

    Pusey, Marc L.

    1999-01-01

    Fluorescence can be used to study protein crystal nucleation through methods such as anisotropy, quenching, and resonance energy transfer (FRET), to follow pH and ionic strength changes, and follow events occurring at the growth interface. We have postulated, based upon a range of experimental evidence that the growth unit of tetragonal hen egg white lysozyme is an octamer. Several fluorescent derivatives of chicken egg white lysozyme have been prepared. The fluorescent probes lucifer yellow (LY), cascade blue, and 5-((2-aminoethyl)aminonapthalene-1-sulfonic acid (EDANS), have been covalently attached to ASP 101. All crystallize in the characteristic tetragonal form, indicating that the bound probes are likely laying within the active site cleft. Crystals of the LY and EDANS derivatives have been found to diffract to at least 1.7 A. A second group of derivatives is to the N-terminal amine group, and these do not crystallize as this site is part of the contact region between the adjacent 43 helix chains. However derivatives at these sites would not interfere with formation of the 43 helices in solution. Preliminary FRET studies have been carried out using N-terminal bound pyrene acetic acid (Ex 340 nm, Em 376 nm) lysozyme as a donor and LY (Ex -425 nm, Em 525 nm) labeled lysozyme as an acceptor. FRET data have been obtained at pH 4.6, 0.1 M NaAc buffer, at 5 and 7% NaCl, 4 C. The corresponding Csat values are 0.471 and 0.362 mg/ml (approximately 3.3 and approximately 2.5 x 10(exp -5) M respectively). The data at both salt concentrations show a consistent trend of decreasing fluorescence intensity of the donor species (PAA) with increasing total protein concentration. This decrease is more pronounced at 7% NaCl, consistent with the expected increased intermolecular interactions at higher salt concentrations reflected in the lower solubility. The calculated average distance between any two protein molecules at 5 x 10(exp -6) M is approximately 70nm, well beyond the

  6. Thermodynamic Derivation of the Activation Energy for Ice Nucleation

    NASA Technical Reports Server (NTRS)

    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

  7. Role of a nucleation layer in suppressing interfacial pitting in

    NASA Astrophysics Data System (ADS)

    Ballal, A. K.; Salamanca-Riba, L.; Partin, D. L.; Heremans, J.; Green, L.; Fuller, B. K.

    1993-04-01

    In this work, we investigate the role of a low temperature nucleation layer on the interfacial properties of InAs epilayers grown on (100) semi-insulating InP substrates using a two-step metalorganic chemical vapor deposition method. Cross-sectional and plan-view transmission electron microscopy studies were carried out on InAs films of nearly equal total film thicknesses but for different thicknesses of a nucleation layer of InAs deposited at low temperature on the substrate. Our studies show that thermal etchpits are created at the interface between the InAs film, and the InP substrate for thin nucleation layer thicknesses. This is because the low temperature nucleation layer of InAs does not cover completely the surface of the InP substrate. Hence, when the temperature is raised to deposit the bulk of the InAs film, severe thermal pitting is observed at the interface. These thermal etchpits are sources of threading dislocations. To obtain high quality InAs films and suppress interfacial pitting there is an optimum thickness of the nucleation layer. Also, our studies show that there is a relationship between the density of defects in the film and the thickness of the nucleation layer. This in turn relates to the variation of the electronic properties of the InAs films. We have observed that for all nucleation layer thicknesses, the density of threading dislocations is higher close to the interface than at the free surface of the film.

  8. A Study of Nucleate Boiling with Forced Convection in Microgravity

    NASA Technical Reports Server (NTRS)

    Merte, Herman, Jr.

    1999-01-01

    The ultimate objective of basic studies of flow boiling in microgravity is to improve the understanding of the processes involved, as manifested by the ability to predict its behavior. This is not yet the case for boiling heat transfer even in earth gravity, despite the considerable research activity over the past 30 years. The elements that constitute the nucleate boiling process - nucleation, growth, motion, and collapse of the vapor bubbles (if the bulk liquid is subcooled) - are common to both pool and flow boiling. It is well known that the imposition of bulk liquid motion affects the vapor bubble behavior relative to pool boiling, but does not appear to significantly influence the heat transfer. Indeed, it has been recommended in the past that empirical correlations or experimental data of pool boiling be used for design purposes with forced convection nucleate boiling. It is anticipated that such will most certainly not be possible for boiling in microgravity, based on observations made with pool boiling in microgravity. In earth gravity buoyancy will act to remove the vapor bubbles from the vicinity of the heater surface regardless of how much the imposed bulk velocity is reduced, depending, of course, on the geometry of the system. Vapor bubbles have been observed to dramatically increase in size in pool boiling in microgravity, and the heat flux at which dryout took place was reduced considerably below what is generally termed the critical heat flux (CHF) in earth gravity, depending on the bulk liquid subcooling. However, at heat flux levels below dryout, the nucleate pool boiling process was enhanced considerably over that in earth gravity, in spite of the large vapor bubbles formed in microgravity and perhaps as a consequence. These large vapor bubbles tended to remain in the vicinity of the heater surface, and the enhanced heat transfer appeared to be associated with the presence of what variously has been referred to as a liquid microlayer between the

  9. Recent developments in the kinetic theory of nucleation.

    PubMed

    Ruckenstein, E; Djikaev, Y S

    2005-12-30

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

  10. Surface structure, crystallographic and ice-nucleating properties of cellulose

    NASA Astrophysics Data System (ADS)

    Hiranuma, Naruki; Möhler, Ottmar; Kiselev, Alexei; Saathoff, Harald; Weidler, Peter; Shutthanandan, Shuttha; Kulkarni, Gourihar; Jantsch, Evelyn; Koop, Thomas

    2015-04-01

    Increasing evidence of the high diversity and efficient freezing ability of biological ice-nucleating particles is driving a reevaluation of their impact upon climate. Despite their potential importance, little is known about their atmospheric abundance and ice nucleation efficiency, especially non-proteinaceous ones, in comparison to non-biological materials (e.g., mineral dust). Recently, microcrystalline cellulose (MCC; non-proteinaceous plant structural polymer) has been identified as a potential biological ice-nucleating particle. However, it is still uncertain if the ice-nucleating activity is specific to the MCC structure or generally relevant to all cellulose materials, such that the results of MCC can be representatively scaled up to the total cellulose content in the atmosphere to address its role in clouds and the climate system. Here we use the helium ion microscopy (HIM) imaging and the X-ray diffraction (XRD) technique to characterize the nanoscale surface structure and crystalline properties of the two different types of cellulose (MCC and fibrous cellulose extracted from natural wood pulp) as model proxies for atmospheric cellulose particles and to assess their potential accessibility for water molecules. To complement these structural characterizations, we also present the results of immersion freezing experiments using the cold stage-based droplet freezing BINARY (Bielefeld Ice Nucleation ARaY) technique. The HIM results suggest that both cellulose types have a complex porous morphology with capillary spaces between the nanoscale fibrils over the microfiber surface. These surface structures may make cellulose accessible to water. The XRD results suggest that the structural properties of both cellulose materials are in agreement (i.e., P21 space group; a=7.96 Å, b=8.35 Å, c=10.28 Å) and comparable to the crystallographic properties of general monoclinic cellulose (i.e., Cellulose Iβ). The results obtained from the BINARY measurements suggest

  11. Effect of gravity wave temperature variations on homogeneous ice nucleation

    NASA Astrophysics Data System (ADS)

    Dinh, Tra; Podglajen, Aurélien; Hertzog, Albert; Legras, Bernard; Plougonven, Riwal

    2015-04-01

    Observations of cirrus clouds in the tropical tropopause layer (TTL) have shown various ice number concentrations (INC) (e.g., Jensen et al. 2013), which has lead to a puzzle regarding their formation. In particular, the frequently observed low numbers of ice crystals seemed hard to reconcile with homogeneous nucleation knowing the ubuquity of gravity waves with vertical velocity of the order of 0.1 m/s. Using artificial time series, Spichtinger and Krämer (2013) have illustrated that the variation of vertical velocity during a nucleation event could terminate it and limit the INC. However, their study was limited to constructed temperature time series. Here, we carry out numerical simulations of homogeneous ice nucleation forced by temperature time series data collected by isopycnic balloon flights near the tropical tropopause. The balloons collected data at high frequency (30 s), so gravity wave signals are well resolved in the temperature time series. With the observed temperature time series, the numerical simulations with homogeneous freezing show a full range of ice number concentrations (INC) as previously observed in the tropical upper troposphere. The simulations confirm that the dynamical time scale of temperature variations (as seen from observations) can be shorter than the nucleation time scale. They show the existence of two regimes for homogeneous ice nucleation : one limited by the depletion of water vapor by the nucleated ice crystals (those we name vapor events) and one limited by the reincrease of temperature after its initial decrease (temperature events). Low INC may thus be obtained for temperature events when the gravity wave perturbations produce a non-persistent cooling rate (even with large magnitude) such that the absolute change in temperature remains small during nucleation. This result for temperature events is explained analytically by a dependence of the INC on the absolute drop in temperature (and not on the cooling rate). This

  12. The Ice Nucleation Ability of Selected Atmospherically Abundant Fungal Spores

    NASA Astrophysics Data System (ADS)

    Iannone, R.; Chernoff, D. I.; Bertram, A. K.

    2010-12-01

    Ice clouds are widely recognized for their roles in the earth’s radiation budget and climate systems. However, their formation mechanisms are poorly understood thus constituting an uncertainty in the evaluation of the global radiation budget. An important mechanism of ice cloud formation is heterogeneous nucleation on aerosol particles. The surface properties of these particles, called ice nuclei (IN), directly affect the temperature at which ice nucleation occurs. There is a growing emphasis on the study of bioaerosols (e.g., bacteria, fungi, pollen) as IN since they are ubiquitous in the atmosphere. The focus of the current study is to determine the ice nucleation properties of spores obtained from a variety of fungi. Aerosolized spores were impacted onto a hydrophobic glass substrate and immersed in ultrapure water. A technique involving an optical light microscope coupled to a flow cell was used to precisely control temperature and humidity within the cell. A digital camera captured high-resolution video of the particles undergoing ice nucleation, allowing for the analyses of freezing events and particle sizes. The first experimental results using spores obtained from the fungal genera Cladosporium and Penicillium reveal an average temperature increase of ~1-5 K in the ice nucleation temperature compared to homogeneous nucleation (i.e., freezing of pure liquid water). Furthermore, there appears to be a relationship between the amount of spores present per droplet and the freezing temperature of water. These results are presented and discussed, and the potential contribution of these data to further the understanding of heterogeneous nucleation in the atmosphere is provided. Box plot summarizing freezing data for homogeneous nucleation experiments (leftmost box) and binned data from heterogeneous nucleation experiments involving spores of Cladosporium. Freezing data are distributed into 200 µm2 bins that represent the total area of all observable inclusions

  13. Heterogeneous nucleation of ice on model carbon surfaces

    NASA Astrophysics Data System (ADS)

    Molinero, V.; Lupi, L.; Hudait, A.

    2014-12-01

    Carbonaceous particles account for 10% of the particulate matter in the atmosphere. The experimental investigation of heterogeneous freezing of water droplets by carbonaceous particles reveals widespread ice freezing temperatures. The origin of the soot and its oxidation and aging modulate its ice nucleation ability, however, it is not known which structural and chemical characteristics of soot account for the variability in ice nucleation efficiency. We find that atomically flat carbon surfaces promote heterogeneous nucleation of ice, while molecularly rough surfaces with the same hydrophobicity do not. We investigate a large set of graphitic surfaces of various dimensions and radii of curvature consistent with those of soot in experiments, and find that variations in nanostructures alone could account for the spread in the freezing temperatures of ice on soot in experiments. A characterization of the nanostructure of soot is needed to predict its ice nucleation efficiency. Atmospheric oxidation and aging of soot modulates its ice nucleation ability. It has been suggested that an increase in the ice nucleation ability of aged soot results from an increase in the hydrophilicity of the surfaces upon oxidation. Oxidation, however, also impacts the nanostructure of soot, making it difficult to assess the separate effects of soot nanostructure and hydrophilicity in experiments. We investigate the effect of changes in hydrophilicity of model graphitic surfaces on the freezing temperature of ice. Our results indicate that the hydrophilicity of the surface is not in general a good predictor of ice nucleation ability. We find a correlation between the ability of a surface to promote nucleation of ice and the layering of liquid water at the surface. The results of this work suggest that ordering of liquid water in contact with the surface plays an important role in the heterogeneous ice nucleation mechanism. References: L. Lupi, A. Hudait and V. Molinero, J. Am. Chem. Soc

  14. Preliminary wall heat transfer measurements and visualization of bubble growth and departure: Saturated nucleate boiling of FC-72

    SciTech Connect

    Bae, S.W.; Kim, J.; Mullen, J.D.; Kim, M.H.

    1999-07-01

    A visualization study of single bubbles growing on a microscale heater array kept at nominally constant temperature was performed. The heater array consisted of 96 heaters each 0.27 mm x 0.27 mm in size. The heater temperatures were kept constant using electronic feedback loops similar to those used in hot-wire anemometry and the power required to do this was measured throughout the bubble departure cycle for each heater in the array. Preliminary data taken at a wall superheat of 29 C resulted in boiling in the isolated bubble regime on the surface. A snapshot of boiling on the surface is seen in Figure A-1. Three types of bubble behavior were observed. The bubbles nucleating in the upper left and lower left corners of the array did not appear to be influenced by bubbles that had departed previously, nor by other bubbles on the heater (Type I behavior). The bubbles nucleating from the single site towards the center of the array were influenced by the wake of the bubble that had departed previously (Type II behavior). The bubbles nucleating in the upper and lower right corners nucleated and grew on separate sites, then merged to form a single large bubble that departed the surface (Type III behavior). Large amounts of heat transfer were associated with three processes during the bubble departure cycle-bubble nucleation, shrinking of the dry spot before departure, and merging of bubbles. The heat transfer mechanisms seen are often not accounted for in many of the current models.

  15. Heterogeneous Nucleation of Dicalcium Phosphate Dihydrate on Modified Silica Surfaces.

    PubMed

    Miller, Carrie; Komunjer, Ljepša; Hlady, Vladimir

    2010-01-01

    Heterogeneous nucleation of dicalcium phosphate dihydrate, CaHPO4•2H2O (DCPD) was studied on untreated planar fused silica and on three modified silica surfaces: octadecylsilyl (OTS) modified silica, human serum albumin treated OTS silica, and UV-oxidized 3-mercaptopropyltriethoxysilyl (MTS) modified silica. The supersaturation ratio of calcium and phosphate solution with respect to DCPD was kept below ~10. The nucleated crystals were observed 24 hours and one week after initial contact between supersaturated solutions and substrate surfaces using bright field and reflectance interference contrast microscopy. No DCPD crystals nucleated on albumin-treated OTS-silica. Majority of the DCDP crystals formed on the other modified silica surfaces appeared to be morphologically similar irrespective of the nature of nucleating substrate. Reflectance interference contrast microscopy provided a proof that the majority of the crystals on these substrates do not develop an extended contact with the substrate surface. The images showed that the most extended contact planes were between the DCPD crystals and MTS modified silica surface. The crystals nucleated on OTS-treated and untreated silica surfaces showed only few or none well-developed contact planes.

  16. Nucleation Catalysis in Aluminum Alloy A356 Using Nanoscale Inoculants

    NASA Astrophysics Data System (ADS)

    de Cicco, Michael P.; Turng, Lih-Sheng; Li, Xiaochun; Perepezko, John H.

    2011-08-01

    Different types of nanoparticles in aluminum (Al) alloy A356 nanocomposites were shown to catalyze nucleation of the primary Al phase. Nanoparticles of SiC β, TiC, Al2O3 α, and Al2O3 γ were added to and dispersed in the A356 matrix as nucleation catalysts using an ultrasonic mixing technique. Using the droplet emulsion technique (DET), undercoolings in the nanocomposites were shown to be significantly reduced compared to the reference A356. None of the nanocomposites had a population of highly undercooled droplets that were observed in the reference samples. Also, with the exception of the A356/Al2O3 α nanocomposite, all nanocomposites showed a reduction in undercooling necessary for the onset of primary Al nucleation. The observed nanocomposite undercoolings generally agreed with the undercooling necessary for free growth. The atomic structure of the particles showed an influence on nucleation potency as A356/Al2O3 γ nanocomposites had smaller undercoolings than A356/Al2O3 α nanocomposites. The nucleation catalysis illustrates the feasibility of, and basis for, grain refinement in metal matrix nanocomposites (MMNCs).

  17. The Contribution of Constitutional Supercooling to Nucleation and Grain Formation

    NASA Astrophysics Data System (ADS)

    StJohn, D. H.; Prasad, A.; Easton, M. A.; Qian, M.

    2015-11-01

    The concept of constitutional supercooling (CS) including the term itself was first described and discussed qualitatively by Rutter and Chalmers in order to understand the formation of cellular structures during the solidification of tin, and then quantified by Tiller et al. On that basis, Winegard and Chalmers further considered `supercooling and dendritic freezing of alloys' where they described how CS promotes the heterogeneous nucleation of new crystals and the formation of an equiaxed zone. Since then the importance of CS in promoting the formation of equiaxed microstructures in both grain refined and unrefined alloys has been clearly revealed and quantified. This paper describes our current understanding of the role of CS in promoting nucleation and grain formation. It also highlights that CS, on the one hand, develops a nucleation-free zone surrounding each nucleated and growing grain and, on the other hand, protects this grain from readily remelting when temperature fluctuations occur due to convection. Further, due to the importance of the diffusion field that generates CS, recent analytical models are evaluated and compared with a numerical model. A comprehensive description of the mechanisms affecting nucleation and grain formation and the prediction of grain size is presented with reference to the influence of the casting conditions applied during the practical casting of an alloy.

  18. Nucleation at surfaces: the importance of interfacial energy.

    PubMed

    Wu, W; Gerard, D E; Nancollas, G H

    1999-11-01

    The nucleation and growth of stone-forming minerals on the surfaces of other crystalline phases, cellular material, and immobilized macromolecules must be important in the formation of stones in the urinary tract. The nucleation and growth of calcium oxalate monohydrate (COM) crystals were studied using the constant composition kinetics technique, in solution supersaturated with respect to COM (sigmaCOM = 1.44). The solid phases during the reaction were examined by x-ray diffraction, scanning electron microscopy, and diffuse reflectance Fourier transform infrared spectroscopy. Human serum albumin was found to nucleate COM crystals when immobilized on hydroxyapatite (HAP) surfaces. The induction period for nucleation of COM on HAP surfaces preadsorbed with albumin significantly decreased to about 65 min from about 230 min for pure HAP particles. The initial growth rate of COM on pure HAP particles, Rm approximately/= 0.56 X 10(-7) mol/min per m2, was slower than that for HAP surfaces preadsorbed with albumin, 2.14 x 10(-7) mol/min per m2. The surface properties were characterized using contact angle measurements by sessile drop and thin layer wicking. The thermodynamic results suggested that surfaces with high Lewis base parameter values (gamma-) and low interfacial tension with water (gammaSL) are more effective in the nucleation and growth of crystal phases.

  19. Nucleation and solidification in static arrays of monodisperse drops.

    PubMed

    Edd, Jon F; Humphry, Katherine J; Irimia, Daniel; Weitz, David A; Toner, Mehmet

    2009-07-07

    The precise measurement of nucleation and non-equilibrium solidification are vital to fields as diverse as atmospheric science, food processing, cryopreservation and metallurgy. The emulsion technique, where the phase under study is partitioned into many droplets suspended within an immiscible continuous phase, is a powerful method for uncovering rates of nucleation and dynamics of phase changes as it isolates nucleation events to single droplets. However, averaging the behavior of many drops in a bulk emulsion leads to the loss of any drop-specific information, and drop polydispersity clouds the analysis. Here we adapt a microfluidic technique for trapping monodisperse drops in planar arrays to characterize solidification of highly supercooled aqueous solutions of glycerol. This system measured rates of nucleation between 10(-5) and 10(-2) pL(-1) s(-1), yielded an ice-water interfacial energy of 33.4 mJ m(-2) between -38 and -35 degrees C, and enabled the specific dynamics of solidification to be observed for over a hundred drops in parallel without any loss of specificity. In addition to the physical insights gained, the ability to observe the time and temperature of nucleation and subsequent growth of the solid phase in static arrays of uniform drops provides a powerful tool to discover thermodynamic protocols that generate desirable crystal structures.

  20. Comparison of parameterizations for homogeneous and heterogeneous ice nucleation

    NASA Astrophysics Data System (ADS)

    Koop, T.; Zobrist, B.

    2009-04-01

    The formation of ice particles from liquid aqueous aerosols is of central importance for the physics and chemistry of high altitude clouds. In this paper, we present new laboratory data on ice nucleation and compare them with two different parameterizations for homogeneous as well as heterogeneous ice nucleation. In particular, we discuss and evaluate the effect of solutes and ice nuclei. One parameterization is the λ-approach which correlates the depression of the freezing temperature of aqueous droplets in comparison to pure water droplets, Tf, with the corresponding depression, Tm, of the equilibrium ice melting point: Tf = λ × Tm. Here, λ is independent of concentration and a constant that is specific for a particular solute or solute/ice nucleus combination. The other approach is water-activity-based ice nucleation theory which describes the effects of solutes on the freezing temperature Tf via their effect on water activity: aw(Tf) = awi(Tf) + aw. Here, awi is the water activity of ice and aw is a constant that depends on the ice nucleus but is independent of the type of solute. We present new data on both homogeneous and heterogeneous ice nucleation with varying types of solutes and ice nuclei. We evaluate and discuss the advantages and limitations of the two approaches for the prediction of ice nucleation in laboratory experiments and atmospheric cloud models.

  1. Nucleate boiling in drag-reducing polymer solutions

    SciTech Connect

    Jeun, G.

    1986-01-01

    Two types of experiment have been done to study the effects of polymer additives in nucleate boiling for plates and wires. Here, boiling on a flat surface is simulated by placing a flat unheated surface immediately underneath an electrically heated platinum wire. Saturated nucleate pool boiling curves were measured for water and solutions of six different polymers at various concentrations. For a bare wire and a simulated flat surface, the nucleate boiling curves are qualitatively similar. For equal heat fluxes, the temperature difference increases as the relative viscosity increases, although the temperature difference for the simulated flat surface is less than that for the bare wire. The observed changes in the nucleate boiling curves for polymer solutions are in qualitative agreement with those predicted using the Rohsenow correlation to account for change in the solution viscosity. These results show that for both wires and simulated flat surfaces, drag-reducing additives will reduce the heat transfer rate in nucleate boiling. Bubble dynamics on the heated wire and simulated flat surface were also measured using a high speed movie camera for water and Separan AP-30 at a relative viscosity of 1.16. The data were used to determine the relative contribution to the boiling heat flux of latent heat transport by bubbles, natural convection heat transfer, and enhanced convection heat transfer.

  2. Self Nucleation and Crystallization of Poly(vinyl alcohol)

    NASA Astrophysics Data System (ADS)

    Thomas, David; Cebe, Peggy

    Polyvinyl alcohol (PVA) is a hydrophilic, biodegradable, semi-crystalline polymer with uses ranging from textiles to medicine. Film samples of PVA were investigated to assess crystallization and melting behavior during self-nucleation experiments, and thermal degradation, using differential scanning calorimetry (DSC) and thermogravimetric (TG) analysis, respectively. TG results show that degradation occurred at temperatures close to the observed peak melting temperature of 223 C. Using conventional DSC, PVA was heated at a rate of 10 C/min to various self-nucleation temperatures, Ts, within its melting range, briefly annealed, cooled and reheated. Three distinct crystallization regimes were observed upon cooling, depending upon self nucleation temperature. At low values of Ts, below 227 C, PVA only partially melts; residual crystal anneals while new, less perfect crystals form during cooling. Between 228 C and 234 C, PVA was found to crystallize exclusively by self-nucleation. For Ts above 235 C the PVA melts completely. Fast scanning chip-based calorimetry was used to heat and cool at 2000 K/s, to prevent degradation. Results of self nucleation experiments using fast scanning and conventional DSC will be compared. NSF DMR-1206010.

  3. Urediospores of Puccinia spp. and other rusts are warm-temperature ice nucleators and harbor ice nucleation active bacteria

    NASA Astrophysics Data System (ADS)

    Morris, C. E.; Sands, D. C.; Glaux, C.; Samsatly, J.; Asaad, S.; Moukahel, A. R.; Gonçalves, F. L. T.; Bigg, E. K.

    2012-10-01

    In light of various features of the biology of the rust fungi and of the epidemiology of the plant diseases they cause that illustrate the important role of rainfall in their life history, we have characterized the ice nucleation activity (INA) of the aerially disseminated spores (urediospores) of this group of fungi. Urediospores of this obligate plant parasite were collected from natural infections from 7 species of weeds in France, from coffee in Brazil and from field and greenhouse-grown wheat in France, the USA, Turkey and Syria. Immersion freezing was used to determine freezing onset temperatures and the abundance of ice nuclei in suspensions of washed spores. Microbiological analyses of spores and subsequent tests of the ice nucleation activity of the bacteria associated with spores were deployed to quantify the contribution of bacteria to the ice nucleation activity of the spores. All samples of spores were ice nucleation active having freezing onset temperatures as warm as -4 °C. Spores in most of the samples carried cells of ice nucleation-active strains of the bacterium Pseudomonas syringae (at rates of less than 1 bacterial cell per 100 urediospores), but bacterial INA accounted for only a small fraction of the INA observed in spore suspensions. Changes in the INA of spore suspensions after treatment with lysozyme suggest that the INA of urediospores involves a polysaccharide. Based on data from the literature, we have estimated the concentrations of urediospores in air at cloud height and in rainfall. These quantities are very similar to those reported for other biological ice nucleators in these same substrates. We suggest that air sampling techniques have ignored the spatial and temporal variability of atmospheric concentrations that occur under conditions propitious for precipitation that could increase their local abundance intermittently. Nevertheless, we propose that the relative low abundance of warm-temperature biological ice nucleators in the

  4. Fluorescence Studies of Protein Crystal Nucleation

    NASA Technical Reports Server (NTRS)

    Pusey, Marc; Sumida, John

    2000-01-01

    -association process is a function of the protein concentration relative to the saturation concentration, and observing it in dilute solution (conc. less than or equal to 10(exp -5)M) requires that the experiments be performed under low solubility conditions, i.e., low temperatures and high salt concentrations. Data from preliminary steady state FRET studies with N-terminal bound pyrene acetic acid (PAA-lys, donor, Ex 340 nm, Em 376 nm) and asp101 LY-lys as an acceptor showed a consistent trend of decreasing donor fluorescence intensity with increasing total protein concentration. The FRET data have been obtained at pH 4.6, 0.1M NaAc buffer, at 5 and 7% NaCl, 4 C. The corresponding C(sub sat) values are 0.471 and 0.362 mg/ml (approx. 3.3 and approx. 2.5 x 10(exp -5)M respectively). The donor fluorescence decrease is more pronounced at7% NaCl, consistent with the expected increased intermolecular interactions at higher salt concentrations as reflected in the lower solubility. Results from these and other ongoing studies will be discussed in conjunction with an emerging model for how tetragonal lysozyme crystals nucleate and the relevance of that model to other proteins.

  5. Transient nucleation induction time from the birth-death equations

    NASA Technical Reports Server (NTRS)

    Shneidman, Vitaly A.; Weinberg, Michael C.

    1992-01-01

    For the set of finite-difference equations of Becker-Doering an exact formula for the induction time, which is expressed in terms of rapidly convergent sums, is presented. The form of the result is particularly amenable for analytical study, and the latter is carried out to obtain approximations of the exact expression in a rigorous manner and to assess its sensitivity to the choice of the nucleation model. The induction time is found to be governed by two main nucleation parameters, the normalized barrier height, and the number of molecules in the critical cluster. The ratio of these two parameters provides an assessment of the importance of discreteness effects. The exact expression is studied in both the continuous and the asymptotic limits. The accuracy of the Zeldovich equation, which is produced in the continuous limit, is discussed for several nucleation models.

  6. Crossover from nucleation to spinodal decomposition in a condensing vapor.

    PubMed

    Wedekind, Jan; Chkonia, Guram; Wölk, Judith; Strey, Reinhard; Reguera, David

    2009-09-21

    The mechanism controlling the initial step of a phase transition has a tremendous influence on the emerging phase. We study the crossover from a purely nucleation-controlled transition toward spinodal decomposition in a condensing Lennard-Jones vapor using molecular dynamics simulations. We analyze both the kinetics and at the same time the thermodynamics by directly reconstructing the free energy of cluster formation. We estimate the location of the spinodal, which lies at much deeper supersaturations than expected. Moreover, the nucleation barriers we find differ only by a constant from the classical nucleation theory predictions and are in very good agreement with semiempirical scaling relations. In the regime from very small barriers to the spinodal, growth controls the rate of the transition but not its nature because the activation barrier has not yet vanished. Finally, we discuss in detail the influence of the chosen reaction coordinate on the interpretation of such simulation results.

  7. Laser-nucleated acoustic cavitation in focused ultrasound.

    PubMed

    Gerold, Bjoern; Kotopoulis, Spiros; McDougall, Craig; McGloin, David; Postema, Michiel; Prentice, Paul

    2011-04-01

    Acoustic cavitation can occur in therapeutic applications of high-amplitude focused ultrasound. Studying acoustic cavitation has been challenging, because the onset of nucleation is unpredictable. We hypothesized that acoustic cavitation can be forced to occur at a specific location using a laser to nucleate a microcavity in a pre-established ultrasound field. In this paper we describe a scientific instrument that is dedicated to this outcome, combining a focused ultrasound transducer with a pulsed laser. We present high-speed photographic observations of laser-induced cavitation and laser-nucleated acoustic cavitation, at frame rates of 0.5×10(6) frames per second, from laser pulses of energy above and below the optical breakdown threshold, respectively. Acoustic recordings demonstrated inertial cavitation can be controllably introduced to the ultrasound focus. This technique will contribute to the understanding of cavitation evolution in focused ultrasound including for potential therapeutic applications.

  8. Nucleation and the spall strength of liquid metals

    NASA Astrophysics Data System (ADS)

    Lopanitsyna, N. Yu; Kuksin, A. Yu

    2016-11-01

    This article presents calculation of the nucleation rate for liquid metals (Al, Fe, Mo) based on molecular dynamic simulation for embedded atom method (EAM) potentials. The dependence of nucleation rate on pressure and temperature could be approximated accurately in the form of classical nucleation theory taking into account surface tension dependency on pore radius σ = σ0/(1 + 2δ/r), where σ—surface tension, δ—the Tolman length. Basing on the results of the calculations, we have developed a model allowing calculating the spall strength of liquid metals under tension using such parameters as surface tension, viscosity, which could be measured experimentally. The obtained results for Mo and Al are consistent with experimental data and direct MD calculations at strain rates approx. 1010-1011 s-1.

  9. Laser-nucleated acoustic cavitation in focused ultrasound

    NASA Astrophysics Data System (ADS)

    Gerold, Bjoern; Kotopoulis, Spiros; McDougall, Craig; McGloin, David; Postema, Michiel; Prentice, Paul

    2011-04-01

    Acoustic cavitation can occur in therapeutic applications of high-amplitude focused ultrasound. Studying acoustic cavitation has been challenging, because the onset of nucleation is unpredictable. We hypothesized that acoustic cavitation can be forced to occur at a specific location using a laser to nucleate a microcavity in a pre-established ultrasound field. In this paper we describe a scientific instrument that is dedicated to this outcome, combining a focused ultrasound transducer with a pulsed laser. We present high-speed photographic observations of laser-induced cavitation and laser-nucleated acoustic cavitation, at frame rates of 0.5×106 frames per second, from laser pulses of energy above and below the optical breakdown threshold, respectively. Acoustic recordings demonstrated inertial cavitation can be controllably introduced to the ultrasound focus. This technique will contribute to the understanding of cavitation evolution in focused ultrasound including for potential therapeutic applications.

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Nanocrystalline graphite films nucleation by the radio frequency bias pretreatment.

    PubMed

    Dvorkin, V V; Dzbanovsky, N N; Krivchenko, V A; Suetin, N V; Rakhimov, A T; Timofeyev, M A; Bespalov, A V; Golikova, O L

    2011-10-01

    New method for nucleation of different nanocrystalline carbon films upon monocrystalline Si substrate was proposed. The process is based on a combination of microwave and radio frequency plasma assisted chemical vapor deposition methods. Potential of the method for nucleation was demonstrated by deposition of nanocrystalline diamond film in pure microwave plasma in one process, immediately after "seeding" procedure. The method was also used for growth of nanocrystalline graphite (NCG) films, which are currently under intensive investigation due to their exceptional electronic properties, particularly fine electron emission characteristics. Deposited NCG films have demonstrated remarkable electron field emission properties having current density of up to 10 A/cm2. The films have also possessed good adhesion to silicon substrate. Carbon films and nucleation layer were characterized by scanning electron microscopy, transmission electron microscopy and Raman spectroscopy.

  12. Clustering of amines and hydrazines in atmospheric nucleation

    NASA Astrophysics Data System (ADS)

    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.

  13. Bubble nucleation and growth in open-cycle OTEC subsystems

    NASA Astrophysics Data System (ADS)

    Bugby, D. C.; Wassel, A. T.; Mills, A. F.

    1983-05-01

    Bubble nucleation and growth in the evaporator, condenser, upcomers, and feedwater distribution systems of open-cycle ocean thermal energy conversion (OTEC) power plants are examined. The phenomenon that will probably have the most impact on system design is cavitation in the warm water feed near the entrance of the evaporator. The critical bubble size for cavitation is about 105 microns. Sources of bubbles in the warm water feed are those entering from the ocean, those nucleating on suspended particles, and those nucleating on the upcomer wall. Analyses of bubble growth induced by changes in hydrostatic pressure, mass transfer, and coalescence are presented. Using available information for bubble size distribution in seawater at California locations, it is shown that cavitation will probably have a significant impact on evaporator performance unless a debubbler is provided upstream of the evaporator entrance.

  14. Nucleation and growth of polycrystalline SiC

    NASA Astrophysics Data System (ADS)

    Kaiser, M.; Schimmel, S.; Jokubavicius, V.; Linnarsson, M. K.; Ou, H.; Syväjärvi, M.; Wellmann, P.

    2014-03-01

    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 15R 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 pressure at 2250°C in diffusion limited mass transport regime generating a convex shaped growth form of the solid-gas interface leading to lateral expansion of virtually [001] oriented crystallites. Growth at 2350°C led to the stabilization of 6H polytypic grains. The micropipe density in the bulk strongly depends on the substrate used.

  15. Void nucleation and disentanglement in glassy amorphous polymers

    NASA Astrophysics Data System (ADS)

    Mahajan, Dhiraj K.; Singh, Bhupinder; Basu, Sumit

    2010-07-01

    Cavitation in glassy polymers is known to result from highly triaxial states of local stress and the presence of impurities. Understanding of cavitation, particularly void nucleation, is important as cavities are precursors to crazes, which in turn lead to fracture. In this work we study the early stages of void nucleation in glassy amorphous polymers by imposing, in well designed molecular dynamics simulations, highly triaxial states of stress on ensembles of entangled linear macromolecular chains and monitoring the evolution of the entanglement network. Our results demonstrate that deformation induced disentanglement and rearrangement of topological constraints along individual chains play an important role in the early stages of void nucleation. Even in the glassy state, deformation causes significant changes in the rheological constraints on a chain though the number of interchain binary contacts may not change much.

  16. Sub-surface alloying largely influences graphene nucleation and growth over transition metal substrates.

    PubMed

    Zhang, Liying; Zhao, Xingju; Xue, Xinlian; Shi, Jinlei; Li, Chong; Ren, Xiaoyan; Niu, Chunyao; Jia, Yu; Guo, Zhengxiao; Li, Shunfang

    2015-11-11

    Sub-surface alloying (SSA) can be an effective approach to tuning surface functionalities. Focusing on Rh(111) as a typical substrate for graphene nucleation, we show strong modulation by SSA atoms of both the energetics and kinetics of graphene nucleation simulated by first-principles calculations. Counter-intuitively, when the sub-surface atoms are replaced by more active solute metal elements to the left of Rh in the periodic table, such as the early transition metals (TMs), Ru and Tc, the binding between a C atom and the substrate is weakened and two C atoms favor dimerization. Alternatively, when the alloying elements are the late TMs to the right of Rh, such as the relatively inert Pd and Ag, the repulsion between the two C atoms is enhanced. Such distinct results can be well addressed by the delicately modulated activities of the surface host atoms in the framework of the d-band theory. More specifically, we establish a very simple selection rule for optimizing the metal substrate for high quality graphene growth: the introduction of an early (late) solute TM in the SSA lowers (raises) the d-band center and the activity of the top-most host metal atoms, weakening (strengthening) the C-substrate binding, meanwhile both energetically and kinetically facilitating (hindering) the graphene nucleation, and simultaneously promoting (suppressing) the orientation disordering the graphene domains. Importantly, our preliminary theoretical results also show that such a simple rule is also proposed to be operative for graphene growth on the widely invoked Cu(111) catalytic substrate.

  17. The Leipzig Ice Nucleation chamber Comparison (LINC): An overview of ice nucleation measurements observed with four on-line ice nucleation devices

    NASA Astrophysics Data System (ADS)

    Kohn, Monika; Wex, Heike; Grawe, Sarah; Hartmann, Susan; Hellner, Lisa; Herenz, Paul; Welti, André; Stratmann, Frank; Lohmann, Ulrike; Kanji, Zamin A.

    2016-04-01

    Mixed-phase clouds (MPCs) are found to be the most relevant cloud type leading to precipitation in mid-latitudes. The formation of ice crystals in MPCs is not completely understood. To estimate the effect of aerosol particles on the radiative properties of clouds and to describe ice nucleation in models, the specific properties of aerosol particles acting as ice nucleating particles (INPs) still need to be identified. A number of devices are able to measure INPs in the lab and in the field. However, methods can be very different and need to be tested under controlled conditions with respect to aerosol generation and properties in order to standardize measurement and data analysis approaches for subsequent ambient measurements. Here, we present an overview of the LINC campaign hosted at TROPOS in September 2015. We compare four ice nucleation devices: PINC (Portable Ice Nucleation Chamber, Chou et al., 2011) and SPIN (SPectrometer for Ice Nuclei) are operated in deposition nucleation and condensation freezing mode. LACIS (Leipzig Aerosol Cloud Interaction Simulator, Hartmann et al., 2011) and PIMCA (Portable Immersion Mode Cooling chamber) measure in the immersion freezing mode. PIMCA is used as a vertical extension to PINC and allows activation and droplet growth prior to exposure to the investigated ice nucleation temperature. Size-resolved measurements of multiple aerosol types were performed including pure mineral dust (K-feldspar, kaolinite) and biological particles (Birch pollen washing waters) as well as some of them after treatment with sulfuric or nitric acid prior to experiments. LACIS and PIMCA-PINC operated in the immersion freezing mode showed very good agreement in the measured frozen fraction (FF). For the comparison between PINC and SPIN, which were scanning relative humidity from below to above water vapor saturation, an agreement was found for the obtained INP concentration. However, some differences were observed, which may result from ice

  18. International Workshop on Comparing Ice Nucleation Measuring Systems 2014

    SciTech Connect

    Cziczo, Daniel

    2016-04-30

    The relationship of ambient aerosol particles to the formation of ice-containing clouds is one of the largest uncertainties in understanding the Earth’s climate. The uncertainty is due to several poorly understood processes and measurements including, but not limited to: (1) the microphysics of how particles nucleate ice, (2) the number of ice forming particles as a function of atmospheric properties such as temperature and relative humidity, (3) the atmospheric distribution of ice forming particles and (4) the role of anthropogenic activities in producing or changing the behavior of ice forming particles. The ways in which ice forming particles can impact climate is also multi-faceted. More ice forming particles can lead to clouds with more ice crystals and different optical properties than clouds with less ice forming particles. More effective ice forming particles can lead to ice at higher temperature and/or lower saturation, resulting in clouds at lower altitude or latitude which also changes the Earth’s radiative balance. Ice nucleation also initiates most of the Earth’s precipitation, even in the mid- and low-latitudes, since cloud-top temperatures are often below freezing. The limited measurements and lack of understanding directly translates to restrictions in our ability to model atmospheric ice formation and project changes into the future. The importance of ice nucleation research is further exemplified by Figure 1 which shows the publications per decade and citations per year on the topic of ice nucleation [DeMott et al., 2011]. After a lull at the end of the last century, there has been a dramatic increase in both publications and citations related to ice nucleation; this directly corresponds to the importance of ice nucleation on the Earth’s climate and the uncertainty in this area noted by the Solomon [2007].

  19. Nucleation processes occurring during dynamic recrystallization in ice

    NASA Astrophysics Data System (ADS)

    Chauve, T.; Montagnat, M.; Barou, F.; Hidas, K.; Tommasi, A.; Mainprice, D.; Piazolo, S.; Wheeler, J.

    2015-12-01

    The understanding of ice deformation mechanisms is a key point for ice flow modeling and interpretation of climatic signal extracted from ice cores. During deformation inside an ice sheet, recrystallization processes will impact texture and viscosity of ice. Recrystallization processes in ice are very similar to the ones observed in metals and rocks. Along ice cores, Continous (rotation) Dynamic Recrystallization (CDRX) and Discontinuous (migration) Dynamic Recrystallization (DDRX) occur, le later being observed mainly in the deeper part, where temperature and deviatoric stress are higher. The role of nucleation and grain boundary migration associated with DRX on texture development are still badly constrained. In this study, we associated ice creep experiments and high resolution EBSD observations (Electronic Microscopy) to better understand nucleation processes occurring during DRX. Ice is an hexagonal material in which deformation mainly occurs by dislocation glide along the basal plane conferring a strong viscoplastic anisotropy to the single crystal. Hence, during polycrystalline ice deformation the incompatibilty between grains lead to highly heterogeneous strain-field. DRX mechanisms arrise from these strong heterogeneities and induce a new microstructure and texture that relaxe the incompatibilites. The high resolution EBSD observations shown in this study are performed on selected samples of laboratory made polycrystalline columnar ice deformed until 3% macro strain (T=-7°C and σ=0.5 MPa). The analyse show that various kind of nucleation occur under these conditions such as polygonization (tilt bands, kink bands), bulge nucleation by SIGBM (strain Induced Grain Boundary Migration), and nucleation of grains with no obvious relationship with surrounding grains. All these nucleation processes are discussed regarding the associated dislocation fields using the Weigthed Burgers Vector analysis. These analyses highlight the strong heterogeneity of these fields

  20. HOUSEHOLD NUCLEATION, DEPENDENCY AND CHILD HEALTH OUTCOMES IN GHANA.

    PubMed

    Annim, Samuel Kobina; Awusabo-Asare, Kofi; Amo-Adjei, Joshua

    2015-09-01

    This study uses three key anthropometric measures of nutritional status among children (stunting, wasting and underweight) to explore the dual effects of household composition and dependency on nutritional outcomes of under-five children in Ghana. The objective is to examine changes in household living arrangements of under-five children to explore the interaction of dependency and nucleation on child health outcomes. The concept of nucleation refers to the changing structure and composition of household living arrangements, from highly extended with its associated socioeconomic system of production and reproduction, social behaviour and values, towards single-family households - especially the nuclear family, containing a husband and wife and their children alone. A negative relationship between levels of dependency, as measured by the number of children in the household, and child health outcomes is premised on the grounds that high dependency depletes resources, both tangible and intangible, to the disadvantage of young children. Data were drawn from the last four rounds of the Ghana Demographic and Health Surveys (GDHSs), from 1993 to 2008, for the first objective - to explore changes in household composition. For the second objective, the study used data from the 2008 GDHS. The results show that, over time, households in Ghana have been changing towards nucleation. The main finding is that in households with the same number of dependent children, in nucleated households children under age 5 have better health outcomes compared with children under age 5 in non-nucleated households. The results also indicate that the effect of dependency on child health outcomes is mediated by household nucleation and wealth status and that, as such, high levels of dependency do not necessarily translate into negative health outcomes for children under age 5, based on anthropometric measures.

  1. Homogeneous ice nucleation at moderate supercooling from molecular simulation.

    PubMed

    Sanz, E; Vega, C; Espinosa, J R; Caballero-Bernal, R; Abascal, J L F; Valeriani, C

    2013-10-09

    Among all of the freezing transitions, that of water into ice is probably the most relevant to biology, physics, geology, or atmospheric science. In this work, we investigate homogeneous ice nucleation by means of computer simulations. We evaluate the size of the critical cluster and the nucleation rate for temperatures ranging between 15 and 35 K below melting. We use the TIP4P/2005 and the TIP4P/ice water models. Both give similar results when compared at the same temperature difference with the model's melting temperature. The size of the critical cluster varies from ∼8000 molecules (radius = 4 nm) at 15 K below melting to ∼600 molecules (radius = 1.7 nm) at 35 K below melting. We use Classical Nucleation Theory (CNT) to estimate the ice-water interfacial free energy and the nucleation free-energy barrier. We obtain an interfacial free energy of 29(3) mN/m from an extrapolation of our results to the melting temperature. This value is in good agreement both with experimental measurements and with previous estimates from computer simulations of TIP4P-like models. Moreover, we obtain estimates of the nucleation rate from simulations of the critical cluster at the barrier top. The values we get for both models agree within statistical error with experimental measurements. At temperatures higher than 20 K below melting, we get nucleation rates slower than the appearance of a critical cluster in all water of the hydrosphere during the age of the universe. Therefore, our simulations predict that water freezing above this temperature must necessarily be heterogeneous.

  2. Transgranular Crack Nucleation in Carrara Marble of Brittle Failure

    NASA Astrophysics Data System (ADS)

    Cheng, Yi; Wong, Louis Ngai Yuen; Maruvanchery, Varun

    2016-08-01

    Understanding the microcrack nucleation is of a fundamental importance in the study of rock fracturing process. Due to variations in texture and mineralogy, different rocks may show different distinctive microcrack nucleation mechanisms. In order to understand the microcrack nucleation mechanisms in Carrara marble comprehensively, localized damage zones are artificially produced by loading specimens containing an array of en-echelon flaws in this study. Then, representative samples were cut from those loaded specimens and prepared for optical observation. Four types of microcrack nucleation mechanisms leading to the formation of transgranular cracks have been identified in Carrara marble. Type I and II mechanisms are favored by the distinctive polygonal shape of the crystal grains in Carrara marble. Local tensile stress concentration in these two mechanisms is attributed to grain sliding and divergent normal contact force, respectively. Type III mechanism is associated with the gliding along twin lamellae. The resultant tensile stress concentration could nucleate microcracks within the grain containing these lamellae or in the grain boundary. No microcracks in the adjoining grains were observed in this study. Our statistical analysis suggests that type III mechanism favors the nucleation of new cracks which are nearly perpendicular to the gently inclined twin lamellae and thus have a small angle with the maximum loading direction (about 15°). Type IV mechanism operates in grains failed mainly due to compressive stress rather than tensile stress concentration. Sets of parallel microcracks of this mechanism seem to be related to the crystallographic planes of calcite. The microcracking results also suggest that most of the grain boundaries in damaged zone have been cracked at the loading about 80 % of the specimen strength, while transgranular cracks begin to occur at that time and flourish after about 90 % loading of the strength.

  3. Direct Observations of Nucleation in a Nondilute Multicomponent Alloy

    NASA Technical Reports Server (NTRS)

    Sudbrack, Chantal K.; Noebe, Ronald D.; Seidman, David N.

    2006-01-01

    The chemical pathways leading to gamma'(L1(sub 2)) nucleation from nondilute Ni-5.2 Al-14.2 Cr at. %, gama(fcc), at 873 K are followed with radial distribution functions and isoconcentration surface analyses of direct-space atom-probe tomographic images. Although Cr atoms initially are randomly distributed, a distribution of congruent Ni3Al short-range-order domains (SRO), [R] approx. equals 0.6 nm, results from Al diffusion during quenching. Domain site occupancy develops as their number density increases leading to Al-rich phase separation by gamma'-nucleation, [R]=0.75 nm, after SRO occurs.

  4. Molecular dynamics simulations of ice nucleation by electric fields.

    PubMed

    Yan, J Y; Patey, G N

    2012-07-05

    Molecular dynamics simulations are used to investigate heterogeneous ice nucleation in model systems where an electric field acts on water molecules within 10-20 Å of a surface. Two different water models (the six-site and TIP4P/Ice models) are considered, and in both cases, it is shown that a surface field can serve as a very effective ice nucleation catalyst in supercooled water. Ice with a ferroelectric cubic structure nucleates near the surface, and dipole disordered cubic ice grows outward from the surface layer. We examine the influences of temperature and two important field parameters, the field strength and distance from the surface over which it acts, on the ice nucleation process. For the six-site model, the highest temperature where we observe field-induced ice nucleation is 280 K, and for TIP4P/Ice 270 K (note that the estimated normal freezing points of the six-site and TIP4P/Ice models are ∼289 and ∼270 K, respectively). The minimum electric field strength required to nucleate ice depends a little on how far the field extends from the surface. If it extends 20 Å, then a field strength of 1.5 × 10(9) V/m is effective for both models. If the field extent is 10 Å, then stronger fields are required (2.5 × 10(9) V/m for TIP4P/Ice and 3.5 × 10(9) V/m for the six-site model). Our results demonstrate that fields of realistic strength, that act only over a narrow surface region, can effectively nucleate ice at temperatures not far below the freezing point. This further supports the possibility that local electric fields can be a significant factor influencing heterogeneous ice nucleation in physical situations. We would expect this to be especially relevant for ice nuclei with very rough surfaces where one would expect local fields of varying strength and direction.

  5. New Findings on Ice Nucleation in Mid-latitude Cirrus

    NASA Astrophysics Data System (ADS)

    Mishra, S.; Mitchell, D. L.; Lawson, P.; Baker, B. A.

    2011-12-01

    Recent GCM simulations (CESM1) show a global aerosol indirect effect of -1.39 W m-2 with -2.02 W m-2 from shortwave and +0.63 W m-2 from longwave cloud forcing, the longwave being due to homogeneous nucleation of ice crystals. However, the extent of homogeneous nucleation in ice clouds is poorly understood. This study uses results from a recent field campaign, SPARTICUS (Small PARTicles In CirrUS), to evaluate the impact of homogeneous nucleation on the ice particle size distribution (PSD) shape, as well as ice particle concentration, shape, PSD effective size and fall speed. While earlier measurements were difficult to evaluate for ice nucleation effects due to the problem of ice particle shattering, recent in-situ measurements using the 2 dimensional-stereo (2D-S) probe have greatly reduced this problem resulting in provocative findings for both synoptic and anvil cirrus sampled during SPARTICUS. For mid-latitude synoptic and anvil cirrus around -40°C, these new measurements show that clear changes in the ice PSD and its properties occur regarding (1) PSD shape, (2) total number concentration-to-ice water content ratio (N/IWC), (3) PSD mean size, (4) PSD mean area ratio and (5) the mass-weighted fall velocity (Vm). These changes are consistent with a change in ice nucleation mechanism, with heterogeneous nucleation processes active at temperatures warmer than -40°C and homogeneous freezing nucleation at temperatures colder than -40°C. The change in Vm implies that cirrus colder than -40°C will have longer lifetimes and greater cloud coverage than warmer cirrus clouds, all other relevant factors remaining equal. The increase in N/IWC with colder temperatures (T < -40°C) appears consistent with homogeneous nucleation theory. Figure 1 shows normalized frequency distribution of PSD area ratios for temperatures above and below -40°C. Area ratios (ice particle projected area/area of circle defined by particle maximum dimension) are a measure of ice particle shape

  6. Experimental Investigation of the Role of Ions in Aerosol Nucleation

    NASA Astrophysics Data System (ADS)

    Pedersen, J. P.; Enghoff, M. B.; Bondo, T.; Johnson, M. S.; Paling, S.; Svensmark, H.

    2008-12-01

    The role of ions in producing aerosols in Earth's atmosphere is an area of very active research. Atmospheric (Clarke et al. 1998) and experimental (Berndt et al. 2005) 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 (Bricard et al. 1968). Recent experimental work (Svensmark et al. 2007) demonstrated that ions, produced by cosmic rays in the atmosphere, are likely to play an important role in the production of new aerosol particles. The mechanism whereby energetic cosmic rays can promote the production of cloud condensation nuclei at low altitudes constitutes a link between cosmic rays and Earth's climate and there is thus a need to corroborate the results in a different experiment. The present results are obtained in the same laboratory, but using a new setup The experiments were conducted in a 50 L cylindrical reaction chamber made of electropolished stainless steel. Aerosols 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 and the analysis revealed that Ion Induced Nucleation is the most likely mechanism for the observed nucleation increases and thus confirm the previous results. Berndt, T, Böge, O., Stratmann, F., Heintzenberg, J. & Kulmala, M. (2005), Science, 307, 698--700 Bricard, J., Billard, F. & Madelaine, G. (1968), J. Geophys. Res. 73, 4487--4496 Clarke, A.D., Davis, D., Kapustin, V. N. Eisele, F. Chen, G. Paluch

  7. Dimerization of polycyclic aromatic hydrocarbons in soot nucleation.

    PubMed

    Zhang, Hong-Bo; You, Xiaoqing; Wang, Hongmiao; Law, Chung K

    2014-02-27

    A possible pathway of soot nucleation, in which localized π electrons play an important role in binding the polycyclic aromatic hydrocarbon (PAH) molecules having multiradical characteristics to form stable polymer molecules through covalent bonds, is studied using density functional and semiempirical methods. Results show that the number of covalent bonds formed in the dimerization of two identical PAHs is determined by the radical character, and the sites to form bonds are related to the aromaticity of individual six-membered ring structure. It is further shown that the binding energy of dimerization increases linearly with the diradical character in the range relevant to soot nucleation.

  8. Surface Nucleation in the Freezing of Gold Nanoparticles

    NASA Astrophysics Data System (ADS)

    Mendez-Villuendas, Eduardo; Bowles, Richard K.

    2007-05-01

    We use molecular simulation to calculate the nucleation free energy barrier for the freezing of a 456 atom gold cluster over a range of temperatures. The results show that the embryo of the solid cluster grows at the vapor-surface interface for all temperatures studied and that the usual classical nucleation model, with the embryo growing in the core of the cluster, is unable to predict the shape of the free energy barrier. We use a simple partial wetting model that treats the crystal as a lens-shaped nucleus at the liquid-vapor interface and find that the line tension plays an important role in the freezing of gold nanoparticles.

  9. Interpretation of DTA experiments used for crystal nucleation rate determinations

    NASA Technical Reports Server (NTRS)

    Weinberg, Michael C.

    1991-01-01

    An analysis is presented of two schemes which have been proposed for the determination of the temperature dependence of homogeneous crystal nucleation rates in glasses via DTA measurements. The first method is based upon the postulate that the inverse of the temperature at which the DTA crystallization rate is maximum, will increase monotonically as the number density of nucleated particles increases. The secone method is based on the observation that the intensity at T(p) (peak height) increases as T(p) grows. The validity of both of these methods is assessed for inorganic glasses for two specific crystal growth models.

  10. Characterization of Diamond Film Nucleation and Growth Surface

    DTIC Science & Technology

    1993-09-01

    eV electron volt(1.602 x 10൛ Joules) VB Bias Voltage A Amperes nA nanoamperes (10-9 Amperes) C carbon Si silicon SiC silicon carbide Ge germanium Cu...surfaces including silicon [8-10] and germanium [11-13]. Wide band gap semiconductors have been examined less, but examples of STS applied to SiC [14,15...nucleated on germanium and copper. Most of the research examining the nucleation and growth of diamond on non-diamond substrates has employed silicon as

  11. Cell-cycle dependent phosphorylation of yeast pericentrin regulates γ-TuSC-mediated microtubule nucleation

    PubMed Central

    Lin, Tien-chen; Neuner, Annett; Schlosser, Yvonne T; Scharf, Annette ND; Weber, Lisa; Schiebel, Elmar

    2014-01-01

    Budding yeast Spc110, a member of γ-tubulin complex receptor family (γ-TuCR), recruits γ-tubulin complexes to microtubule (MT) organizing centers (MTOCs). Biochemical studies suggest that Spc110 facilitates higher-order γ-tubulin complex assembly (Kollman et al., 2010). Nevertheless the molecular basis for this activity and the regulation are unclear. Here we show that Spc110 phosphorylated by Mps1 and Cdk1 activates γ-TuSC oligomerization and MT nucleation in a cell cycle dependent manner. Interaction between the N-terminus of the γ-TuSC subunit Spc98 and Spc110 is important for this activity. Besides the conserved CM1 motif in γ-TuCRs (Sawin et al., 2004), a second motif that we named Spc110/Pcp1 motif (SPM) is also important for MT nucleation. The activating Mps1 and Cdk1 sites lie between SPM and CM1 motifs. Most organisms have both SPM-CM1 (Spc110/Pcp1/PCNT) and CM1-only (Spc72/Mto1/Cnn/CDK5RAP2/myomegalin) types of γ-TuCRs. The two types of γ-TuCRs contain distinct but conserved C-terminal MTOC targeting domains. DOI: http://dx.doi.org/10.7554/eLife.02208.001 PMID:24842996

  12. Rayleigh Scattering Density Measurements, Cluster Theory, and Nucleation Calculations at Mach 10

    NASA Technical Reports Server (NTRS)

    Balla, R. Jeffrey; Everhart, Joel L.

    2012-01-01

    In an exploratory investigation, quantitative unclustered laser Rayleigh scattering measurements of density were performed in the air in the NASA Langley Research Center's 31 in. Mach 10 wind tunnel. A review of 20 previous years of data in supersonic and Mach 6 hypersonic flows is presented where clustered signals typically overwhelmed molecular signals. A review of nucleation theory and accompanying nucleation calculations are also provided to interpret the current observed lack of clustering. Data were acquired at a fixed stagnation temperature near 990Kat five stagnation pressures spanning 2.41 to 10.0 MPa (350 to 1454 psi) using a pulsed argon fluoride excimer laser and double-intensified charge-coupled device camera. Data averaged over 371 images and 210 pixels along a 36.7mmline measured freestream densities that agree with computed isentropic-expansion densities to less than 2% and less than 6% at the highest and lowest densities, respectively. Cluster-free Mach 10 results are compared with previous clustered Mach 6 and condensation-free Mach 14 results. Evidence is presented indicating vibrationally excited oxygen and nitrogen molecules are absorbed as the clusters form, release their excess energy, and inhibit or possibly reverse the clustering process. Implications for delaying clustering and condensation onset in hypersonic and hypervelocity facilities are discussed.

  13. The composition of nucleation and Aitken modes particles during coastal nucleation events: evidence for marine secondary organic contribution

    NASA Astrophysics Data System (ADS)

    Vaattovaara, P.; Huttunen, P. E.; Yoon, Y. J.; Joutsensaari, J.; Lehtinen, K. E. J.; O'Dowd, C. D.; Laaksonen, A.

    2006-04-01

    Newly-formed nanometer-sized particles have been observed at coastal and marine environments worldwide. Interestingly, organic species have so far not been detected in those newly-formed nucleation mode particles. In this study, we applied the UFO-TDMA (ultrafine organic tandem differential mobility analyzer) method to study the possible existence of an organic fraction in recently formed coastal nucleation mode particles (d<20 nm) at the Mace Head research station. Furthermore, effects of those nucleation events to potential CCN (cloud condensation nuclei) were studied. The coastal events were typical for the Mace Head region and they occurred at low tide conditions during efficient solar radiation and high biological activity (HBA, i.e. a high mass concentration of chlorophyll a of the ocean) in spring 2002. Additionally, a PHA-UCPC (pulse height analyzer ultrafine condensation particle counter) technique was used to study the composition of newly-formed particles formed in low tide conditions during a lower biological activity (LBA, i.e. a lower mass concentration of chlorophyll a of the ocean) in October 2002. The overall results of the UFO-TDMA and the PHA-UCPC measurements indicate that those coastally/marinely formed nucleation mode particles include a remarkable fraction of secondary organic products, beside iodine oxides, which are likely to be responsible for the nucleation. During clean marine air mass conditions, the origin of those secondary organic oxidation compounds can be related to marine/coastal biota and thus a major fraction of the organics may originate from biosynthetic production of alkenes such as isoprene and their oxidation by iodine, hydroxyl radical, and ozone. During modified marine conditions, also anthropogenic secondary organic compounds may contribute to the nucleation mode organic mass, in addition to biogenic secondary organic compounds. Thus, the UFO-TDMA results suggest that the secondary organic compounds may, in addition to

  14. Observations of nucleation of new particles in a volcanic plume.

    PubMed

    Boulon, Julien; Sellegri, Karine; Hervo, Maxime; Laj, Paolo

    2011-07-26

    Volcanic eruptions caused major weather and climatic changes on timescales ranging from hours to centuries in the past. Volcanic particles are injected in the atmosphere both as primary particles rapidly deposited due to their large sizes on time scales of minutes to a few weeks in the troposphere, and secondary particles mainly derived from the oxidation of sulfur dioxide. These particles are responsible for the atmospheric cooling observed at both regional and global scales following large volcanic eruptions. However, large condensational sinks due to preexisting particles within the plume, and unknown nucleation mechanisms under these circumstances make the assumption of new secondary particle formation still uncertain because the phenomenon has never been observed in a volcanic plume. In this work, we report the first observation of nucleation and new secondary particle formation events in a volcanic plume. These measurements were performed at the puy de Dôme atmospheric research station in central France during the Eyjafjallajokull volcano eruption in Spring 2010. We show that the nucleation is indeed linked to exceptionally high concentrations of sulfuric acid and present an unusual high particle formation rate. In addition we demonstrate that the binary H(2)SO(4) - H(2)O nucleation scheme, as it is usually considered in modeling studies, underestimates by 7 to 8 orders of magnitude the observed particle formation rate and, therefore, should not be applied in tropospheric conditions. These results may help to revisit all past simulations of the impact of volcanic eruptions on climate.

  15. Transient behavior and time lags in binary nucleation

    SciTech Connect

    Wyslouzil, B.E.; Wilemski, G.

    1996-04-02

    To investigate transient binary nucleation, both qualitatively and quantitatively, we numerically solved the birth-death equations for vapor-to-liquid phase transitions. We found that in its early transient stages, binary nucleation rarely, if ever, occurs via the saddle point. Instead most binary systems pass through a temporary stage in which the region of maximum flux extends over a ridge on the free energy surface before reaching the state of saddle point nucleation. Both the number of particles formed and their composition may be affected, and this could be very important for nucleation in glasses and other condensed mixtures for which timescales are very long. In order to plan experiments, accurate estimates of the time lag are important. We therefore directly calculated the time lag for the saddle point flux using our numerical results and compared it with the available analytical predictions. Although the analytical results over-estimate the time lag by factors of 2-6, the numerical results followed the predicted analytical trends quite closely under most conditions.

  16. Measurement of the nucleation of atmospheric aerosol particles.

    PubMed

    Kulmala, Markku; Petäjä, Tuukka; Nieminen, Tuomo; Sipilä, Mikko; Manninen, Hanna E; Lehtipalo, Katrianne; Dal Maso, Miikka; Aalto, Pasi P; Junninen, Heikki; Paasonen, Pauli; Riipinen, Ilona; Lehtinen, Kari E J; Laaksonen, Ari; Kerminen, Veli-Matti

    2012-09-01

    The formation of new atmospheric aerosol particles and their subsequent growth have been observed frequently at various locations all over the world. The atmospheric nucleation rate (or formation rate) and growth rate (GR) are key parameters to characterize the phenomenon. Recent progress in measurement techniques enables us to measure atmospheric nucleation at the size (mobility diameter) of 1.5 (±0.4) nm. The detection limit has decreased from 3 to 1 nm within the past 10 years. In this protocol, we describe the procedures for identifying new-particle-formation (NPF) events, and for determining the nucleation, formation and growth rates during such events under atmospheric conditions. We describe the present instrumentation, best practices and other tools used to investigate atmospheric nucleation and NPF at a certain mobility diameter (1.5, 2.0 or 3.0 nm). The key instruments comprise devices capable of measuring the number concentration of the formed nanoparticles and their size, such as a suite of modern condensation particle counters (CPCs) and air ion spectrometers, and devices for characterizing the pre-existing particle number concentration distribution, such as a differential mobility particle sizer (DMPS). We also discuss the reliability of the methods used and requirements for proper measurements and data analysis. The time scale for realizing this procedure is 1 year.

  17. Containerless Undercooled Melts: Ordering, Nucleation, and Dendrite Growth

    NASA Astrophysics Data System (ADS)

    Herlach, Dieter M.; Binder, Sven; Galenko, Peter; Gegner, Jan; Holland-Moritz, Dirk; Klein, Stefan; Kolbe, Matthias; Volkmann, Thomas

    2015-11-01

    Electromagnetic and electrostatic levitation are applied to containerless undercool and solidify metallic melts. A large undercooling range becomes accessible with the extra benefit that the freely suspended drop is accessible directly for in situ observation. The short-range order in undercooled melts is investigated by combining levitation with elastic neutron scattering and X-ray scattering using synchrotron radiation. Muon Spin Rotation ( µSR) experiments show magnetic ordering in deeply undercooled Co80Pd20 alloys. The onset of magnetic ordering stimulates nucleation. Results on nucleation undercooling of zirconium are presented showing the limit of maximum undercoolability set by the onset of homogeneous nucleation. Metastable phase diagrams are determined by applying energy-dispersive X-ray diffraction of Ni-V alloys with varying concentration. Nucleation is followed by crystal growth. Rapid dendrite growth velocity is measured on levitation-processed samples as a function of undercooling ∆ T by using high-speed video camera technique. Solute trapping in dilute solid solutions and disorder trapping in intermetallic compounds are experimentally verified. Measurements of glass-forming Cu-Zr alloy show a maximum in the V(∆ T) relation that is indicative for diffusion-controlled growth. The influence of convection on dendrite growth of Al50Ni50 is shown by comparative measurements of dendrite growth velocity on Earth and in reduced gravity. Eventually, faceting of a rough interface by convection is presented as observed on Ni2B alloys.

  18. Reducing the nucleation barrier in magnetocaloric Heusler alloys by nanoindentation

    NASA Astrophysics Data System (ADS)

    Niemann, R.; Hahn, S.; Diestel, A.; Backen, A.; Schultz, L.; Nielsch, K.; Wagner, M. F.-X.; Fähler, S.

    2016-06-01

    Magnetocaloric materials are promising as solid state refrigerants for more efficient and environmentally friendly cooling devices. The highest effects have been observed in materials that exhibit a first-order phase transition. These transformations proceed by nucleation and growth which lead to a hysteresis. Such irreversible processes are undesired since they heat up the material and reduce the efficiency of any cooling application. In this article, we demonstrate an approach to decrease the hysteresis by locally changing the nucleation barrier. We created artificial nucleation sites and analyzed the nucleation and growth processes in their proximity. We use Ni-Mn-Ga, a shape memory alloy that exhibits a martensitic transformation. Epitaxial films serve as a model system, but their high surface-to-volume ratio also allows for a fast heat transfer which is beneficial for a magnetocaloric regenerator geometry. Nanoindentation is used to create a well-defined defect. We quantify the austenite phase fraction in its proximity as a function of temperature which allows us to determine the influence of the defect on the transformation.

  19. Crystal nucleation as the ordering of multiple order parameters

    NASA Astrophysics Data System (ADS)

    Russo, John; Tanaka, Hajime

    2016-12-01

    Nucleation is an activated process in which the system has to overcome a free energy barrier in order for a first-order phase transition between the metastable and the stable phases to take place. In the liquid-to-solid transition, the process occurs between phases of different symmetry, and it is thus inherently a multi-dimensional process, in which all symmetries are broken at the transition. In this Focus Article, we consider some recent studies which highlight the multi-dimensional nature of the nucleation process. Even for a single-component system, the formation of solid crystals from the metastable melt involves fluctuations of two (or more) order parameters, often associated with the decoupling of positional and orientational symmetry breaking. In other words, we need at least two order parameters to describe the free-energy of a system including its liquid and crystalline states. This decoupling occurs naturally for asymmetric particles or directional interactions, focusing here on the case of water, but we will show that it also affects spherically symmetric interacting particles, such as the hard-sphere system. We will show how the treatment of nucleation as a multi-dimensional process has shed new light on the process of polymorph selection, on the effect of external fields on the nucleation process and on glass-forming ability.

  20. Ion-induced nucleation of pure biogenic particles

    NASA Astrophysics Data System (ADS)

    Kirkby, Jasper; Duplissy, Jonathan; Sengupta, Kamalika; Frege, Carla; Gordon, Hamish; Williamson, Christina; Heinritzi, Martin; Simon, Mario; Yan, Chao; Almeida, João; Tröstl, Jasmin; Nieminen, Tuomo; Ortega, Ismael K.; Wagner, Robert; Adamov, Alexey; Amorim, Antonio; Bernhammer, Anne-Kathrin; Bianchi, Federico; Breitenlechner, Martin; Brilke, Sophia; Chen, Xuemeng; Craven, Jill; Dias, Antonio; Ehrhart, Sebastian; Flagan, Richard C.; Franchin, Alessandro; Fuchs, Claudia; Guida, Roberto; Hakala, Jani; Hoyle, Christopher R.; Jokinen, Tuija; Junninen, Heikki; Kangasluoma, Juha; Kim, Jaeseok; Krapf, Manuel; Kürten, Andreas; Laaksonen, Ari; Lehtipalo, Katrianne; Makhmutov, Vladimir; Mathot, Serge; Molteni, Ugo; Onnela, Antti; Peräkylä, Otso; Piel, Felix; Petäjä, Tuukka; Praplan, Arnaud P.; Pringle, Kirsty; Rap, Alexandru; Richards, Nigel A. D.; Riipinen, Ilona; Rissanen, Matti P.; Rondo, Linda; Sarnela, Nina; Schobesberger, Siegfried; Scott, Catherine E.; Seinfeld, John H.; Sipilä, Mikko; Steiner, Gerhard; Stozhkov, Yuri; Stratmann, Frank; Tomé, Antonio; Virtanen, Annele; Vogel, Alexander L.; Wagner, Andrea C.; Wagner, Paul E.; Weingartner, Ernest; Wimmer, Daniela; Winkler, Paul M.; Ye, Penglin; Zhang, Xuan; Hansel, Armin; Dommen, Josef; Donahue, Neil M.; Worsnop, Douglas R.; Baltensperger, Urs; Kulmala, Markku; Carslaw, Kenneth S.; Curtius, Joachim

    2016-05-01

    Atmospheric aerosols and their effect on clouds are thought to be important for anthropogenic radiative forcing of the climate, yet remain poorly understood. Globally, around half of cloud condensation nuclei originate from nucleation of atmospheric vapours. It is thought that sulfuric acid is essential to initiate most particle formation in the atmosphere, and that ions have a relatively minor role. Some laboratory studies, however, have reported organic particle formation without the intentional addition of sulfuric acid, although contamination could not be excluded. Here we present evidence for the formation of aerosol particles from highly oxidized biogenic vapours in the absence of sulfuric acid in a large chamber under atmospheric conditions. The highly oxygenated molecules (HOMs) are produced by ozonolysis of α-pinene. We find that ions from Galactic cosmic rays increase the nucleation rate by one to two orders of magnitude compared with neutral nucleation. Our experimental findings are supported by quantum chemical calculations of the cluster binding energies of representative HOMs. Ion-induced nucleation of pure organic particles constitutes a potentially widespread source of aerosol particles in terrestrial environments with low sulfuric acid pollution.

  1. Ion-induced nucleation of pure biogenic particles.

    PubMed

    Kirkby, Jasper; Duplissy, Jonathan; Sengupta, Kamalika; Frege, Carla; Gordon, Hamish; Williamson, Christina; Heinritzi, Martin; Simon, Mario; Yan, Chao; Almeida, João; Tröstl, Jasmin; Nieminen, Tuomo; Ortega, Ismael K; Wagner, Robert; Adamov, Alexey; Amorim, Antonio; Bernhammer, Anne-Kathrin; Bianchi, Federico; Breitenlechner, Martin; Brilke, Sophia; Chen, Xuemeng; Craven, Jill; Dias, Antonio; Ehrhart, Sebastian; Flagan, Richard C; Franchin, Alessandro; Fuchs, Claudia; Guida, Roberto; Hakala, Jani; Hoyle, Christopher R; Jokinen, Tuija; Junninen, Heikki; Kangasluoma, Juha; Kim, Jaeseok; Krapf, Manuel; Kürten, Andreas; Laaksonen, Ari; Lehtipalo, Katrianne; Makhmutov, Vladimir; Mathot, Serge; Molteni, Ugo; Onnela, Antti; Peräkylä, Otso; Piel, Felix; Petäjä, Tuukka; Praplan, Arnaud P; Pringle, Kirsty; Rap, Alexandru; Richards, Nigel A D; Riipinen, Ilona; Rissanen, Matti P; Rondo, Linda; Sarnela, Nina; Schobesberger, Siegfried; Scott, Catherine E; Seinfeld, John H; Sipilä, Mikko; Steiner, Gerhard; Stozhkov, Yuri; Stratmann, Frank; Tomé, Antonio; Virtanen, Annele; Vogel, Alexander L; Wagner, Andrea C; Wagner, Paul E; Weingartner, Ernest; Wimmer, Daniela; Winkler, Paul M; Ye, Penglin; Zhang, Xuan; Hansel, Armin; Dommen, Josef; Donahue, Neil M; Worsnop, Douglas R; Baltensperger, Urs; Kulmala, Markku; Carslaw, Kenneth S; Curtius, Joachim

    2016-05-26

    Atmospheric aerosols and their effect on clouds are thought to be important for anthropogenic radiative forcing of the climate, yet remain poorly understood. Globally, around half of cloud condensation nuclei originate from nucleation of atmospheric vapours. It is thought that sulfuric acid is essential to initiate most particle formation in the atmosphere, and that ions have a relatively minor role. Some laboratory studies, however, have reported organic particle formation without the intentional addition of sulfuric acid, although contamination could not be excluded. Here we present evidence for the formation of aerosol particles from highly oxidized biogenic vapours in the absence of sulfuric acid in a large chamber under atmospheric conditions. The highly oxygenated molecules (HOMs) are produced by ozonolysis of α-pinene. We find that ions from Galactic cosmic rays increase the nucleation rate by one to two orders of magnitude compared with neutral nucleation. Our experimental findings are supported by quantum chemical calculations of the cluster binding energies of representative HOMs. Ion-induced nucleation of pure organic particles constitutes a potentially widespread source of aerosol particles in terrestrial environments with low sulfuric acid pollution.

  2. Surface or internal nucleation and crystallization of glass-ceramics

    NASA Astrophysics Data System (ADS)

    Höland, W.; Rheinberger, V. M.; Ritzberger, C.; Apel, E.

    2013-07-01

    Fluoroapatite (Ca5(PO4)3F) was precipitated in glass-ceramics via internal crystallization of base glasses. The crystals grew with a needle-like morphology in the direction of the crystallographic c-axis. Two different reaction mechanisms were analyzed: precipitation via a disordered primary apatite crystals and a solid state parallel reaction to rhenanite (NaCaPO4) precipitation. In contrast to the internal nucleation used in the formation of fluoroapatite, surface crystallization was induced to precipitate a phosphate-free oxyapatite of NaY9(SiO4)6O2-type. Internal nucleation and crystallization have been shown to be a very useful tool for developing high-strength lithium disilicate (Li2Si2O5) glass-ceramics. A very controlled process was conducted to transform the lithium metasilicate glass-ceramic precursor material into the final product of the lithium disilicate glass-ceramic without the major phase of the precursor material. The combination of all these methods allowed the driving forces of the internal nucleation and crystallization mechanisms to be explained. An amorphous phosphate primary phase was discovered in the process. Nucleation started at the interface between the amorphous phosphate phase and the glass matrix. The final products of all these glass-ceramics are biomaterials for dental restoration showing special optical properties, e.g. translucence and color close to dental teeth.

  3. Nucleation and growth of nanoscaled one-dimensional materials

    NASA Astrophysics Data System (ADS)

    Cui, Hongtao

    Nanoscaled one-dimensional materials have attracted great interest due to their novel physical and chemical properties. The purpose of this dissertation is to study the nucleation and growth mechanisms of carbon nanotubes and silicon nitride nanowires with their field emission applications in mind. As a result of this research, a novel methodology has been developed to deposit aligned bamboo-like carbon nanotubes on substrates using a methane and ammonia mixture in microwave plasma enhanced chemical deposition. Study of growth kinetics suggests that the carbon diffusion through bulk catalyst particles controls growth in the initial deposition process. Microstructures of carbon nanotubes are affected by the growth temperature and carbon concentration in the gas phase. High-resolution transmission electron microscope confirms the existence of the bamboo-like structure. Electron diffraction reveals that the iron-based catalyst nucleates and sustains the growth of carbon nanotubes. A nucleation and growth model has been constructed based upon experimental data and observations. In the study of silicon nitride nanoneedles, a vapor-liquid-solid model is employed to explain the nucleation and growth processes. Ammonia plasma etching is proposed to reduce the size of the catalyst and subsequently produce the novel needle-like nanostructure. High-resolution transmission electron microscope shows the structure is well crystallized and composed of alpha-silicon nitride. Other observations in the structure are also explained.

  4. Nucleation of ice and its management in ecosystems.

    PubMed

    Franks, Felix

    2003-03-15

    In addition to the gas and liquid phases, water can exist in many different solid states. Some of these are the well-studied crystalline ice polymorphs and the clathrate hydrates, but at least two distinguishable amorphous solid forms have also been shown to exist. This diversity of possible condensed states implies a multiplicity of transitions, each of them presumably associated with a nucleation step. Disagreement still exists as to whether the amorphous states can be regarded as metastable phases, and whether the phenomenon of polyamorphism can be treated in terms of phase transitions. In the Earth's hydrosphere, several of the crystalline and amorphous water phases can be formed from vapour, under given conditions of temperature, pressure and supersaturation, and classical nucleation theory is believed to account reasonably well for the observed growth of condensed forms of water in the upper atmosphere. Many terrestrial organisms are able to activate mechanisms to control the nucleation and growth of ice when exposed to sub-zero temperatures, thus enabling them to minimize the lethal effects of extreme freeze desiccation. The substances involved in these mechanisms include carbohydrates, amino acids and so-called cold-shock proteins, but the actual mechanisms of interfering with ice nucleation, although quite well documented, are as yet imperfectly understood. This is particularly true for the genetic control associated with biochemical processes that produce freeze resistance and freeze tolerance. The molecular biology of cold stress is currently a subject of intensive study.

  5. Ultrasonic emissions during ice nucleation and propagation in plant xylem.

    PubMed

    Charrier, Guillaume; Pramsohler, Manuel; Charra-Vaskou, Katline; Saudreau, Marc; Améglio, Thierry; Neuner, Gilbert; Mayr, Stefan

    2015-08-01

    Ultrasonic acoustic emission analysis enables nondestructive monitoring of damage in dehydrating or freezing plant xylem. We studied acoustic emissions (AE) in freezing stems during ice nucleation and propagation, by combining acoustic and infrared thermography techniques and controlling the ice nucleation point. Ultrasonic activity in freezing samples of Picea abies showed two distinct phases: the first on ice nucleation and propagation (up to 50 AE s(-1) ; reversely proportional to the distance to ice nucleation point), and the second (up to 2.5 AE s(-1) ) after dissipation of the exothermal heat. Identical patterns were observed in other conifer and angiosperm species. The complex AE patterns are explained by the low water potential of ice at the ice-liquid interface, which induced numerous and strong signals. Ice propagation velocities were estimated via AE (during the first phase) and infrared thermography. Acoustic activity ceased before the second phase probably because the exothermal heating and the volume expansion of ice caused decreasing tensions. Results indicate cavitation events at the ice front leading to AE. Ultrasonic emission analysis enabled new insights into the complex process of xylem freezing and might be used to monitor ice propagation in natura.

  6. Scaling properties of induction times in heterogeneous nucleation

    NASA Technical Reports Server (NTRS)

    Shneidman, Vitaly A.; Weinberg, Michael C.

    1991-01-01

    The heterogeneous-to-homogeneous induction time ratio is obtained as a function of the contact angle in the asymptotic limit of a high nucleation barrier. Model-dependent corrections to t(ind) are investigated, particularly in cases of the Turnbull-Fisher model used in numerical simulations by Greer et al. (1990).

  7. A correlation for nucleate flow boiling in small channels

    SciTech Connect

    Tran, T.N. |; Wambsganss, M.W.; Chyu, M.C.; France, D.M.

    1997-08-01

    Compact heat exchangers are becoming more attractive for applications in which energy conservation, space saving, and cost are important considerations. Applications exist in the process industries where phase-change heat transfer realizes more compact designs and improved performance compared to single-phase heat transfer. However, there have been only a few studies in the literature reporting on phase-change heat transfer and two-phase flow in compact heat exchangers, and validated design correlations are lacking. Recent data from experiments on flow boiling of refrigerants in small channels have led researchers to conclude that nucleation is the dominant heat transfer mechanism over a broad range of heat flux and wall superheats. Local heat transfer coefficients and overall two-phase pressure drops were measured for three different refrigerants with circular and non-circular channels in a range of pressures. This data base supports the nucleate boiling mechanism, and it was used to develop a new correlation for heat transfer in nucleate flow boiling. The correlation is based on the Rohsenow boiling model, introducing a confinement number defined by Kew and Cornwell. The new correlation predicts the experimental data for nucleate flow boiling of three refrigerants within {+-}15%.

  8. Kinetics of homogeneous nucleation in many component systems

    NASA Technical Reports Server (NTRS)

    Hirschfelder, J. O.

    1974-01-01

    Reiss's classical treatment of the kinetics of homogeneous nucleation in a system containing two chemical components is extended to many-component systems. The formulation is analogous to the pseudo-stationary state theory of chemical reaction rates with the free energy as a function of the composition of the embryo taking the place of the potential energy as a function of interatomic distances.

  9. Kinetics of homogeneous nucleation on many-component systems

    NASA Technical Reports Server (NTRS)

    Hirschfelder, J. O.

    1974-01-01

    Reiss's (1950) classical treatment of the kinetics of homogeneous nucleation in a system containing two chemical components is extended to many-component systems. The formulation is analogous to the pseudostationary-state theory of chemical reaction rates, with the free energy as a function of the composition of the embryo taking the place of the potential energy as a function of interatomic distances.

  10. Ordered Nucleation Sites for the Growth of Zinc Oxide Nanofibers

    SciTech Connect

    Wang, J.; Ginley, D.S.; Shaheen, S.

    2006-01-01

    Organic photovoltaics (OPVs) offer a promising route to low cost photovoltaic (PV) technology that can be inexpensively manufactured on a large scale for use in power generation and commercial products. Solar power conversion efficiencies of laboratory scale OPV devices have recently reached ~5%; however, projected efficiencies of at least 10% will be required for commercialization. An analogous approach that has arisen recently that can potentially increase efficiencies employs metal oxide semiconductors as the electron acceptor, creating a hybrid organic-inorganic device. This approach offers the advantage that the conduction band of the oxide can be tuned in a systematic way through doping, thus potentially achieving higher photovoltages in the device. Additionally, nanostructures of these materials can be easily grown from precursor solutions, providing a technique to precisely control the nanoscale geometry. This work focuses on using ZnO, which is known to have high electron mobility (>100 cm2/Vs), as the electron acceptor. Nanofibers of ZnO can be grown from precursors such as zinc acetate or zinc nitrate to form arrays of nanofibers into which a conjugated polymer can be intercalated to form a composite PV device. The morphology of the nanofiber array is critical to the performance of the device, but current methods of nanofiber growth from a flat, polycrystalline nucleation layer allow for little morphological control. To overcome this limitation, we have created ordered arrays of ZnO nucleation sites with controllable size and spacing. Toluene solutions of diblock copolymer micelles with ZnCl2 incorporated into the micellar cores were spin-coated onto glass substrates and etched with an O2 plasma to yield hexagonally ordered arrays of ZnO nanoparticles that functioned as nucleation sites. Changing the concentration of ZnCl2 and the molecular weight and ratio of the diblock copolymer resulted in systematic variation in the size and spacing of the

  11. Numerical Modeling of Plasmas in which Nanoparticles Nucleate and Grow

    NASA Astrophysics Data System (ADS)

    Agarwal, Pulkit

    Dusty plasmas refer to a broad category of plasmas. Plasmas such as argon-silane plasmas in which particles nucleate and grow are widely used in semiconductor processing and nanoparticle manufacturing. In such dusty plasmas, the plasma and the dust particles are strongly coupled to each other. This means that the presence of dust particles significantly affects the plasma properties and vice versa. Therefore such plasmas are highly complex and they involve several interesting phenomena like nucleation, growth, coagulation, charging and transport. Dusty plasma afterglow is equally complex and important. Especially, residual charge on dust particles carries special significance in several industrial and laboratory situations and it has not been well understood. A 1D numerical model was developed of a low-pressure capacitively-coupled plasma in which nanoparticles nucleate and grow. Polydispersity of particle size distributions can be important in such plasmas. Sectional method, which is well known in aerosol literature, was used to model the evolving particle size and charge distribution. The numerical model is transient and one-dimensional and self consistently accounts for nucleation, growth, coagulation, charging and transport of dust particles and their effect on plasma properties. Nucleation and surface growth rates were treated as input parameters. Results were presented in terms of particle size and charge distribution with an emphasis on importance of polydispersity in particle growth and dynamics. Results of numerical model were compared with experimental measurements of light scattering and light emission from plasma. Reasonable qualitative agreement was found with some discrepancies. Pulsed dusty plasma can be important for controlling particle production and/or unwanted particle deposition. In this case, it is important to understand the behavior of the particle cloud during the afterglow following plasma turn-off. Numerical model was modified to self

  12. Microtubule nucleation and release from the neuronal centrosome

    PubMed Central

    1993-01-01

    We have proposed that microtubules (MTs) destined for axons and dendrites are nucleated at the centrosome within the cell body of the neuron, and are then released for translocation into these neurites (Baas, P. W., and H. C. Joshi. 1992. J. Cell Biol. 119:171-178). In the present study, we have tested the capacity of the neuronal centrosome to act as a generator of MTs for relocation into other regions of the neuron. In cultured sympathetic neurons undergoing active axonal outgrowth, MTs are present throughout the cell body including the region around the centrosome, but very few (< 10) are directly attached to the centrosome. These results indicate either that the neuronal centrosome is relatively inactive with regard to MT nucleation, or that most of the MTs nucleated at the centrosome are rapidly released. Treatment for 6 h with 10 micrograms/ml nocodazole results in the depolymerization of greater than 97% of the MT polymer in the cell body. Within 5 min after removal of the drug, hundreds of MTs have assembled in the region of the centrosome, and most of these MTs are clearly attached to the centrosome. A portion of the MTs are not attached to the centrosome, but are aligned side-by-side with the attached MTs, suggesting that the unattached MTs were released from the centrosome after nucleation. In addition, unattached MTs are present in the cell body at decreasing levels with increasing distance from the centrosome. By 30 min, the MT array of the cell body is indistinguishable from that of controls. The number of MTs attached to the centrosome is once again diminished to fewer than 10, suggesting that the hundreds of MTs nucleated from the centrosome after 5 min were subsequently released and translocated away from the centrosome. These results indicate that the neuronal centrosome is a highly potent MT- nucleating structure, and provide strong indirect evidence that MTs nucleated from the centrosome are released for translocation into other regions of the

  13. New Instrument INKA for Ice Nucleation and Growth Experiments

    NASA Astrophysics Data System (ADS)

    Schmitt, Thea; Levin, Ezra; Höhler, Kristina; Nadolny, Jens; Möhler, Ottmar; DeMott, Paul

    2015-04-01

    Microphysical processes in clouds, such as the formation and growth of ice crystals, significantly influence the weather and the climate. Particularly the transition from the supercooled water to the solid ice phase is of great relevance since ice formation initiates the formation of precipitation and thereby strongly affects the cloud structure and life time. However, the formulation and parameterization of these processes and further laboratory studies are needed to obtain quantitative information on the ice activity of various atmospheric aerosol species. Therefore, we have constructed and built a new continuous flow diffusion chamber (CFDC) called INKA (Ice Nucleation Instrument of the KArlsruhe Institut of Technology) to be used both in the AIDA laboratory for detailed studies of ice nucleation and growth processes and in field applications for measuring the temperature-dependent abundance of ice nucleating particles (INPs). The CFDC design was originally developed and theoretically described by Rogers et al. (1988). The main part of the new INKA instrument, the chamber, consists of two vertically-oriented, concentric tubes with a total length of 150 cm. Together with particle-free, dry sheath air, the sampled aerosol particles flow through the annular space between these two cylinders. The wall temperatures of the cylinders can be adjusted and the walls of the annular gap are coated with thin ice layers. The bottom part (about 50 cm) of the outer cylinder of INKA is separately cooled, which allows operation in two different modes: In the ice nucleation mode, the CFDC is operated with a nucleation and growth section, covering the upper 100 cm of its length, which exposes the aerosol particles to a defined temperature and supersaturation. The bottom part is the so called droplet evaporation section which allows the ice particles to grow to a detectable size on the expense of present droplets. In the ice growth mode, the full length of the cylinders is operated

  14. Investigation of primary nucleation phenomena of acetylsalicylic acid crystals induced by ultrasonic irradiation—ultrasonic energy needed to activate primary nucleation

    NASA Astrophysics Data System (ADS)

    Miyasaka, Etsuko; Ebihara, Satomi; Hirasawa, Izumi

    2006-09-01

    The purpose of our study is to clarify ultrasonic primary nucleation phenomena for controlling final product size by adjusting the number of primary nuclei. In our previous study, the effect of ultrasonic irradiation on the number of nuclei was investigated under the same supersaturated condition, as a result two novel phenomena were observed. First, there is a region where ultrasonic irradiation inhibits primary nucleation. Second, a specific amount of energy is needed to activate primary nucleation. From this result, it was expected that the ultrasonic energy needed to activate primary nucleation has a certain relationship to the energy necessary to form a stable nucleus. Therefore, we investigated the following: whether ultrasonic irradiation inhibits and activates primary nucleation at various degrees of supersaturation, whether final crystal size relates to the number of nuclei, and whether the ultrasonic energy needed to activate primary nucleation relates to the energy necessary to form a stable nucleus. First, we found that ultrasonic irradiation inhibits and activates primary nucleation at various supersaturated degrees. Second, we found that final crystal size increases or decreases depending on the number of nuclei. Therefore, it was indicated that ultrasonic energy could yield the desired crystal size by inducing suitable nucleation. Third, we found that the ultrasonic energy needed to activate primary nucleation decreases with a decrease in the energy necessary to form a stable nucleus. From this, we can propose criteria for determining the effect of ultrasonic irradiation on primary nucleation by showing diagrams correlating Δ Gcrit with Ecrit.

  15. A compact setup to study homogeneous nucleation and condensation

    NASA Astrophysics Data System (ADS)

    Karlsson, Mattias; Alxneit, Ivo; Rütten, Frederik; Wuillemin, Daniel; Tschudi, Hans Rudolf

    2007-03-01

    An experiment is presented to study homogeneous nucleation and the subsequent droplet growth at high temperatures and high pressures in a compact setup that does not use moving parts. Nucleation and condensation are induced in an adiabatic, stationary expansion of the vapor and an inert carrier gas through a Laval nozzle. The adiabatic expansion is driven against atmospheric pressure by pressurized inert gas its mass flow carefully controlled. This allows us to avoid large pumps or vacuum storage tanks. Because we eventually want to study the homogeneous nucleation and condensation of zinc, the use of carefully chosen materials is required that can withstand pressures of up to 106 Pa resulting from mass flow rates of up to 600 lN min-1 and temperatures up to 1200 K in the presence of highly corrosive zinc vapor. To observe the formation of droplets a laser beam propagates along the axis of the nozzle and the light scattered by the droplets is detected perpendicularly to the nozzle axis. An ICCD camera allows to record the scattered light through fused silica windows in the diverging part of the nozzle spatially resolved and to detect nucleation and condensation coherently in a single exposure. For the data analysis, a model is needed to describe the isentropic core part of the flow along the nozzle axis. The model must incorporate the laws of fluid dynamics, the nucleation and condensation process, and has to predict the size distribution of the particles created (PSD) at every position along the nozzle axis. Assuming Rayleigh scattering, the intensity of the scattered light can then be calculated from the second moment of the PSD.

  16. Ice Nucleation Properties of Amospherically Aged Biomass Burning Aerosol

    NASA Astrophysics Data System (ADS)

    Polen, M.; Lawlis, E.; Sullivan, R. C.

    2015-12-01

    Biomass burning can sometimes emit surprisingly active ice nucleating particles, though these emissions are not at all consistent between biomass fuel sources and burns. Soot from biomass combustion has been attributed to some but not all of the ice nucleating potential of biomass burning aerosol (BBA), while fossil fuel combustion soot emits very weak ice nucleants. The causes of the sometimes significant but variable ice nucleating ability of BBA are still largely unknown. BBA experiences significant atmospheric aging as the plume evolves and mixes with background air, yet almost no reports exploring the effects of atmospheric aging on the freezing properties of BBA have been made. We have performed some of the first experiments to determine the effects of simulated atmospheric aging on these ice nucleation properties, using a chamber reactor. The fresh and aged BBA was collected for subsequent droplet freezing array analysis using an impinger sampler to collect aerosol in water, and by deposition onto substrates in a MOUDI sampler. Droplets containing the chamber particles were then suspended in oil on a cold plate for freezing temperature spectrum measurement. Aging of Sawgrass flaming-phase combustion BBA by exposure to hydroxyl radicals (from H2O2 photolysis) enhanced the ice nucleation ability, observed by a shift to warmer droplet freezing temperatures by ~2-3°C. The changes in the aerosol's chemical composition during aging were observed using a laser ablation single-particle mass spectrometer and a soot-particle aerosol mass spectrometer. We will report our observations of the effects of other types of simulated aging (including photochemistry under high and low NOx conditions, dark ozonolysis, and nitric acid exposure) on Sawgrass and BBA from other grass and palm fuels.

  17. Palaeomagnetic field intensity variations suggest Mesoproterozoic inner-core nucleation.

    PubMed

    Biggin, A J; Piispa, E J; Pesonen, L J; Holme, R; Paterson, G A; Veikkolainen, T; Tauxe, L

    2015-10-08

    The Earth's inner core grows by the freezing of liquid iron at its surface. The point in history at which this process initiated marks a step-change in the thermal evolution of the planet. Recent computational and experimental studies have presented radically differing estimates of the thermal conductivity of the Earth's core, resulting in estimates of the timing of inner-core nucleation ranging from less than half a billion to nearly two billion years ago. Recent inner-core nucleation (high thermal conductivity) requires high outer-core temperatures in the early Earth that complicate models of thermal evolution. The nucleation of the core leads to a different convective regime and potentially different magnetic field structures that produce an observable signal in the palaeomagnetic record and allow the date of inner-core nucleation to be estimated directly. Previous studies searching for this signature have been hampered by the paucity of palaeomagnetic intensity measurements, by the lack of an effective means of assessing their reliability, and by shorter-timescale geomagnetic variations. Here we examine results from an expanded Precambrian database of palaeomagnetic intensity measurements selected using a new set of reliability criteria. Our analysis provides intensity-based support for the dominant dipolarity of the time-averaged Precambrian field, a crucial requirement for palaeomagnetic reconstructions of continents. We also present firm evidence for the existence of very long-term variations in geomagnetic strength. The most prominent and robust transition in the record is an increase in both average field strength and variability that is observed to occur between a billion and 1.5 billion years ago. This observation is most readily explained by the nucleation of the inner core occurring during this interval; the timing would tend to favour a modest value of core thermal conductivity and supports a simple thermal evolution model for the Earth.

  18. Homogenous Surface Nucleation of Solid Polar Stratospheric Cloud Particles

    NASA Technical Reports Server (NTRS)

    Tabazadeh, A.; Hamill, P.; Salcedo, D.; Gore, Warren J. (Technical Monitor)

    2002-01-01

    A general surface nucleation rate theory is presented for the homogeneous freezing of crystalline germs on the surfaces of aqueous particles. While nucleation rates in a standard classical homogeneous freezing rate theory scale with volume, the rates in a surface-based theory scale with surface area. The theory is used to convert volume-based information on laboratory freezing rates (in units of cu cm, seconds) of nitric acid trihydrate (NAT) and nitric acid dihydrate (NAD) aerosols into surface-based values (in units of sq cm, seconds). We show that a surface-based model is capable of reproducing measured nucleation rates of NAT and NAD aerosols from concentrated aqueous HNO3 solutions in the temperature range of 165 to 205 K. Laboratory measured nucleation rates are used to derive free energies for NAT and NAD germ formation in the stratosphere. NAD germ free energies range from about 23 to 26 kcal mole, allowing for fast and efficient homogeneous NAD particle production in the stratosphere. However, NAT germ formation energies are large (greater than 26 kcal mole) enough to prevent efficient NAT particle production in the stratosphere. We show that the atmospheric NAD particle production rates based on the surface rate theory are roughly 2 orders of magnitude larger than those obtained from a standard volume-based rate theory. Atmospheric volume and surface production of NAD particles will nearly cease in the stratosphere when denitrification in the air exceeds 40 and 78%, respectively. We show that a surface-based (volume-based) homogeneous freezing rate theory gives particle production rates, which are (not) consistent with both laboratory and atmospheric data on the nucleation of solid polar stratospheric cloud particles.

  19. A compact setup to study homogeneous nucleation and condensation.

    PubMed

    Karlsson, Mattias; Alxneit, Ivo; Rütten, Frederik; Wuillemin, Daniel; Tschudi, Hans Rudolf

    2007-03-01

    An experiment is presented to study homogeneous nucleation and the subsequent droplet growth at high temperatures and high pressures in a compact setup that does not use moving parts. Nucleation and condensation are induced in an adiabatic, stationary expansion of the vapor and an inert carrier gas through a Laval nozzle. The adiabatic expansion is driven against atmospheric pressure by pressurized inert gas its mass flow carefully controlled. This allows us to avoid large pumps or vacuum storage tanks. Because we eventually want to study the homogeneous nucleation and condensation of zinc, the use of carefully chosen materials is required that can withstand pressures of up to 10(6) Pa resulting from mass flow rates of up to 600 l(N) min(-1) and temperatures up to 1200 K in the presence of highly corrosive zinc vapor. To observe the formation of droplets a laser beam propagates along the axis of the nozzle and the light scattered by the droplets is detected perpendicularly to the nozzle axis. An ICCD camera allows to record the scattered light through fused silica windows in the diverging part of the nozzle spatially resolved and to detect nucleation and condensation coherently in a single exposure. For the data analysis, a model is needed to describe the isentropic core part of the flow along the nozzle axis. The model must incorporate the laws of fluid dynamics, the nucleation and condensation process, and has to predict the size distribution of the particles created (PSD) at every position along the nozzle axis. Assuming Rayleigh scattering, the intensity of the scattered light can then be calculated from the second moment of the PSD.

  20. Modelling polytypism in III-V nanowires: role of group V and nucleation patterns during the growth

    NASA Astrophysics Data System (ADS)

    Grecenkov, J.; Dubrovskii, V. G.

    2015-11-01

    This theoretical work deals with polytypism in nanowires by utilizing nucleation theory and by modifying standard expression for nucleation rate. Polycentric and monocentric nucleation cases are also considered. Results show good agreement with experimental data.

  1. Mesoscopic nucleation theory for confined systems: A one-parameter model

    NASA Astrophysics Data System (ADS)

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

    2015-02-01

    Classical nucleation theory has been recently reformulated based on fluctuating hydrodynamics [J. F. Lutsko and M. A. Durán-Olivencia, Classical nucleation theory from a dynamical approach to nucleation, J. Chem. Phys. 138, 244908 (2013)., 10.1063/1.4811490]. The present work extends this effort to the case of nucleation in confined systems such as small pores and vesicles. The finite available mass imposes a maximal supercritical cluster size and prohibits nucleation altogether if the system is too small. We quantity the effect of system size on the nucleation rate. We also discuss the effect of relaxing the capillary-model assumption of zero interfacial width resulting in significant changes in the nucleation barrier and nucleation rate.

  2. A Comparative Study of Nucleation Parameterizations: 2. Three-Dimensional Model Application and Evaluation

    EPA Science Inventory

    Following the examination and evaluation of 12 nucleation parameterizations presented in part 1, 11 of them representing binary, ternary, kinetic, and cluster‐activated nucleation theories are evaluated in the U.S. Environmental Protection Agency Community Multiscale Air Quality ...

  3. Urediospores of rust fungi are ice nucleation active at > -10 °C and harbor ice nucleation active bacteria

    NASA Astrophysics Data System (ADS)

    Morris, C. E.; Sands, D. C.; Glaux, C.; Samsatly, J.; Asaad, S.; Moukahel, A. R.; Gonçalves, F. L. T.; Bigg, E. K.

    2013-04-01

    Various features of the biology of the rust fungi and of the epidemiology of the plant diseases they cause illustrate the important role of rainfall in their life history. Based on this insight we have characterized the ice nucleation activity (INA) of the aerially disseminated spores (urediospores) of this group of fungi. Urediospores of this obligate plant parasite were collected from natural infections of 7 species of weeds in France, from coffee in Brazil and from field and greenhouse-grown wheat in France, the USA, Turkey and Syria. Immersion freezing was used to determine freezing onset temperatures and the abundance of ice nuclei in suspensions of washed spores. Microbiological analyses of spores from France, the USA and Brazil, and subsequent tests of the ice nucleation activity of the bacteria associated with spores were deployed to quantify the contribution of bacteria to the ice nucleation activity of the spores. All samples of spores were ice nucleation active, having freezing onset temperatures as high as -4 °C. Spores in most of the samples carried cells of ice nucleation-active strains of the bacterium Pseudomonas syringae (at rates of less than 1 bacterial cell per 100 urediospores), but bacterial INA accounted for only a small fraction of the INA observed in spore suspensions. Changes in the INA of spore suspensions after treatment with lysozyme suggest that the INA of urediospores involves a polysaccharide. Based on data from the literature, we have estimated the concentrations of urediospores in air at cloud height and in rainfall. These quantities are very similar to those reported for other biological ice nucleators in these same substrates. However, at cloud level convective activity leads to widely varying concentrations of particles of surface origin, so that mean concentrations can underestimate their possible effects on clouds. We propose that spatial and temporal concentrations of biological ice nucleators active at temperatures > -10

  4. Theory and practice of “shape spectroscopy” of local FCC structures in computer simulations of nucleation and crystallization

    NASA Astrophysics Data System (ADS)

    Mitus, A. C.; Smolej, F.; Hahn, H.; Patashinski, A. Z.

    1996-02-01

    Starting from the previously developed probabilistic method for recognition of structures of small clusters of atoms undergoing thermal fluctuations, we derive simple algorithms for the very detailed study of local face-centered-cubic (FCC) arrangements of the atoms, directly in a configuration of atoms when it is being simulated. This includes (i) an algorithm for a local identification of FCC-like clusters, with the discussion of its reliability, and (ii) an algorithm for the calculation of the relative orientational correlations between the clusters. As an illustration, the method is used for studying nucleation and growth of an FCC phase in a rapidly quenched melt of 4000 Lennard-Jones atoms. On the basis of this analysis, we propose two trial hypotheses about (i) the existence of “slow” and “quick” regimes during the nucleation and growth and (ii) that in the intermediate stages of nucleation and crystallization the FCC-like local order appears rather in two-, than in three-dimensional aggregates.

  5. The Investigation of the Process of Magnetic Domain Nucleation and Growth Under Microwave Excitation.

    NASA Astrophysics Data System (ADS)

    Dong, Jie-Lin

    Two experiments designed to investigate the mechanism of magnetic domain generation under the excitation of a localized microwave field are performed. The domain observation were made with a high speed optical sampling microscope system. The samples were magnetic garnet films with the composition Y_{1.92}Sm _{0.1}Ca_ {0.98}Fe_{4.02} Ge_{0.98}O _{12}. The first experiment related to the observation of the process of magnetic bubble generation by microwave excitation. The dependence of the microwave power threshold for bubble generation on experimental conditions such as microwave frequency, microwave plus width, DC bias field, etc. is reported. It was found that the magnetization in the area driven by the strong microwave field responds rather noncoherently. Nucleation centers are formed first. Under appropriate conditions these centers may enlarge to a full size bubble. The second experiment related to magnetic bubble collapse both with and without an applied local microwave field. It was performed in order to obtain information on the pressure on the domain wall. To explain the experimental results, the analysis of bubble domain wall motion by Callen and Josephs has been modified by introducing a non-linear velocity-drive characteristic. In the case of no microwave excitation, good fit between the theory and the experimental data then is obtained. A model applicable when microwave field is present was made based on "dipolar pressure" and "intrinsic pressure" microwave effects. However, some discrepancies exist between the theory and experimental results. A two-dimensional tile matrix system was used to model domain nucleation and growth under microwave excitation. Some preliminary computer simulation results based on this model are obtained. These results are matched with the experimental observations qualitatively. For further quantitative comparison between the theory and experiment, more work has to be done.

  6. Nucleation-dependant chemical bonding paradigm: the effect of rare earth ions on the nucleation of urea in aqueous solution.

    PubMed

    Chen, Xiaoyan; Sun, Congting; Wu, Sixin; Xue, Dongfeng

    2017-03-29

    Rare earth ions can be used to construct a variety of novel structures and are favorable to chemical bonding regulation and design. In this study, the chemical bonding paradigm between rare earth ions (Ln(3+)) and urea molecules in an aqueous solution can be tracked by the evolution of C[double bond, length as m-dash]O, NH2, and CN vibration bands during the urea nucleation stage. Rare earth ions such as La(3+), Gd(3+), and Lu(3+) can manipulate the nucleation time of urea via regulating the nucleation-dependant N-C[double bond, length as m-dash]OH-N hydrogen-bonding between urea molecules. Two types of chemical bondings between Ln(3+) and urea molecules have been confirmed, which are Ln(3+)O[double bond, length as m-dash]C-N and Ln(3+)NH2-C. Compared with Ln(3+)NH2-C, Ln(3+) prefers to coordinate with the O[double bond, length as m-dash]C bond in urea. With a higher concentration of rare earth ions in the solution, some N-C[double bond, length as m-dash]OH-N hydrogen bonds are broken as a consequence of the incorporation of Ln(3+) into the lattice, resulting in the decreased symmetry of local urea molecules in the crystalline nuclei and the consequent Ln(3+) concentration-dependent nucleation time of urea. Moreover, using the ionic electronegativity scale of Ln(3+), the different effects of La(3+), Gd(3+), and Lu(3+) on urea nucleation can be further distinguished. The present study provides basic data for unrevealing the chemical bonding regulation role of rare earth ions in the formation of hydrogen bonded materials, which may give insight into the design and fabrication of novel materials utilizing rare earth ions to adjust the chemical bonding process.

  7. Organic Aerosol Nucleation and Growth at the CERN CLOUD chamber

    NASA Astrophysics Data System (ADS)

    Tröstl, Jasmin; Lethipalo, Katrianne; Bianchi, Federico; Sipilä, Mikko; Nieminen, Tuomo; Wagner, Robert; Frege, Carla; Simon, Mario; Weingartner, Ernest; Gysel, Martin; Dommen, Josef; Baltensperger, Urs

    2014-05-01

    It is well known that atmospheric aerosols influence the climate by changing Earth's radiation balance (IPCC 2007 and 2013). Recent models have shown (Merikanto et al. 2009) that aerosol nucleation is one of the biggest sources of low level cloud condensation nuclei. Still, aerosol nucleation and growth are not fully understood. The driving force of nucleation and growth is sulfuric acid. However ambient nucleation and growth rates cannot be explained by solely sulfuric acid as precursor. Recent studies have shown that only traces of precursors like ammonia and dimethylamine enhance the nucleation rates dramatically (Kirkby et al. 2011, Almeida et al., 2013). Thus the role of different aerosol precursor needs to be studied not only in ambient but also in very well controlled chamber experiments. The CLOUD (Cosmics Leaving OUtdoor Droplets) experiment enables conducting experiments very close to atmospheric conditions and with a very low contaminant background. The latest CLOUD experiments focus on the role of organics in aerosol nucleation and growth. For this purpose, numerous experiments with alpha-pinene have been conducted at the CERN CLOUD chamber. Several state-of-the-art instruments were used to cover the whole complexity of the experiment. Chamber conditions were set to 40% relative humidity and 5° C. Atmospheric concentrations of SO2, O3, HONO, H2O and alpha-pinene were injected to the chamber. Different oxidation conditions were used, yielding different levels of oxidized organics: (1) OH radicals, (2) Ozone with the OH scavenger H2 (pure ozonolysis) and (3) both. SO2 was injected to allow for sulfuric acid production. Optical UV fibers were used to enable photochemical reactions. A high field cage (30 kV) can be turned on to remove all charged particles in the chamber to enable completely neutral conditions. Comparing neutral conditions to the beam conditions using CERN's proton synchrotron, the fraction of ion-induced nucleation can be studied. Using

  8. Protein crystal nucleation kinetics using relative light-scattering techniques: Center director's discretionary fund

    NASA Technical Reports Server (NTRS)

    Pusey, Marc Lee

    1989-01-01

    Light-scattering intensity measurements are a sensitive method for following changes in the hydrodynamic radius of particles in solution. The approach used in this report utilizes the light-scattering intensity ratios of a polydisperse to a monodisperse system. By numerically modeling the process, and fitting the model curves to the data, estimates have been obtained for the dimerization equilibrium constant, the dimer + dimer yields tetramer equilibrium constant, and the association rate constant for the dimerization process.

  9. Ice Nucleation Activity of Various Agricultural Soil Dust Aerosol Particles

    NASA Astrophysics Data System (ADS)

    Schiebel, Thea; Höhler, Kristina; Funk, Roger; Hill, Thomas C. J.; Levin, Ezra J. T.; Nadolny, Jens; Steinke, Isabelle; Suski, Kaitlyn J.; Ullrich, Romy; Wagner, Robert; Weber, Ines; DeMott, Paul J.; Möhler, Ottmar

    2016-04-01

    Recent investigations at the cloud simulation chamber AIDA (Aerosol Interactions and Dynamics in the Atmosphere) suggest that agricultural soil dust has an ice nucleation ability that is enhanced up to a factor of 10 compared to desert dust, especially at temperatures above -26 °C (Steinke et al., in preparation for submission). This enhancement might be caused by the contribution of very ice-active biological particles. In addition, soil dust aerosol particles often contain a considerably higher amount of organic matter compared to desert dust particles. To test agricultural soil dust as a source of ice nucleating particles, especially for ice formation in warm clouds, we conducted a series of laboratory measurements with different soil dust samples to extend the existing AIDA dataset. The AIDA has a volume of 84 m3 and operates under atmospherically relevant conditions over wide ranges of temperature, pressure and humidity. By controlled adiabatic expansions, the ascent of an air parcel in the troposphere can be simulated. As a supplement to the AIDA facility, we use the INKA (Ice Nucleation Instrument of the KArlsruhe Institute of Technology) continuous flow diffusion chamber based on the design by Rogers (1988) to expose the sampled aerosol particles to a continuously increasing saturation ratio by keeping the aerosol temperature constant. For our experiments, soil dust was dry dispersed into the AIDA vessel. First, fast saturation ratio scans at different temperatures were performed with INKA, sampling soil dust aerosol particles directly from the AIDA vessel. Then, we conducted the AIDA expansion experiment starting at a preset temperature. The combination of these two different methods provides a robust data set on the temperature-dependent ice activity of various agriculture soil dust aerosol particles with a special focus on relatively high temperatures. In addition, to extend the data set, we investigated the role of biological and organic matter in more

  10. A parameter free prediction of simulated crystal nucleation times in the Lennard-Jones system: from steady state nucleation to the transient-time regime

    SciTech Connect

    Peng, L.; Morris, James R; Aga, Rachel

    2010-01-01

    Large scale simulations of crystal nucleation from the liquid are performed using the Lennard-Jones potential, to determine the time required for nucleation. By considering both transient and finite-size effects, we successfully predict the nucleation time within order of magnitude without any parameter fitting. All necessary parameters are derived from separate, equilibrium simulations. At smaller undercoolings, large system sizes are required, not only to accommodate large critical nuclei, but also to control statistical effects that are controlled by the density of critical nuclei. Two distinct nucleation regions are observed in the simulations, which are dominated by transient time and steady state nucleation time, respectively. At deep undercoolings, we still show consistency between predicted transient times and simulated nucleation times, which suggests that the short nucleation times in simulations are due to a small barrier to nucleation, rather than spinodal transformation that have been previously predicted. We compare with similar, previous results on a model of Al, which does not show such rapid nucleation at low temperatures, and suggest that the differences are due to the behavior of the reduced barrier G*/kBT.

  11. Nucleation of the diamond phase in aluminium-solid solutions

    NASA Technical Reports Server (NTRS)

    Hornbogen, E.; Mukhopadhyay, A. K.; Starke, E. A., Jr.

    1993-01-01

    Precipitation was studied from fcc solid solutions with silicon, germanium, copper and magnesium. Of all these elements only silicon and germanium form diamond cubic (DC) precipitates in fcc Al. Nucleation of the DC structure is enhanced if both types of atom are dissolved in the fcc lattice. This is interpreted as due to atomic size effects in the prenucleation stage. There are two modes of interference of fourth elements with nucleation of the DC phase in Al + Si, Ge. The formation of the DC phase is hardly affected if the atoms (for example, copper) are rejected from the (Si, Ge)-rich clusters. If additional types of atom are attracted by silicon and/or germanium, DC nuclei are replaced by intermetallic compounds (for example Mg2Si).

  12. Bypass transition and spot nucleation in boundary layers

    NASA Astrophysics Data System (ADS)

    Kreilos, Tobias; Khapko, Taras; Schlatter, Philipp; Duguet, Yohann; Henningson, Dan S.; Eckhardt, Bruno

    2016-08-01

    The spatiotemporal aspects of the transition to turbulence are considered in the case of a boundary-layer flow developing above a flat plate exposed to free-stream turbulence. Combining results on the receptivity to free-stream turbulence with the nonlinear concept of a transition threshold, a physically motivated model suggests a spatial distribution of spot nucleation events. To describe the evolution of turbulent spots a probabilistic cellular automaton is introduced, with all parameters directly obtained from numerical simulations of the boundary layer. The nucleation rates are then combined with the cellular automaton model, yielding excellent quantitative agreement with the statistical characteristics for different free-stream turbulence levels. We thus show how the recent theoretical progress on transitional wall-bounded flows can be extended to the much wider class of spatially developing boundary-layer flows.

  13. Chlamydial TARP is a bacterial nucleator of actin.

    PubMed

    Jewett, Travis J; Fischer, Elizabeth R; Mead, David J; Hackstadt, Ted

    2006-10-17

    Chlamydia trachomatis entry into host cells results from a parasite-directed remodeling of the actin cytoskeleton. A type III secreted effector, TARP (translocated actin recruiting phosphoprotein), has been implicated in the recruitment of actin to the site of internalization. To elucidate the role of TARP in actin recruitment, we identified host cell proteins that associated with recombinant GST-TARP fusions. TARP directly associated with actin, and this interaction promoted actin nucleation as determined by in vitro polymerization assays. Domain analysis of TARP identified an actin-binding domain that bears structural and primary amino acid sequence similarity to WH2 domain family proteins. In addition, a proline-rich domain was found to promote TARP oligomerization and was required for TARP-dependent nucleation of new actin filaments. Our findings reveal a mechanism by which chlamydiae induce localized cytoskeletal changes by the translocated effector TARP during entry into host cells.

  14. Janus particle rotator-to-lamellar nucleation and growth kinetics

    NASA Astrophysics Data System (ADS)

    Beltran-Villegas, Daniel J.; Zhang, Yulei; Larson, Ronald G.

    2017-03-01

    We determine the free energy barrier, critical nucleus size, and kinetics of a Janus particle solid-solid transition by nucleation and growth of lamellar clusters within a metastable rotator phase. The transition involves negligible change in particle position and phase volume and entails only particle orientational ordering. Fast kinetics enable the analysis of unbiased crystal growth and shrinkage trajectories from Brownian dynamic simulations. By fitting simulation trajectories to a diffusion-migration equation, the nucleus free energy and growth coefficient as a function of nucleus size are extracted. Observed transition times are on the order of hundreds of characteristic particle rotation times. Lamellar crystal nuclei are oblate rather than spherical, but otherwise classical nucleation theory applies, with the bulk free energy contribution following closely the Maier-Saupe theory for purely orientational transitions and the interfacial energy contribution following trends from 3-dimensional Ising spin kinetics.

  15. Self-Templated Nucleation in Peptide and Protein Aggregation

    NASA Astrophysics Data System (ADS)

    Auer, Stefan; Dobson, Christopher M.; Vendruscolo, Michele; Maritan, Amos

    2008-12-01

    Peptides and proteins exhibit a common tendency to assemble into highly ordered fibrillar aggregates, whose formation proceeds in a nucleation-dependent manner that is often preceded by the formation of oligomeric assemblies. This process has received much attention because disordered oligomeric aggregates have been associated with neurodegenerative disorders such as Alzheimer’s and Parkinson’s disease. Here we describe a self-templated nucleation mechanism that determines the transition between the initial condensation of polypeptide chains into disordered assemblies and their reordering into fibrillar structures. The results that we present show that at the molecular level this transition is due to the ability of polypeptide chains to reorder within oligomers into fibrillar assemblies whose surfaces act as templates that stabilize the disordered assemblies.

  16. Identification of Ice Nucleation Active Sites on Feldspar Dust Particles

    PubMed Central

    2015-01-01

    Mineral dusts originating from Earth’s crust are known to be important atmospheric ice nuclei. In agreement with earlier studies, feldspar was found as the most active of the tested natural mineral dusts. Here we investigated in closer detail the reasons for its activity and the difference in the activity of the different feldspars. Conclusions are drawn from scanning electron microscopy, X-ray powder diffraction, infrared spectroscopy, and oil-immersion freezing experiments. K-feldspar showed by far the highest ice nucleation activity. Finally, we give a potential explanation of this effect, finding alkali-metal ions having different hydration shells and thus an influence on the ice nucleation activity of feldspar surfaces. PMID:25584435

  17. Shear effects on crystal nucleation in colloidal suspensions

    NASA Astrophysics Data System (ADS)

    Cerdà, Juan J.; Sintes, Tomás; Holm, C.; Sorensen, C. M.; Chakrabarti, A.

    2008-09-01

    Extensive two-dimensional Langevin dynamics simulations are used to determine the effect of steady shear flows on the crystal nucleation kinetics of charge stabilized colloids and colloids whose pair potential possess an attractive shallow well of a few kBT ’s (attractive colloids). Results show that in both types of systems small amounts of shear speeds up the crystallization process and enhances the quality of the growing crystal significantly. Moderate shear rates, on the other hand, destroy the ordering in the system. The very high shear rate regime where a reentering transition to the ordered state could exist is not considered in this work. In addition to the crystal nucleation phenomena, the analysis of the transport properties and the characterization of the steady state regime under shear are performed.

  18. Crystallization in supercooled liquid Cu: Homogeneous nucleation and growth

    NASA Astrophysics Data System (ADS)

    E, J. C.; Wang, L.; Cai, Y.; Wu, H. A.; Luo, S. N.

    2015-02-01

    Homogeneous nucleation and growth during crystallization of supercooled liquid Cu are investigated with molecular dynamics simulations, and the microstructure is characterized with one- and two-dimensional x-ray diffraction. The resulting solids are single-crystal or nanocrystalline, containing various defects such as stacking faults, twins, fivefold twins, and grain boundaries; the microstructure is subject to thermal fluctuations and extent of supercooling. Fivefold twins form via sequential twinning from the solid-liquid interfaces. Critical nucleus size and nucleation rate at 31% supercooling are obtained from statistical runs with the mean first-passage time and survival probability methods, and are about 14 atoms and 1032 m-3s-1, respectively. The bulk growth dynamics are analyzed with the Johnson-Mehl-Avrami law and manifest three stages; the Avrami exponent varies in the range of 1-19, which also depends on thermal fluctuations and supercooling.

  19. Quantum Nucleation of Phase Slips in 1-d Superfluids

    NASA Astrophysics Data System (ADS)

    Arovas, Daniel

    1998-03-01

    The rate for quantum nucleation of phase slips past an impurity in a one-dimensional superfluid is computed. Real time evolution of the nonlinear Schrödinger equation shows that there is a critical velocity vc below which solutions are time-independent [1,2]; this is the regime of quantum phase slip nucleation. We start with the Gross-Pitaevskii model in the presence of an impurity potential, and derive the Euclidean action for a space-time vortex-antivortex pair, which describes a phase slip event. The action is computed as a function of the superfluid velocity v and the impurity potential width and depth.l [1] V. Hakim, Phys. Rev. E 55, 2835 (1997).l [1] J. A. Freire, D. P. Arovas, and H. Levine, Phys. Rev. Lett (in press, 1997).l

  20. Crystallization in supercooled liquid Cu: Homogeneous nucleation and growth

    SciTech Connect

    E, J. C.; Wang, L.; Luo, S. N.; Cai, Y.; Wu, H. A.

    2015-02-14

    Homogeneous nucleation and growth during crystallization of supercooled liquid Cu are investigated with molecular dynamics simulations, and the microstructure is characterized with one- and two-dimensional x-ray diffraction. The resulting solids are single-crystal or nanocrystalline, containing various defects such as stacking faults, twins, fivefold twins, and grain boundaries; the microstructure is subject to thermal fluctuations and extent of supercooling. Fivefold twins form via sequential twinning from the solid-liquid interfaces. Critical nucleus size and nucleation rate at 31% supercooling are obtained from statistical runs with the mean first-passage time and survival probability methods, and are about 14 atoms and 10{sup 32} m{sup −3}s{sup −1}, respectively. The bulk growth dynamics are analyzed with the Johnson-Mehl-Avrami law and manifest three stages; the Avrami exponent varies in the range of 1–19, which also depends on thermal fluctuations and supercooling.

  1. Nucleation and Convection Effects in Protein Crystal Growth

    NASA Technical Reports Server (NTRS)

    Vekilow, Peter G.

    1998-01-01

    Our work under this grant has significantly contributed to the goals of the NASA supported protein crystallization program. We have achieved the main objectives of the proposed work, as outlined in the original proposal: (1) We have provided important insight into protein nucleation and crystal growth mechanisms to facilitate a rational approach to protein crystallization; (2) We have delineated the factors that currently limit the x-ray diffraction resolution of protein crystals, and their correlation to crystallization conditions; (3) We have developed novel technologies to study and monitor protein crystal nucleation and growth processes, in order to increase the reproducibility and yield of protein crystallization. We have published 17 papers in peer-reviewed scientific journals and books and made more than 15 invited and 9 contributed presentations of our results at international and national scientific meetings.

  2. Heterodimer formation and crystal nucleation of gramicidin D.

    PubMed Central

    Burkhart, B M; Gassman, R M; Langs, D A; Pangborn, W A; Duax, W L

    1998-01-01

    The linear pentadecapeptide antibiotic gramicidin D is a heterogeneous mixture of six components. Precise refinements of three-dimensional structures of naturally occurring gramicidin D in crystals obtained from methanol, ethanol, and n-propanol demonstrate the unexpected presence of stable left-handed antiparallel double-helical heterodimers that vary with the crystallization solvent. The side chains of Trp residues in the three structures exhibit sequence-specific patterns of conformational preference. Tyr substitution for Trp at position 11 appears to favor beta ribbon formation and stabilization of the antiparallel double helix that acts as a template for gramicidin folding and nucleation of different crystal forms. The fact that a minor component in a heterogeneous mixture influences aggregation and crystal nucleation has potential applications to other systems in which anomalous behavior is exhibited by aggregation of apparently homogeneous materials, such as the enigmatic behavior of prion proteins. PMID:9788907

  3. Review of nucleation and incipient boiling under pool and forced convection conditions

    NASA Technical Reports Server (NTRS)

    Merte, Herman, Jr.

    1987-01-01

    An overview of liquid-vapor nucleation is given. The result of thermodynamic equilibrium across curved liquid-vapor interfaces is presented. The extension of this to include the interaction with idealizations of surface cavities is made to demonstrate how superheat requirements for nucleation will be affected by surface roughness, flow velocity and buoyancy. Experimental measurements of high liquid superheats and nucleation delay times are presented as examples of homogeneous nucleation. Examples of nucleation and boiling on smooth glass substrates and on metal surfaces with various surface roughnesses are presented.

  4. Nucleation of holin domains and holes optimizes lysis timing of E. coli by phage λ

    NASA Astrophysics Data System (ADS)

    Ryan, Gillian; Rutenberg, Andrew

    2007-03-01

    Holin proteins regulate the precise scheduling of Escherichia coli lysis during infection by bacteriophage λ. Inserted into the host bacterium's inner membrane during infection, holins aggregate to form rafts and then holes within those rafts. We present a two-stage nucleation model of holin action, with the nucleation of condensed holin domains followed by the nucleation of holes within these domains. Late nucleation of holin rafts leads to a weak dependence of lysis timing on host cell size, though both nucleation events contribute equally to timing errors. Our simulations recover the accurate scheduling observed experimentally, and also suggest that phage-λ lysis of E.coli is optimized.

  5. Heterogeneous nucleation of catalyst-free InAs nanowires on silicon

    NASA Astrophysics Data System (ADS)

    Gomes, U. P.; Ercolani, D.; Zannier, V.; Battiato, S.; Ubyivovk, E.; Mikhailovskii, V.; Murata, Y.; Heun, S.; Beltram, F.; Sorba, L.

    2017-02-01

    We report on the heterogeneous nucleation of catalyst-free InAs nanowires on Si(111) substrates by chemical beam epitaxy. We show that nanowire nucleation is enhanced by sputtering the silicon substrate with energetic particles. We argue that particle bombardment introduces lattice defects on the silicon surface that serve as preferential nucleation sites. The formation of these nucleation sites can be controlled by the sputtering parameters, allowing the control of nanowire density in a wide range. Nanowire nucleation is accompanied by unwanted parasitic islands, but careful choice of annealing and growth temperature allows us to strongly reduce the relative density of these islands and to realize samples with high nanowire yield.

  6. Binary nucleation rates for ethanol/water mixtures in supersonic Laval nozzles: Analyses by the first and second nucleation theorems

    SciTech Connect

    Tanimura, Shinobu; Pathak, Harshad; Wyslouzil, Barbara E.

    2013-11-07

    We performed pressure trace measurements and small angle x-ray scattering measurements to determine the vapor-liquid nucleation rates of EtOH/H{sub 2}O mixtures including pure EtOH and pure H{sub 2}O in two supersonic Laval nozzles with different expansion rates. The nucleation rates varied from 0.9 × 10{sup 17} to 16 × 10{sup 17} cm{sup −3} s{sup −1} over the temperature range of 210 K to 230 K, EtOH activity range of 0 to 11.6, and H{sub 2}O activity range of 0 to 124. The first and second nucleation theorems were applied to the nucleation rates to estimate the sizes, compositions, and excess energies of the critical clusters. The critical clusters contained from 4 to 15 molecules for pure H{sub 2}O and EtOH/H{sub 2}O clusters, and from 16 to 23 molecules for pure EtOH clusters. Comparing the excess energies of the pure H{sub 2}O critical clusters with the results of a quantum-chemistry calculation suggested that the pre-factor of the theoretical nucleation rate is almost constant regardless of the monomer concentration. One possible explanation for this result is that cooling of the critical clusters limits the nucleation rate under the highly supersaturated conditions. The results of the analyses also yielded the relation between the surface energy and the composition of the critical clusters, where the latter are predicted to consist only of surface molecules. Applying this relationship to the EtOH/H{sub 2}O bulk liquid mixtures, we estimated the EtOH mole fraction in the surface layer and found it is higher than that derived from the surface tension based on the Gibbs adsorption equation when the EtOH mole fraction in the liquid is higher than about 0.2 mol/mol. This discrepancy was attributed to the existence of the EtOH depletion layer just below the surface layer of the liquid.

  7. Alteration of Heterogeneous Ice Nucleation Properties Induced by Particle Aging

    NASA Astrophysics Data System (ADS)

    Sullivan, R. C.; Polen, M.; Beydoun, H.; Lawlis, E.; Ahern, A.; Jahn, L.; Hill, T. C. J.

    2015-12-01

    Aerosol particles that can serve as ice nuclei frequently experience rapid and extensive chemical aging during atmospheric transport. This is known to significantly alter some ice nucleation modes of the few types of ice nucleation particle systems where aging effects have been simulated, such as for mineral dust. Yet much of our understanding of atmospheric particle freezing properties is derived from measurements of fresh or unaged particles. We know almost nothing regarding how atmospheric aging might alter the freezing properties of biomass burning aerosol or biological particle nucleants. We have investigated the effects of simulated aging using a chamber reactor on the heterogeneous ice nucleation properties of biomass burning aerosol (BBA) and ice-active bacteria particles. Some types of aging were found to enhance the freezing ability of BBA, exhibited as a shift in a portion of the droplet freezing curve to warmer temperatures by a few °C. Ice-active bacteria were found to consistently loose their most ice-active nucleants after repeated aging cycles. The bacterial systems always retained significantly efficient ice active sites that still allowed them to induce freezing at mild/warm temperatures, despite this decrease in freezing ability. A comprehensive series of online single-particle mass spectrometry and offline spectromicroscopic analysis of individual particles was used to determine how the aging altered the aerosol's composition, and gain mechanistic insights into how this in turn altered the freezing properties. Our new ice nucleation framework that uses a continuous distribution of ice active site ability (contact angle) was used to interpret the droplet freezing spectra and understand how aging alters the internal and external variability, and rigidity, of the ice active sites.

  8. Did template-directed nucleation precede molecular replication?

    NASA Technical Reports Server (NTRS)

    Orgel, Leslie E.

    1986-01-01

    It is proposed that mononucleotides incorporated into the surfaces of microcrystals of inorganic phosphates such as hydroxyapatite can act as templates to assemble complementary mononucleotides from solution, and that the phosphate groups of the assembled nucleotides can facilitate nucleation of a second hydroxyapatite crystal. This would provide a mechanism of replication that is subject to natural selection. The possible role of a replicating system of this kind in the origins of life on the earth is discussed.

  9. Method and apparatus for nucleating the crystallization of undercooled materials

    DOEpatents

    Benson, David K.; Barret, Peter F.

    1989-01-01

    A method of storing and controlling a release of latent heat of transition of a phase-change material is disclosed. The method comprises trapping a crystallite of the material between two solid objects and retaining it there under high pressure by applying a force to press the two solid objects tightly together. A crystallite of the material is exposed to a quantity of the material that is in a supercooled condition to nucleate the crystallization of the supercooled material.

  10. The nucleation of false vacuum bubbles with compact geometries

    NASA Astrophysics Data System (ADS)

    Lee, Bum-Hoon; Lee, Chul H.; Lee, Wonwoo; Oh, Changheon

    2015-06-01

    We investigate and classify the possible types of false vacuum bubbles in Einstein gravity. The false vacuum bubbles can occur only if gravity is taken into account. We show that there exist solutions only with compact geometries. The analytic computations for the radius and nucleation rate of a vacuum bubble are evaluated using the thin-wall approximation. We discuss possible cosmological implications of our new solutions.

  11. A marine biogenic source of atmospherically relevant ice nucleating particles

    NASA Astrophysics Data System (ADS)

    Wilson, Theodore W.; Ladino, Luis A.; Alpert, Peter A.; Chance, Rosie; Whale, Thomas F.; Vergara Temprado, Jesús; Burrows, Susannah M.; Breckels, Mark N.; Kilthau, Wendy P.; Browse, Jo; Bertram, Allan K.; Miller, Lisa A.; Carpenter, Lucy J.; Hamilton, Jacqui F.; Carslaw, Kenneth S.; Brooks, Ian M.; Abbatt, Jonathan P. D.; Aller, Josephine Y.; Knopf, Daniel A.; Murray, Benjamin J.

    2016-04-01

    There are limited observations describing marine sources of ice nucleating particles (INPs), despite sea spray aerosol being one of the dominant sources of atmospheric particles globally. Evidence indicates that some marine aerosol particles act as INPs, but the source of these particles is unclear. The sea surface microlayer is enriched in surface active organic material representative of that found in sub-micron sea-spray aerosol. We show that the sea surface microlayer is enriched in INPs that nucleate ice under conditions pertinent to both high-altitude ice clouds and low to mid-altitude mixed-phase clouds. The INPs pass through 0.2 μm pore filters, are heat sensitive and spectroscopic analysis indicates the presence of material consistent with phytoplankton exudates. Mass spectrometric analysis of solid phase extracted dissolved organic material from microlayer and sub-surface water samples showed that the relative abundance of certain ions correlated with microlayer ice nucleation activity. However, these ions were not themselves directly responsible for ice nucleation. We propose that material associated with phytoplankton exudates is a candidate for the observed activity of the microlayer samples. We show that laboratory produced exudate from a ubiquitous marine diatom contains INPs despite its separation from diatom cells. Finally we use a parameterisation of our field data to estimate the atmospheric INP contribution from primary marine organic emissions using a global model and test the model against existing INP measurements in the remote oceans. We find that biogenic marine INPs can be dominant in remote marine environments, such as the Southern Ocean.

  12. Ice nucleating activity of Pseudomonas syringae and Erwinia herbicola.

    PubMed Central

    Kozloff, L M; Schofield, M A; Lute, M

    1983-01-01

    Chemical and biological properties of the ice nucleating sites of Pseudomonas syringae, strain C-9, and Erwinia herbicola have been characterized. The ice nucleating activity (INA) for both bacteria was unchanged in buffers ranging from pH 5.0 to 9.2, suggesting that there were no essential groups for which a change in charge in this range was critical. The INA of both bacteria was also unaffected by the addition of metal chelating compounds. Borate compounds and certain lectins markedly inhibited the INA of both types of bacterial cells. Butyl borate was not an inhibitor, but borate, phenyl borate, and m-nitrophenyl borate were, in order, increasingly potent inhibitors. These compounds have a similar order of affinity for cis hydroxyls, particularly for those found on sugars. Lentil lectin and fava bean lectin, which have binding sites for mannose or glucose, inhibited the INA of both bacteria. All other lectins examined had no effect. The inhibition of INA by these two types of reagents indicate that sugar-like groups are at or near the ice nucleating site. Sulfhydryl reagents were potent inhibitors of the INA of both bacteria. When treated with N-ethylmaleimide, p-hydroxymercuribenzoate, or iodoacetamide, the INA was irreversibly inhibited by 99%. The kinetics of inactivation with N-ethylmaleimide suggested that E. herbicola cells have at least two separate ice nucleating sites, whereas P. syringae cells have possibly four or more separate sites. The effect of infection with a virulent phage (Erh 1) on the INA of E. herbicola was examined. After multiple infection of a bacterial culture the INA was unchanged until 40 to 45 min, which was midway through the 95-min latent period. At that time, the INA activity began falling and 99% of the INA was lost by 55 min after infection, well before any cells had lysed. This decrease in INA before lysis is attributed to phage-induced changes in the cell wall. PMID:6848483

  13. Effect of spin current on uniform ferromagnetism: domain nucleation.

    PubMed

    Shibata, Junya; Tatara, Gen; Kohno, Hiroshi

    2005-02-25

    A large spin current applied to a uniform ferromagnet leads to a spin-wave instability as pointed out recently. In this Letter, it is shown that such spin-wave instability is absent in a state containing a domain wall, which indicates that nucleation of magnetic domains occurs above a certain critical spin current. This scenario is supported also by an explicit energy comparison of the two states under spin current.

  14. Magnetostatic Effects in the Nucleation of Rare Earth Ferromagnetic Phases

    SciTech Connect

    Durfee, C. S.; Flynn, C. P.

    2001-07-30

    It has been reported that superheating, supercooling, and explosive kinetics coupled to other degrees of freedom occur at the ferromagnetic transitions of Er and Dy, and that metastable phases occur during the transition kinetics of Er. We explain these observations in terms of magnetostatic energy, which requires highly eccentric nuclei in the homogeneous nucleation of magnetic transitions in heavy rare earths. The magnetostatics favor transitions through ferrimagnetic intermediaries. The unusual kinetics derive from effective spin lattice relaxation.

  15. Flow Field Effects on Nucleation in a Reacting Mixture Layer.

    DTIC Science & Technology

    1984-11-01

    chemically reacting flows has been analysed by Fendell (1965) who considered the effect of the straining motion in a stagnation point flow on ignition...stagnation point diffusion flame ( Fendell , 1965, Linan, 1974). In the present study the effect of the strain rate or velocity gradient on nucleation kinetics...Symposium (International) on Corn- bustion, 799-810, Academic Press. Fendell , F. E. (1965). Ignition and extinction in combustion of initially unmixed

  16. Formation of silicon nanoparticles by a pressure induced nucleation mechanism

    NASA Astrophysics Data System (ADS)

    Kang, Myung-Koo; Kim, Si Joon; Kim, Hyun Jae

    2013-03-01

    Formation of silicon nanoparticles (SiNPs) was achieved using excimer laser crystallization of an amorphous Si (a-Si) thin film using a SiO2 capping layer (C/L) with improved thin-film transistor (TFT) performance due to the enlarged grain size of polycrystalline Si (poly-Si). After laser irradiation of an a-Si thin film covered with C/L, fluctuation in the surface morphology of the C/L was observed above the critical laser energy density (Ecr) with the formation of SiNPs. The grain size of the poly-Si layer after crystallization increased abruptly at the same time. A non-uniform pressure distribution beneath the SiO2 C/L was proposed for the initiation of nucleation, which is named pressure induced nucleation (PIN) mechanism. Following nucleation, the release of latent heat made it difficult for the remnant liquid Si to solidify and the volume increased due to the density difference between the liquid and solid Si. Consequently, the pressure on the liquid Si caused SiNPs to sprout through the SiO2 C/L as grains grew from the low temperature to high temperature point. This study offers not only a simple method to fabricate SiNPs with controllable size/density but also larger grain size with lower laser energy density, which leads to higher TFT performance.

  17. Ice nucleation efficiency of soot from biomass combustion

    NASA Astrophysics Data System (ADS)

    Umo, N. S.; Murray, B. J.; O'Sullivan, D.; Baeza-Romero, M. T.; Plane, J. C.

    2013-05-01

    Do Soot aerosols in the atmosphere indirectly influence the radiative budget of the Earth by modifying cloud properties, either by acting as cloud condensation nuclei (CCN) or as ice nuclei (IN). The ice nucleation activity of soot remains poorly quantified and there is a need to parameterise its impact for use in cloud-aerosol models. Here, we investigate the ice nucleation activity of eugenol soot in the immersion mode at conditions relevant to mixed-phase clouds. Eugenol is used as a proxy for a biomass combustion source. The efficiency of soot as an IN was quantified using droplet freezing techniques with droplet volumes ranging from nanolitre (˜100 μm diameter) to microliter (˜1 mm diameter). We show that soot nucleates ice in our experiments at temperatures up to -14°C, although the efficiency with which it does so is less than for mineral dust on a per surface area basis. An estimation of the IN number concentration that could result from our eugenol soot showed that, on a global average basis, IN from soot is secondary in importance to mineral dust below about -20°C. However, it may be important as IN in some locations which are deficient in dust, but rich in soot particles. We conclude that its overall impact can be significant considering its relative regional and global abundance.

  18. Nanoscale Nucleation and Growth of Electrodeposited Lithium Metal.

    PubMed

    Pei, Allen; Zheng, Guangyuan; Shi, Feifei; Li, Yuzhang; Cui, Yi

    2017-02-08

    Lithium metal has re-emerged as an exciting anode for high energy lithium-ion batteries due to its high specific capacity of 3860 mAh g(-1) and lowest electrochemical potential of all known materials. However, lithium has been plagued by the issues of dendrite formation, high chemical reactivity with electrolyte, and infinite relative volume expansion during plating and stripping, which present safety hazards and low cycling efficiency in batteries with lithium metal electrodes. There have been a lot of recent studies on Li metal although little work has focused on the initial nucleation and growth behavior of Li metal, neglecting a critical fundamental scientific foundation of Li plating. Here, we study experimentally the morphology of lithium in the early stages of nucleation and growth on planar copper electrodes in liquid organic electrolyte. We elucidate the dependence of lithium nuclei size, shape, and areal density on current rate, consistent with classical nucleation and growth theory. We found that the nuclei size is proportional to the inverse of overpotential and the number density of nuclei is proportional to the cubic power of overpotential. Based on this understanding, we propose a strategy to increase the uniformity of electrodeposited lithium on the electrode surface.

  19. Using Microfluidics to Decouple Nucleation and Growth of Protein Crystals.

    PubMed

    Shim, Jung-Uk; Cristobal, Galder; Link, Darren R; Thorsen, Todd; Fraden, Seth

    2007-01-01

    A high throughput, low volume microfluidic device has been designed to decouple the physical processes of protein crystal nucleation and growth. This device, called the Phase Chip, is constructed out of poly(dimethylsiloxane) (PDMS) elastomer. One of the Phase Chip's innovations is to exploit surface tension forces to guide each drop to a storage chamber. We demonstrate that nanoliter water-in-oil drops of protein solutions can be rapidly stored in individual wells thereby allowing the screening of 1000 conditions while consuming a total of only 10 mug protein on a 20 cm(2) chip. Another significant advance over current microfluidic devices is that each well is in contact with a reservoir via a dialysis membrane through which only water and other low molecular weight organic solvents can pass, but not salt, polymer, or protein. This enables the concentration of all solutes in a solution to be reversibly, rapidly, and precisely varied in contrast to current methods, such as the free interface diffusion or sitting drop methods, which are irreversible. The Phase Chip operates by first optimizing conditions for nucleation by using dialysis to supersaturate the protein solution, which leads to nucleation of many small crystals. Next, conditions are optimized for crystal growth by using dialysis to reduce the protein and precipitant concentrations, which leads small crystals to dissolve while simultaneously causing only the largest ones to grow, ultimately resulting in the transformation of many small, unusable crystals into a few large ones.

  20. Simulation studies of nucleation of ferroelectric polarization reversal.

    SciTech Connect

    Brennecka, Geoffrey L.; Winchester, Benjamin Michael

    2014-08-01

    Electric field-induced reversal of spontaneous polarization is the defining characteristic of a ferroelectric material, but the process(es) and mechanism(s) associated with the initial nucleation of reverse-polarity domains are poorly understood. This report describes studies carried out using phase field modeling of LiTaO3, a relatively simple prototype ferroelectric material, in order to explore the effects of either mechanical deformation or optically-induced free charges on nucleation and resulting domain configuration during field-induced polarization reversal. Conditions were selected to approximate as closely as feasible those of accompanying experimental work in order to provide not only support for the experimental work but also ensure that additional experimental validation of the simulations could be carried out in the future. Phase field simulations strongly support surface mechanical damage/deformation as effective for dramatically reducing the overall coercive field (Ec) via local field enhancements. Further, optically-nucleated polarization reversal appears to occur via stabilization of latent nuclei via the charge screening effects of free charges.

  1. Ice nucleation properties of the most abundant mineral dust phases

    NASA Astrophysics Data System (ADS)

    Zimmermann, Frank; Weinbruch, Stephan; Schütz, Lothar; Hofmann, Heiko; Ebert, Martin; Kandler, Konrad; Worringen, Annette

    2008-12-01

    The ice nucleation properties of the nine most abundant minerals occurring in desert aerosols (quartz, albite, microcline, kaolinite, montmorillonite, illite, calcite, gypsum, and hematite) were investigated by environmental scanning electron microscopy (ESEM). In this instrument, the pure minerals are exposed to water vapor at variable pressures and temperatures. The crystallization of ice on the mineral particles is observed by secondary electron imaging, and the supersaturation for an activated particle fraction of 1-3% is determined as function of temperature. In all experiments, condensation of water prior to ice formation was not observed within detectable limits, even at water supersaturation. The highest temperatures for 1-3% activation vary between -10°C and -16°C for the nine minerals investigated, and the corresponding onset relative humidities relative to ice RHi between 107 and 117%. Supersaturation temperature curves for initial ice formation (1-3% activation) in the temperature range typical for mixed-phase clouds were measured for all nine minerals. The temperature dependence of the onset relative humidity is strongly dependent on mineralogy. Kaolinite, montmorillonite, and hematite show a strong increase in RHi with decreasing temperature, whereas RHi is almost constant for illite, albite, quartz, and calcite. The highly variable ice nucleation properties of the various mineral dust components should be considered for parameterization schemes. Illite and kaolinite are the most important minerals to consider, as they have high ice nucleation efficiency and are common components of desert aerosols.

  2. Biological residues define the ice nucleation properties of soil dust

    NASA Astrophysics Data System (ADS)

    Conen, F.; Morris, C. E.; Leifeld, J.; Yakutin, M. V.; Alewell, C.

    2011-06-01

    Soil dust is a major driver of ice nucleation in clouds leading to precipitation. It consists largely of mineral particles with a small fraction of organic matter constituted mainly of remains of micro-organisms that participated in degrading plant debris before their own decay. Some micro-organisms have been shown to be much better ice nuclei than the most efficient soil mineral. Yet, current aerosol schemes in global climate models do not consider a difference between soil dust and mineral dust in terms of ice nucleation activity. Here, we show that particles from the clay and silt size fraction of four different soils naturally associated with 0.7 to 11.8 % organic carbon (w/w) can have up to four orders of magnitude more ice nuclei per unit mass active in the immersion freezing mode at -12 °C than montmorillonite, the most efficient pure clay mineral. Most of this activity was lost after heat treatment. Removal of biological residues reduced ice nucleation activity to, or below that of montmorillonite. Desert soils, inherently low in organic content, are a large natural source of dust in the atmosphere. In contrast, agricultural land use is concentrated on fertile soils with much larger organic matter contents than found in deserts. It is currently estimated that the contribution of agricultural soils to the global dust burden is less than 20 %. Yet, these disturbed soils can contribute ice nuclei to the atmosphere of a very different and much more potent kind than mineral dusts.

  3. Numerical simulation of water vapor nucleation on electrically neutral nanoparticles

    SciTech Connect

    Shevkunov, S. V.

    2009-03-15

    Atomic-level Monte Carlo simulations are performed to calculate the free energy, entropy, and work of nucleation for clusters of more than 6 x 10{sup 3} water molecules growing on silver iodide crystalline particles of size up to 4 nm at a temperature of 260 K. The Hamiltonian of the system includes explicit expressions for hydrogen bonding energy and Coulomb, dispersion, exchange, and polarization interactions. The work of nucleation exhibits complex behavior depending on the nucleation-site size. With increasing nanoparticle size, clusters become less stable and the probability of crystallization increases. Mutual polarization enhances the bonding between a cluster and a crystalline particle. Cluster growth on relatively large nanoparticles involves two stages characterized by two critical sizes: monolayer growth on the surface and growth normal to the surface. Spontaneous microdroplet polarization involving domain formation is found to occur at the crystal surface. The dependence of the ice-forming activity of an aerosol on particulate size observed in experiments is explained by combined effects of several competing factors, the dominant ones being the stabilizing and destabilizing effects of the nanoparticle electric field.

  4. Effect of system compliance on crack nucleation in soft materials

    NASA Astrophysics Data System (ADS)

    Rattan, Shruti; Crosby, Alfred

    Puncture mechanics in soft materials is critical for the development of new surgical instruments, robot assisted-surgery as well as new materials used in personal protective equipment. However, analytical techniques to study this important deformation process are limited. We have previously described a simple experimental method to study the resistive forces and failure of a soft gel being indented with a small tip needle. We showed that puncture stresses can reach two orders of magnitude greater than the material modulus and that the force response is insensitive to the geometry of the indenter at large indentation depths. Currently, we are examining the influence of system compliance on crack nucleation (e.g. puncture) in soft gels. It is well known that system compliance influences the peak force in adhesion and traditional fracture experiments; however, its influence on crack nucleation is unresolved. We find that as the system becomes more compliant, lower peak forces required to puncture a gel of certain stiffness with the same indenter were measured. We are developing scaling relationships to relate the peak puncture force and system compliance. Our findings introduce new questions with regard to the possibility of intrinsic materials properties related to the critical stress and energy for crack nucleation in soft materials.

  5. Surface dislocation nucleation controlled deformation of Au nanowires

    SciTech Connect

    Roos, B.; Kapelle, B.; Volkert, C. A.; Richter, G.

    2014-11-17

    We investigate deformation in high quality Au nanowires under both tension and bending using in-situ transmission electron microscopy. Defect evolution is investigated during: (1) tensile deformation of 〈110〉 oriented, initially defect-free, single crystal nanowires with cross-sectional widths between 30 and 300 nm, (2) bending deformation of the same wires, and (3) tensile deformation of wires containing coherent twin boundaries along their lengths. We observe the formation of twins and stacking faults in the single crystal wires under tension, and storage of full dislocations after bending of single crystal wires and after tension of twinned wires. The stress state dependence of the deformation morphology and the formation of stacking faults and twins are not features of bulk Au, where deformation is controlled by dislocation interactions. Instead, we attribute the deformation morphologies to the surface nucleation of either leading or trailing partial dislocations, depending on the Schmid factors, which move through and exit the wires producing stacking faults or full dislocation slip. The presence of obstacles such as neutral planes or twin boundaries hinder the egress of the freshly nucleated dislocations and allow trailing and leading partial dislocations to combine and to be stored as full dislocations in the wires. We infer that the twins and stacking faults often observed in nanoscale Au specimens are not a direct size effect but the result of a size and obstacle dependent transition from dislocation interaction controlled to dislocation nucleation controlled deformation.

  6. Ion-induced nucleation in a binary mixture

    NASA Technical Reports Server (NTRS)

    Smith, A. C.; Singh, J. J.; Yue, G. K.; Chan, L. Y.

    1982-01-01

    Recent ion-induced nucleation studies in a binary mixture of H2O and H2SO4 vapors indicate that conventional classical nucleation theories cannot account for the experimentally observed ion-H2O-H2SO4 microcluster spectra. An empirical-analytical, semi-molecular theory of nucleation of a binary mixture of vapors on ions has been developed. This theory includes molecular approach to ion-induced changes in dielectric properties in the immediate neighborhood of an ion core as well as the size dependence of the surface tension of the microcluster. In addition to gaseous sulfuric acid and water molecules, the effect of ion-hydrates and sulfuric acid hydrates has also been considered. This theory is further simplified by using an empirical correction factor for the electrostatic term. This correction factor has been obtained by comparing the simplified model with the molecular dynamics calculations for selected ion hydrate formation. These two theoretical models are then compared with the classical theory for a variety of experimental conditions.

  7. Nucleation processes of nanobubbles at a solid/water interface

    NASA Astrophysics Data System (ADS)

    Fang, Chung-Kai; Ko, Hsien-Chen; Yang, Chih-Wen; Lu, Yi-Hsien; Hwang, Ing-Shouh

    2016-04-01

    Experimental investigations of hydrophobic/water interfaces often return controversial results, possibly due to the unknown role of gas accumulation at the interfaces. Here, during advanced atomic force microscopy of the initial evolution of gas-containing structures at a highly ordered pyrolytic graphite/water interface, a fluid phase first appeared as a circular wetting layer ~0.3 nm in thickness and was later transformed into a cap-shaped nanostructure (an interfacial nanobubble). Two-dimensional ordered domains were nucleated and grew over time outside or at the perimeter of the fluid regions, eventually confining growth of the fluid regions to the vertical direction. We determined that interfacial nanobubbles and fluid layers have very similar mechanical properties, suggesting low interfacial tension with water and a liquid-like nature, explaining their high stability and their roles in boundary slip and bubble nucleation. These ordered domains may be the interfacial hydrophilic gas hydrates and/or the long-sought chemical surface heterogeneities responsible for contact line pinning and contact angle hysteresis. The gradual nucleation and growth of hydrophilic ordered domains renders the original homogeneous hydrophobic/water interface more heterogeneous over time, which would have great consequence for interfacial properties that affect diverse phenomena, including interactions in water, chemical reactions, and the self-assembly and function of biological molecules.

  8. Effective binary theory of multi-component nucleation

    SciTech Connect

    Kalikmanov, V. I.

    2015-03-28

    Classical theory of multi-component nucleation [O. Hirschfelder, J. Chem. Phys. 61, 2690 (1974)] belongs to the class of the so-called intractable problems: it requires computational time which is an exponential function of the number of components N. For a number of systems of practical interest with N > 10, the brute-force use of the classical theory becomes virtually impossible and one has to resort to an effective medium approach. We present an effective binary model which captures important physics of multi-component nucleation. The distinction between two effective species is based on the observation that while all N components contribute to the cluster thermodynamic properties, there is only a part of them which trigger the nucleation process. The proposed 2D-theory takes into account adsorption by means of the Gibbs dividing surface formalism and uses statistical mechanical considerations for the treatment of small clusters. Theoretical predictions for binary-, ternary-, and 14-component mixtures are compared with available experimental data and other models.

  9. Neonatal nucleated red blood cells in G6PD deficiency.

    PubMed

    Yeruchimovich, Mark; Shapira, Boris; Mimouni, Francis B; Dollberg, Shaul

    2002-05-01

    The objective of this study is to study the absolute number of nucleated red blood cells (RBC) at birth, an index of active fetal erythropoiesis, in infants with G6PD deficiency and in controls. We tested the hypothesis that hematocrit and hemoglobin would be lower, and absolute nucleated RBC counts higher, in the G6PD deficient and that these changes would be more prominent in infants exposed passively to fava bean through maternal diet. Thirty-two term infants with G6PD deficiency were compared with 30 term controls. Complete blood counts with manual differential counts were obtained within 12 hours of life. Absolute nucleated RBC and corrected leukocyte counts were computed from the Coulter results and the differential count. G6PD deficient patients did not differ from controls in terms of gestational age, birth weight, or Apgar scores or in any of the hematologic parameters studied, whether or not the mother reported fava beans consumption in the days prior to delivery. Although intrauterine hemolysis is possible in G6PD deficient fetuses exposed passively to fava beans, our study supports that such events must be very rare.

  10. A Model for Tetragonal Lysozyme Crystal Nucleation and Growth

    NASA Technical Reports Server (NTRS)

    Pusey, Marc L.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    Macromolecular crystallization is a complex process, involving a system that typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only a few contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be difficult or impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric (single chain) macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. This model has been developed from experimental evidence based upon face growth rate, AFM, and fluorescence energy transfer data for the nucleation and growth of tetragonal lysozyme crystals.

  11. Ice Nucleation Activity in the Widespread Soil Fungus Mortierella alpina

    NASA Astrophysics Data System (ADS)

    Fröhlich-Nowoisky, J.; Hill, T. C. J.; Pummer, B. G.; Franc, G. D.; Pöschl, U.

    2014-08-01

    Biological residues in soil dust are a potentially strong source of atmospheric ice nuclei (IN). So far, however, the abundance, diversity, sources, seasonality, and role of biological - in particular, fungal - IN in soil dust have not been characterized. By analysis of the culturable fungi in topsoils, from a range of different land use and ecosystem types in south-east Wyoming, we found ice nucleation active (INA) fungi to be both widespread and abundant, particularly in soils with recent inputs of decomposable organic matter. Across all investigated soils, 8% of fungal isolates were INA. All INA isolates initiated freezing at -5 to -6 °C, and belonged to a single zygomycotic species, Mortierella alpina (Mortierellales, Mortierellomycotina). By contrast, the handful of fungal species so far reported as INA all belong within the Ascomycota or Basidiomycota phyla. M. alpina is known to be saprobic, widespread in soil and present in air and rain. Sequencing of the ITS region and the gene for γ-linolenic-elongase revealed four distinct clades, affiliated to different soil types. The IN produced by M. alpina seem to be proteinaceous, <300 kDa in size, and can be easily washed off the mycelium. Ice nucleating fungal mycelium will ramify topsoils and probably also release cell-free IN into it. If these IN survive decomposition or are adsorbed onto mineral surfaces, their contribution might accumulate over time, perhaps to be transported with soil dust and influencing its ice nucleating properties.

  12. Nucleation Pathways of CO2 Condensation under Mesoporous Templated Glass

    NASA Astrophysics Data System (ADS)

    Wang, Bo; Byran, Matthew S.; Warren, Garfield T.; Sokol, Paul E.; Indiana University Team; NIST Collaboration

    2015-03-01

    Carbon capture and storage (CCS) are important elements in reducing greenhouse gas emission and combating global warming. The adsorption behavior of CO2 under mesoporous confinement at room temperature is particularly relevant. , Small Angle Scattering of X-ray (SAXS) and Neutron (SANS) were used to probe the adsorption process of CO2 under such mesoporous confinement MCM-41 and details of nucleation pathways were mapped out by fitting the scattering intensities with adsorption models. From both experiments, the nucleation of CO2 on the inner pore surface of MCM-41 is found to be a two-step process; high density liquid phase CO2 first forms uniform layers following the long range translational symmetry of the porous matrix, above one CO2 filling, determined by the pore size and temperature, capillary condensation initiates. The nucleation sites formed during capillary condensation start to separate the long range symmetry from the one at uniform layers. Finally, SAXS and SANS techniques are compared and they both showed their unique properties of probing the filling-dependent structures of adsorbed CO2 under such mesoporous system.

  13. Earthquake nucleation on faults with nonconstant normal stress

    NASA Astrophysics Data System (ADS)

    Fang, Z.; Dieterich, J. H.; Richards-Dinger, K. B.; Xu, G.

    2011-09-01

    Previous studies have found that earthquake nucleation on faults with rate-and-state dependent constitutive properties is a time dependent process involving evolution of slip rate v and frictional state variable θ. The evolution of θ is governed by an extended aging law, which accounts for the effects of normal stress variations. Assuming normal stress along the fault varies due to remote stressing, we derive a generalized simple patch (GSP) solution that explicitly describes quasi-static evolution of v and θ in the aseismic period, which is shown to agree well with simulation results from a 2D plane strain model. The GSP solution suggests that both initial and loading conditions affect time to instability ti. For initial conditions satisfying Ω = vθ/Dc > 1, ti is strongly dependent on initial slip rate but is insensitive to remote stressing rate. For Ω ≤ 1, ti is affected by initial slip rate, initial state variable and remote loading rate (both shear and normal). Using the GSP solution, we calculate aftershock rates following a Coulomb stress step, which generally agree with Omori's decay law. Our results show that nucleation process is strongly affected by normal stress variations purely originated from remote stressing, which implies that nucleation process on nonplanar faults may be quite different from those observed from planar fault models with pure shear loading conditions, since normal stress variations can arise due to both fault slip and remote stressing for nonplanar faults.

  14. Exploring Carbon Nanomaterial Diversity for Nucleation of Protein Crystals

    PubMed Central

    Govada, Lata; Leese, Hannah S.; Saridakis, Emmanuel; Kassen, Sean; Chain, Benny; Khurshid, Sahir; Menzel, Robert; Hu, Sheng; Shaffer, Milo S. P.; Chayen, Naomi E.

    2016-01-01

    Controlling crystal nucleation is a crucial step in obtaining high quality protein crystals for structure determination by X-ray crystallography. Carbon nanomaterials (CNMs) including carbon nanotubes, graphene oxide, and carbon black provide a range of surface topographies, porosities and length scales; functionalisation with two different approaches, gas phase radical grafting and liquid phase reductive grafting, provide routes to a range of oligomer functionalised products. These grafted materials, combined with a range of controls, were used in a large-scale assessment of the effectiveness for protein crystal nucleation of 20 different carbon nanomaterials on five proteins. This study has allowed a direct comparison of the key characteristics of carbon-based nucleants: appropriate surface chemistry, porosity and/or roughness are required. The most effective solid system tested in this study, carbon black nanoparticles functionalised with poly(ethylene glycol) methyl ether of mean molecular weight 5000, provides a novel highly effective nucleant, that was able to induce crystal nucleation of four out of the five proteins tested at metastable conditions. PMID:26843366

  15. Nucleation processes of nanobubbles at a solid/water interface

    PubMed Central

    Fang, Chung-Kai; Ko, Hsien-Chen; Yang, Chih-Wen; Lu, Yi-Hsien; Hwang, Ing-Shouh

    2016-01-01

    Experimental investigations of hydrophobic/water interfaces often return controversial results, possibly due to the unknown role of gas accumulation at the interfaces. Here, during advanced atomic force microscopy of the initial evolution of gas-containing structures at a highly ordered pyrolytic graphite/water interface, a fluid phase first appeared as a circular wetting layer ~0.3 nm in thickness and was later transformed into a cap-shaped nanostructure (an interfacial nanobubble). Two-dimensional ordered domains were nucleated and grew over time outside or at the perimeter of the fluid regions, eventually confining growth of the fluid regions to the vertical direction. We determined that interfacial nanobubbles and fluid layers have very similar mechanical properties, suggesting low interfacial tension with water and a liquid-like nature, explaining their high stability and their roles in boundary slip and bubble nucleation. These ordered domains may be the interfacial hydrophilic gas hydrates and/or the long-sought chemical surface heterogeneities responsible for contact line pinning and contact angle hysteresis. The gradual nucleation and growth of hydrophilic ordered domains renders the original homogeneous hydrophobic/water interface more heterogeneous over time, which would have great consequence for interfacial properties that affect diverse phenomena, including interactions in water, chemical reactions, and the self-assembly and function of biological molecules. PMID:27090291

  16. Exploring Carbon Nanomaterial Diversity for Nucleation of Protein Crystals

    NASA Astrophysics Data System (ADS)

    Govada, Lata; Leese, Hannah S.; Saridakis, Emmanuel; Kassen, Sean; Chain, Benny; Khurshid, Sahir; Menzel, Robert; Hu, Sheng; Shaffer, Milo S. P.; Chayen, Naomi E.

    2016-02-01

    Controlling crystal nucleation is a crucial step in obtaining high quality protein crystals for structure determination by X-ray crystallography. Carbon nanomaterials (CNMs) including carbon nanotubes, graphene oxide, and carbon black provide a range of surface topographies, porosities and length scales; functionalisation with two different approaches, gas phase radical grafting and liquid phase reductive grafting, provide routes to a range of oligomer functionalised products. These grafted materials, combined with a range of controls, were used in a large-scale assessment of the effectiveness for protein crystal nucleation of 20 different carbon nanomaterials on five proteins. This study has allowed a direct comparison of the key characteristics of carbon-based nucleants: appropriate surface chemistry, porosity and/or roughness are required. The most effective solid system tested in this study, carbon black nanoparticles functionalised with poly(ethylene glycol) methyl ether of mean molecular weight 5000, provides a novel highly effective nucleant, that was able to induce crystal nucleation of four out of the five proteins tested at metastable conditions.

  17. Thermodynamics and kinetics of bubble nucleation: Simulation methodology

    NASA Astrophysics Data System (ADS)

    Meadley, Stacey L.; Escobedo, Fernando A.

    2012-08-01

    The simulation of homogeneous liquid to vapor nucleation is investigated using three rare-event algorithms, boxed molecular dynamics, hybrid umbrella sampling Monte Carlo, and forward flux sampling. Using novel implementations of these methods for efficient use in the isothermal-isobaric ensemble, the free energy barrier to nucleation and the kinetic rate are obtained for a Lennard-Jones fluid at stretched and at superheated conditions. From the free energy surface mapped as a function of two order parameters, the global density and largest bubble volume, we find that the free energy barrier height is larger when projected over bubble volume. Using a regression analysis of forward flux sampling results, we show that bubble volume is a more ideal reaction coordinate than global density to quantify the progression of the metastable liquid toward the stable vapor phase and the intervening free energy barrier. Contrary to the assumptions of theoretical approaches, we find that the bubble takes on cohesive non-spherical shapes with irregular and (sometimes highly) undulating surfaces. Overall, the resulting free energy barriers and rates agree well between the methods, providing a set of complementary algorithms useful for studies of different types of nucleation events.

  18. Nucleation conditions for catalyst-free GaN nanowires

    NASA Astrophysics Data System (ADS)

    Bertness, K. A.; Roshko, A.; Mansfield, L. M.; Harvey, T. E.; Sanford, N. A.

    2007-03-01

    We have examined the initial steps for catalyst-free growth of GaN nanowires by molecular beam epitaxy (MBE) on Si (1 1 1) substrates using AlN buffer layers. These wires form spontaneously under high N-to-Ga ratios for a growth temperature range of about 810-830 °C. Field emission scanning electron microscopy (FESEM) shows that part of the GaN forms a "matrix layer" that also grows with the [0 0 0 1] direction perpendicular to the substrate surface. This layer contains small, dense hexagonal pits in which the nanowires nucleate. Using both FESEM and atomic force microscopy (AFM), we identify the pit facets as {1 0 1¯ 2} planes. The nucleation studies show that the use of an AlN buffer layer is essential to the regular formation of the nanowires and matrix layers under our growth conditions. Our typical AlN buffer layer is 40-50 nm thick. We conclude that the nucleation mechanism for nanowires includes formation of nanocolumns in the AlN buffer layer. The propagation of the nanowires in GaN growth appears to be driven by differences in growth rates among crystallographic planes under N-rich conditions.

  19. First Principles Simulations of Ice Nucleation at Metal Surfaces

    NASA Astrophysics Data System (ADS)

    Michaelides, Angelos

    2005-03-01

    Ice nucleation at solid surfaces is of relevance to countless scientific and technological processes. In particular the nucleation of ice nano-crystals on metal surfaces is often a key first step in cloud formation and corrosion [1]. Yet unfortunately this remains one of the most poorly understood natural phenomena; severely lacking in atomic level understanding. Here, we discuss detailed density functional theory studies aimed at putting our understanding of ice nucleation at metals on a much firmer footing. Specifically the properties of H2O hexamers - the smallest `building blocks' of ice - adsorbed on a number of close-packed transition metal surfaces have been examined. We find that the competing influences of substrate reactivity and hexamer-substrate epitaxial mismatch conspire to yield a rich variety of (novel) hexameric ice structures, some of which have been observed by recent scanning tunnelling microscopy experiments [2]. [1] H.R. Pruppacher and J.D. Klett, Microphysics of Clouds and Precipitation, (Kluwer, Dordrecht, 2003). [2] K. Morgenstern, et al., (To be published).

  20. Homogeneous nucleation in liquid nitrogen at negative pressures

    NASA Astrophysics Data System (ADS)

    Baidakov, V. G.; Vinogradov, V. E.; Pavlov, P. A.

    2016-10-01

    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 (Δ p = p s - p, where p s is the saturation pressure), the corresponding bubble nucleation frequencies J (1020-1022 s-1 m-3), and temperature induced nucleation frequency growth rate G T = dln J/dT have been experimentally determined. At T = 90 K, the limiting tensile stress was Δ p = 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."

  1. Epitaxial nucleation of CVD bilayer graphene on copper.

    PubMed

    Song, Yenan; Zhuang, Jianing; Song, Meng; Yin, Shaoqian; Cheng, Yu; Zhang, Xuewei; Wang, Miao; Xiang, Rong; Xia, Yang; Maruyama, Shigeo; Zhao, Pei; Ding, Feng; Wang, Hongtao

    2016-12-08

    Bilayer graphene (BLG) has emerged as a promising candidate for next-generation electronic applications, especially when it exists in the Bernal-stacked form, but its large-scale production remains a challenge. Here we present an experimental and first-principles calculation study of the epitaxial chemical vapor deposition (CVD) nucleation process for Bernal-stacked BLG growth on Cu using ethanol as a precursor. Results show that a carefully adjusted flow rate of ethanol can yield a uniform BLG film with a surface coverage of nearly 90% and a Bernal-stacking ratio of nearly 100% on ordinary flat Cu substrates, and its epitaxial nucleation of the second layer is mainly due to the active CH3 radicals with the presence of a monolayer-graphene-covered Cu surface. We believe that this nucleation mechanism will help clarify the formation of BLG by the epitaxial CVD process, and lead to many new strategies for scalable synthesis of graphene with more controllable structures and numbers of layers.

  2. Nucleation, growth and evolution of calcium phosphate films on calcite.

    PubMed

    Naidu, Sonia; Scherer, George W

    2014-12-01

    Marble, a stone composed of the mineral calcite, is subject to chemically induced weathering in nature due to its relatively high dissolution rate in acid rain. To protect monuments and sculpture from corrosion, we are investigating the application of thin layers of hydroxyapatite (HAP) onto marble. The motivation for using HAP is its low dissolution rate and crystal and lattice compatibility with calcite. A mild, wet chemical synthesis route, in which diammonium hydrogen phosphate salt was reacted with marble, alone and with cationic and anionic precursors under different reaction conditions, was used to produce inorganic HAP layers on marble. Nucleation and growth on the calcite substrate was studied, as well as metastable phase evolution, using scanning electron microscopy, grazing incidence X-ray diffraction, and atomic force microscopy. Film nucleation was enhanced by surface roughness. The rate of nucleation and the growth rate of the film increased with cationic (calcium) and anionic (carbonate) precursor additions. Calcium additions also influenced phase formation, introducing a metastable phase (octacalcium phosphate) and a different phase evolution sequence.

  3. Nucleation and crystal growth in laser patterned lines in glasses

    NASA Astrophysics Data System (ADS)

    Komatsu, Takayuki; Honma, Tsuyoshi

    2016-07-01

    Laser-induced crystallization is a new method for the design and control of the crystallization of glasses and opens a new door in the study of nucleation and crystal growth in glasses. Nonlinear optical Sm-doped -BaB2O4 (-BBO) crystal lines were patterned by continuous wave Yb:YVO4 fiber laser (wavelength 1080 nm) in 8Sm2O3-42BaO-50B2O3 glass as an example, and nucleation and crystal growth behaviors in the laser-patterned bending and crossing lines were examined. It was confirmed that the growth of c-axis oriented -BBO crystals follows along the laser scanning direction even if laser scanning direction changes. The model of self-organized homo-epitaxial crystal growth was demonstrated for the orientation of -BBO crystals at the crossing point of two lines, in which the first crystal line at the crossing point acts as nucleation site for the second crystal line. This study proposes a new crystal growth technology.

  4. The nucleation rate surfaces design over diagram of phase equilibria and their applications for computational chemistry

    NASA Astrophysics Data System (ADS)

    Anisimov, M. P.

    2016-12-01

    One can find in scientific literature a pretty fresh idea of the nucleation rate surfaces design over the diagrams of phase equilibria. That idea looks like profitable for the nucleation theory development and for various practical applications where predictions of theory have no high enough accuracy for today. The common thermodynamics has no real ability to predict parameters of the first order phase transition. Nucleation experiment can be provided in very local nucleation conditions even the nucleation takes place from the critical line (in two-component case) down to the absolute zero temperature limit and from zero nucleation rates at phase equilibria up to the spinodal conditions. Theory predictions have low reliability as a rule. The computational chemistry has chance to make solution of that problem easier when a set of the used axiomatic statements will adapt enough progressive assumptions [1]. Semiempirical design of the nucleation rate surfaces over diagrams of phase equilibria have a potential ability to provide a reasonable quality information on nucleation rate for each channel of nucleation. Consideration and using of the nucleation rate surface topologies to optimize synthesis of a given phase of the target material can be available when data base on nucleation rates over diagrams of phase equilibria will be created.

  5. A quantitative parameter-free prediction of simulated crystal nucleation times

    SciTech Connect

    Aga, Rachel S; Morris, James R; Hoyt, Jeffrey John; Mendelev, Mikhail I.

    2006-01-01

    We present direct comparisons between simulated crystal-nucleation times and theoretical predictions using a model of aluminum, and demonstrate that a quantitative prediction can be made. All relevant thermodynamic properties of the system are known, making the agreement of our simulation data with nucleation theories free of any adjustable parameters. The role of transient nucleation is included in the classical nucleation theory approach, and shown to be necessary to understand the observed nucleation times. The calculations provide an explanation on why nucleation is difficult to observe in simulations at moderate undercoolings. Even when the simulations are significantly larger than the critical nucleus, and when simulation times are sufficiently long, at moderate undercoolings the small concentration of critical nuclei makes the probability of the nucleation low in molecular dynamics simulations.

  6. Ice nucleation in the upper troposphere: Sensitivity to aerosol number density, temperature, and cooling rate

    SciTech Connect

    Jensen, E.J.; Toon, O.B.

    1994-09-01

    We have investigated the processes that control ice crystal nucleation in the upper troposphere using a numerical model. Nucleation of ice resulting from cooling was simulated for a range of aerosol number densities, initial temperatures, and cooling rates. In contrast to observations of stratus clouds, we find that the number of ice crystals that nucleate in cirrus is relatively insensitive to the number of aerosols present. The ice crystal size distribution at the end of the nucleation process is unaffected by the assumed initial aerosol number density. Essentially, nucleation continues until enough ice crystals are present such that their deposition growth rapidly depletes the vapor and shuts off any further nucleation. However, the number of ice crystals nucleated increases rapidly with decreasing initial temperature and increasing cooling rate. This temperature dependence alone could explain the large ice crystal number density observed in very cold tropical cirrus.

  7. Ice nucleation in solutions and freeze-avoiding insects-homogeneous or heterogeneous?

    PubMed

    Zachariassen, Karl Erik; Kristiansen, Erlend; Pedersen, Sindre Andre; Hammel, Harold T

    2004-06-01

    This article challenges the common view that solutions and cold-hardy freeze-avoiding insects always freeze by heterogeneous nucleation. Data are presented to show that the nucleation temperatures of a variety of solutions and freeze-avoiding insects are a function of the water volume as described by the data previously published by Bigg in 1953. The article also points out that the relationships between melting point depression and depression of nucleation temperature are different for samples undergoing homogeneous nucleation and those undergoing heterogeneous nucleation. Aqueous solutions and freeze-avoiding insects display a relationship like that of homogeneously nucleated samples. It is also argued that the identity of the "impurities" assumed to cause heterogeneous nucleation in aqueous solutions and insects is obscure and that the "impurities" have features which make their existence rather unlikely.

  8. Nucleation and growth of cracks in vitreous-bonded aluminum oxide at elevated temperatures

    SciTech Connect

    Jakus, K.; Wiederhorn, S.M.; Hockey, B.J.

    1986-10-01

    The nucleation and growth of cracks was studied at elevated temperatures on a grade of vitreous-bonded aluminium oxide that contained approx. =8 vol% glass at the grain boundaries. Cracks were observed to nucleate within the vitreous phase, close to the tensile surface of the flexural test specimens used in these experiments. Crack nucleation occurred at a strain of approx. =0.08% to 0.12% which corresponded to a crack nucleation time of approx. =35% of the time to failure by creep rupture. Once nucleated, cracks propagated along grain boundaries, as long as the stress for crack propagation was maintained. The crack velocity for cracks that were nucleated by the creep process was found to be linearly proportional to the apparent stress intensity factor, whereas for cracks that were nucleated by indentation, the crack velocity was proportional to the fourth power of the apparent stress intensity factor.

  9. Early nucleation stages of low density InAs quantum dots nucleation on GaAs by MOVPE

    NASA Astrophysics Data System (ADS)

    Torelly, G.; Jakomin, R.; Pinto, L. D.; Pires, M. P.; Ruiz, J.; Caldas, P. G.; Prioli, R.; Xie, H.; Ponce, F. A.; Souza, P. L.

    2016-01-01

    An investigation of ultra-thin InAs layers deposited on GaAs is carried out combining theoretical calculations with results of high-resolution transmission electron microscopy, atomic force microscopy and photoluminescence. Five period InAs/GaAs epilayers were grown by metalorganic vapor phase epitaxy at a very low growth rate, with different InAs deposition times, in order to investigate the morphological and optical evolution from extended 2D InAs flat areas of various thicknesses, starting at 1 monolayer, to the nucleation of 3D InAs islands. The coexistence of extended monolayer-flat 2D terraces of different thicknesses and 3D islands is demonstrated. Optically active InAs 2D terraces with a thickness beyond the critical value are detected. For longer deposition times, quantum dots are nucleated and their size increases at the expense of the 3 monolayer thick 2D layers.

  10. Ice nucleation efficiency of clay minerals in the immersion mode

    NASA Astrophysics Data System (ADS)

    Pinti, V.; Marcolli, C.; Zobrist, B.; Hoyle, C. R.; Peter, T.

    2012-07-01

    Emulsion and bulk freezing experiments were performed to investigate immersion ice nucleation on clay minerals in pure water, using various kaolinites, montmorillonites, illites as well as natural dust from the Hoggar Mountains in the Saharan region. Differential scanning calorimeter measurements were performed on three different kaolinites (KGa-1b, KGa-2 and K-SA), two illites (Illite NX and Illite SE) and four natural and acid-treated montmorillonites (SWy-2, STx-1b, KSF and K-10). The emulsion experiments provide information on the average freezing behaviour characterized by the average nucleation sites. These experiments revealed one to sometimes two distinct heterogeneous freezing peaks, which suggest the presence of a low number of qualitatively distinct average nucleation site classes. We refer to the peak at the lowest temperature as "standard peak" and to the one occurring in only some clay mineral types at higher temperatures as "special peak". Conversely, freezing in bulk samples is not initiated by the average nucleation sites, but by a very low number of "best sites". The kaolinites and montmorillonites showed quite narrow standard peaks with onset temperatures 238 Knucleation efficiencies of dust particles on the basis of freezing onset temperatures from bulk experiments, as has been done in some atmospheric studies, is not appropriate. Our investigations demonstrate that immersion freezing temperatures of clay minerals strongly depend on the amount of clay mineral present per droplet and on

  11. Ice nucleating particles in the Saharan Air Layer

    NASA Astrophysics Data System (ADS)

    Boose, Yvonne; Sierau, Berko; García, M. Isabel; Rodríguez, Sergio; Alastuey, Andrés; Linke, Claudia; Schnaiter, Martin; Kupiszewski, Piotr; Kanji, Zamin A.; Lohmann, Ulrike

    2016-07-01

    This study aims at quantifying the ice nucleation properties of desert dust in the Saharan Air Layer (SAL), the warm, dry and dust-laden layer that expands from North Africa to the Americas. By measuring close to the dust's emission source, before aging processes during the transatlantic advection potentially modify the dust properties, the study fills a gap between in situ measurements of dust ice nucleating particles (INPs) far away from the Sahara and laboratory studies of ground-collected soil. Two months of online INP concentration measurements are presented, which were part of the two CALIMA campaigns at the Izaña observatory in Tenerife, Spain (2373 m a.s.l.), in the summers of 2013 and 2014. INP concentrations were measured in the deposition and condensation mode at temperatures between 233 and 253 K with the Portable Ice Nucleation Chamber (PINC). Additional aerosol information such as bulk chemical composition, concentration of fluorescent biological particles as well as the particle size distribution was used to investigate observed variations in the INP concentration. The concentration of INPs was found to range between 0.2 std L-1 in the deposition mode and up to 2500 std L-1 in the condensation mode at 240 K. It correlates well with the abundance of aluminum, iron, magnesium and manganese (R: 0.43-0.67) and less with that of calcium, sodium or carbonate. These observations are consistent with earlier results from laboratory studies which showed a higher ice nucleation efficiency of certain feldspar and clay minerals compared to other types of mineral dust. We find that an increase of ammonium sulfate, linked to anthropogenic emissions in upwind distant anthropogenic sources, mixed with the desert dust has a small positive effect on the condensation mode INP per dust mass ratio but no effect on the deposition mode INP. Furthermore, the relative abundance of biological particles was found to be significantly higher in INPs compared to the ambient

  12. Earthquake nucleation mechanisms and periodic loading: Models, Experiments, and Observations

    NASA Astrophysics Data System (ADS)

    Dahmen, K.; Brinkman, B.; Tsekenis, G.; Ben-Zion, Y.; Uhl, J.

    2010-12-01

    The project has two main goals: (a) Improve the understanding of how earthquakes are nucleated ¬ with specific focus on seismic response to periodic stresses (such as tidal or seasonal variations) (b) Use the results of (a) to infer on the possible existence of precursory activity before large earthquakes. A number of mechanisms have been proposed for the nucleation of earthquakes, including frictional nucleation (Dieterich 1987) and fracture (Lockner 1999, Beeler 2003). We study the relation between the observed rates of triggered seismicity, the period and amplitude of cyclic loadings and whether the observed seismic activity in response to periodic stresses can be used to identify the correct nucleation mechanism (or combination of mechanisms). A generalized version of the Ben-Zion and Rice model for disordered fault zones and results from related recent studies on dislocation dynamics and magnetization avalanches in slowly magnetized materials are used in the analysis (Ben-Zion et al. 2010; Dahmen et al. 2009). The analysis makes predictions for the statistics of macroscopic failure events of sheared materials in the presence of added cyclic loading, as a function of the period, amplitude, and noise in the system. The employed tools include analytical methods from statistical physics, the theory of phase transitions, and numerical simulations. The results will be compared to laboratory experiments and observations. References: Beeler, N.M., D.A. Lockner (2003). Why earthquakes correlate weakly with the solid Earth tides: effects of periodic stress on the rate and probability of earthquake occurrence. J. Geophys. Res.-Solid Earth 108, 2391-2407. Ben-Zion, Y. (2008). Collective Behavior of Earthquakes and Faults: Continuum-Discrete Transitions, Evolutionary Changes and Corresponding Dynamic Regimes, Rev. Geophysics, 46, RG4006, doi:10.1029/2008RG000260. Ben-Zion, Y., Dahmen, K. A. and J. T. Uhl (2010). A unifying phase diagram for the dynamics of sheared solids

  13. Investigations of Mechanisms Associated with Nucleate Boiling Under Microgravity Conditions

    NASA Technical Reports Server (NTRS)

    Dhir, Vijay K.; Hasan, M.; Chao, David (Technical Monitor)

    2003-01-01

    In this work a building block type of approach is used so that a basic understanding of the processes that contribute to nucleate boiling heat fluxes under microgravity conditions can be developed. This understanding will lead to development of a mechanistic model for nucleate boiling heat transfer which could eventually be used as a design tool in space applications. Task Description Task 1: Fabrication of the Experimental Setup. Under this task, the test section and liquid holding and viewing chambers will be fabricated. Artificial cylinder cavities will be formed on silicon wafers. A single cavity and two or four cavities, with a prescribed spacing and size, will be formed. The desired nucleation wall superheat will be used to determine the size of the mouth of the cavities. Task 2: Experiments. The basic experiments for flow and temperature field around single and multiple (2 or 4 separated or merged bubbles growing on downward facing or inclined surfaces) will be carried out under normal gravity conditions. The experiments will be conducted at one atmosphere pressure, but liquid subcooling will be varied from 0 to 30C. Water and PF-5050 will be used as test liquids. Task 3: Analytical/Numerical Models. In this task, transient temperature and flow field in vapor and liquid will be determined during growth of a single bubble. Analysis will include the evolution of the vapor-liquid interface and development of microlayer underneath the bubbles. For merged bubbles, detailed calculations of flow and temperature field will be carried out for transient shapes of vapor stems supporting a large bubble and the corresponding evaporation rate. Flow and temperature field for a bubble sliding along a heated wall will also be determined. Microgravity conditions will be simulated and a framework of a numerical tool for prediction of nucleate boiling heat fluxes under microgravity conditions will be developed. Task 4: Experiments in a KC-135. To understand bubble growth and

  14. Ice nucleation by soil dust compared to desert dust aerosols

    NASA Astrophysics Data System (ADS)

    Moehler, O.; Steinke, I.; Ullrich, R.; Höhler, K.; Schiebel, T.; Hoose, C.; Funk, R.

    2015-12-01

    A minor fraction of atmospheric aerosol particles, so-called ice-nucleating particles (INPs), initiates the formation of the ice phase in tropospheric clouds and thereby markedly influences the Earth's weather and climate systems. Whether an aerosol particle acts as an INP depends on its size, morphology and chemical compositions. The INP fraction of certain aerosol types also strongly depends on the temperature and the relative humidity. Because both desert dust and soil dust aerosols typically comprise a variety of different particles, it is difficult to assess and predict their contribution to the atmospheric INP abundance. This requires both accurate modelling of the sources and atmospheric distribution of atmospheric dust components and detailed investigations of their ice nucleation activities. The latter can be achieved in laboratory experiments and parameterized for use in weather and climate models as a function of temperature and particle surface area, a parameter called ice-nucleation active site (INAS) density. Concerning ice nucleation activity studies, the soil dust is of particular interest because it contains a significant fraction of organics and biological components, both with the potential for contributing to the atmospheric INP abundance at relatively high temperatures compared to mineral components. First laboratory ice nucleation experiments with a few soil dust samples indicated their INP fraction to be comparable or slightly enhanced to that of desert dust. We have used the AIDA (Aerosol Interaction and Dynamics in the Atmosphere) cloud simulation chamber to study the immersion freezing ability of four different arable soil dusts, sampled in Germany, China and Argentina. For temperatures higher than about -20°C, we found the INP fraction of aerosols generated from these samples by a dry dispersion technique to be significantly higher compared to various desert dust aerosols also investigated in AIDA experiments. In this contribution, we

  15. Freezing activities of flavonoids in solutions containing different ice nucleators.

    PubMed

    Kuwabara, Chikako; Wang, Donghui; Kasuga, Jun; Fukushi, Yukiharu; Arakawa, Keita; Koyama, Toshie; Inada, Takaaki; Fujikawa, Seizo

    2012-06-01

    In this study, we examined the effects on freezing of 26 kinds of flavonoid compounds, which were randomly selected as compounds with structures similar to those of flavonoid compounds existing in deep supercooling xylem parenchyma cells (XPCs) in trees, in solutions containing different kinds of ice nucleators, including the ice nucleation bacterium (INB) Erwinia ananas, INB Xanthomonas campestris, silver iodide, phloroglucinol and unidentified airborne impurities in buffered Milli-Q water (BMQW). Cumulative freezing spectra were obtained in each solution by cooling 2 μL droplets at 0.2 °C/min by a droplet freezing assay. Freezing temperature of 50% droplets (FT(50)) was obtained from each spectra in a separate analysis with more than 20 droplets and mean FT(50) were obtained from more than five separate analyses using more than 100 droplets in total in each flavonoid. Supercooling-promoting activities (SCA) or ice nucleation-enhancing activities (INA) of these flavonoids were determined by the difference in FT(50) between control solutions without flavonoids and experimental solutions with flavonoids. In mean values, most of the compounds examined exhibited SCA in solutions containing the INB E. ananas, INB X. campestris, silver iodide, and phloroglucinol although the magnitudes of their activities were different depending on the ice nucleator. In solutions containing the INB E. ananas, 10 compounds exhibited SCAs with significant differences (p<0.05) in the range of 1.4-4.2 °C. In solutions containing silver iodide, 23 compounds exhibited SCAs with significant differences in the range of 2.0-7.1 °C. In solutions containing phloroglucinol, six compounds exhibited SCAs with significant differences in the range of 2.4-3.5 °C. In solutions containing the INB X. campestris, only three compounds exhibited SCAs with significant differences in the range of 0.9-2.3 °C. In solutions containing unidentified airborne impurities (BMQW alone), on the other hand, many

  16. Nature and evolution of the fusion boundary in ferritic-austenitic dissimilar weld metals. Part 1 -- Nucleation and growth

    SciTech Connect

    Nelson, T.W.; Lippold, J.C.; Mills, M.J.

    1999-10-01

    A fundamental investigation of fusion boundary microstructure evolution in dissimilar-metal welds (DMWs) between ferritic base metals and a face-centered-cubic (FCC) filler metal was conducted. The objective of the work presented here was to characterize the nature and character of the elevated-temperature fusion boundary to determine the nucleation and growth characteristics of DMWs. Type 409 ferritic stainless steel and 1080 pearlitic steel were utilized as base metal substrates, and Monel (70Ni-30Cu) was used as the filler metal. The Type 409 base metal provided a fully ferritic or body-centered-cubic (BCC) substrate at elevated temperatures and exhibited no on-cooling phase transformations to mask or disguise the original character of the fusion boundary. The 1080 pearlitic steel was selected because it is austenitic at the solidus temperature, providing an austenite substrate at the fusion boundary. The weld microstructure generated with each of the base metals in combination with Monel was fully austenitic. In the Type 409/Monel system, there was no evidence of epitaxial nucleation and growth as normally observed in homogeneous weld metal combinations. The fusion boundary in this system exhibited random grain boundary misorientations between the heat-affected zone (HAZ) and weld metal grains. In the 1080/Monel system, evidence of normal epitaxial growth was observed at the fusion boundary, where solidification and HAZ grain boundaries converged. The fusion boundary morphologies are a result of the crystal structure present along the fusion boundary during the initial stages of solidification. Based on the results of this investigation, a model for heterogeneous nucleation along the fusion boundary is proposed when the base and weld metals exhibit ferritic (BCC) and FCC crystal structures, respectively.

  17. Phase field theory of interfaces and crystal nucleation in a eutectic system of fcc structure: I. Transitions in the one-phase liquid region.

    PubMed

    Tóth, Gyula I; Gránásy, László

    2007-08-21

    The phase field theory (PFT) has been applied to predict equilibrium interfacial properties and nucleation barrier in the binary eutectic system Ag-Cu using double well and interpolation functions deduced from a Ginzburg-Landau expansion that considers fcc (face centered cubic) crystal symmetries. The temperature and composition dependent free energies of the liquid and solid phases are taken from CALculation of PHAse Diagrams-type calculations. The model parameters of PFT are fixed so as to recover an interface thickness of approximately 1 nm from molecular dynamics simulations and the interfacial free energies from the experimental dihedral angles available for the pure components. A nontrivial temperature and composition dependence for the equilibrium interfacial free energy is observed. Mapping the possible nucleation pathways, we find that the Ag and Cu rich critical fluctuations compete against each other in the neighborhood of the eutectic composition. The Tolman length is positive and shows a maximum as a function of undercooling. The PFT predictions for the critical undercooling are found to be consistent with experimental results. These results support the view that heterogeneous nucleation took place in the undercooling experiments available at present. We also present calculations using the classical droplet model [classical nucleation theory (CNT)] and a phenomenological diffuse interface theory (DIT). While the predictions of the CNT with a purely entropic interfacial free energy underestimate the critical undercooling, the DIT results appear to be in a reasonable agreement with the PFT predictions.

  18. A parameter-free prediction of simulated crystal nucleation times in the Lennard-Jones system: from the steady-state nucleation to the transient time regime.

    PubMed

    Peng, Lu Jian; Morris, James R; Aga, Rachel S

    2010-08-28

    Large scale simulations of crystal nucleation from the liquid are performed using the Lennard-Jones potential to determine the time required for nucleation. By considering both transient and finite-size effects, we for the first time successfully predict the nucleation time without any parameter fitting in the Lennard-Jones system. All necessary parameters are derived from separate, equilibrium simulations. At small undercoolings, large system size effects are observed. The required system size is not only determined by the size of the critical nuclei, but also the characteristic spacing between them. Two distinct nucleation regions are predicted by theory and observed by the simulations, which are dominated by the transient time and the steady-state nucleation time, respectively.

  19. Phase nucleation and evolution mechanisms in heterogeneous solids

    NASA Astrophysics Data System (ADS)

    Udupa, Anirudh

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

  20. Helmholtz free energy of a phase containing a sparse ensemble of heterophase clusters with application to nucleation theory.

    PubMed

    Tschudi, Hans Rudolf

    2010-03-11

    A decomposition of the Helmholtz free energy of a phase containing a sparse ensemble of heterophase clusters is derived based on classical statistical mechanics and on the general physical characteristics of such systems. It is not assumed that the phase is an ideal gas. The building blocks of this decomposition are the Helmholtz free energies of the constituents (phase and stationary heterophase clusters) and, for every cluster species, a volume V(k)(cm), which is of the magnitude of the thermal fluctuation volume of the center of mass of the stationary cluster containing k monomers. A definition of V(k)(cm) is given in terms of the configuration integrals of the clusters. V(k)(cm) is evaluated for k > 1, with the result that V(k)(cm) is proportional to k(-1/2) and is a function of temperature, the specific volume, and the isothermal compressibility of the phase in the cluster. A thermodynamically consistent expression for the work to form a stationary cluster, which reads as Delta g(k)/(k(B)T) = -ak + (3/2)bk(2/3) + 3ck(1/3) + d, is derived. The coefficients a, b, c, and d depend on the thermodynamic properties of the homogeneous phases, on the surface tension, and on one additional phenomenological material function of temperature and pressure. The description is general and covers a wide class of materials. It is shown that the heterogeneous system represents the thermodynamic equilibrium and not the pure phase without clusters. The resulting expression for the equilibrium particle number, which is different from the one used in classical nucleation theory, is by a standard procedure input for the calculation of the stationary Becker-Döring nucleation rate and entails a correction factor for the classical nucleation rate. Comparison with experiments is provided for nucleation onset measurements of argon and for measurements of the homogeneous nucleation rate of water. Measurements and theory can be brought to match within the limits of experimental precision

  1. Nucleation of protein crystals: critical nuclei, phase behavior, and control pathways

    NASA Astrophysics Data System (ADS)

    Galkin, Oleg; Vekilov, Peter G.

    2001-11-01

    We have studied the nucleation of crystals of the model protein lysozyme using a novel technique that allows direct determinations of homogeneous nucleation rates. At constant temperature of 12.6°C we varied the thermodynamic supersaturation by changing the concentrations of protein and precipitant. We found a broken dependence of the homogeneous nucleation rate on supersaturation that is beyond the predictions of the classical nucleation theory. The nucleation theorem allows us to relate this to discrete changes of the size of the crystal nuclei with increasing supersaturation as (10 or 11)→(4 or 5)→(1 or 2). Furthermore, we observe that the existence of a second liquid phase at high protein concentrations strongly affects crystal nucleation kinetics. We show that the rate of homogeneous nucleation of lysozyme crystals passes through a maximum in the vicinity of the liquid-liquid phase boundary hidden below the liquidus (solubility) line in the phase diagram of the protein solution. We found that glycerol and polyethylene glycol (PEG), which do not specifically bind to proteins, shift this phase boundary and significantly suppress or enhance the crystal nucleation rates, although no simple correlation exists between the action of PEG on the phase diagram and the nucleation kinetics. This provides for a control mechanism which does not require changes in the protein concentration, or the acidity and ionicity of the solution. The effects of the two additives on the phase diagram strongly depend on their concentration and this provides opportunities for further tuning of nucleation rates.

  2. The onset of laboratory earthquakes explained by nucleating rupture on a rate-and-state fault

    NASA Astrophysics Data System (ADS)

    Kaneko, Yoshihiro; Nielsen, Stefan B.; Carpenter, Brett M.

    2016-08-01

    Precursory aseismic slip lasting days to months prior to the initiation of earthquakes has been inferred from seismological observations. Similar precursory slip phenomena have also been observed in laboratory studies of shear rupture nucleation on frictional interfaces. However, the mechanisms that govern rupture nucleation, even in idealized laboratory settings, have been widely debated. Here we show that a numerical model incorporating rate-and-state friction laws and elastic continuum can reproduce the behaviors of rupture nucleation seen in laboratory experiments. In particular, we find that both in laboratory experiments and simulations with a wide range of normal stresses, the nucleation consists of two distinct phases: initial slow propagation phase and faster acceleration phase, both of which are likely aseismic processes, followed by dynamic rupture propagation that radiates seismic waves. The distance at which the rupture transitions from the initial slow phase to the acceleration phase can be roughly predicted by a theoretical estimate of critical nucleation length. Our results further show that the critical nucleation length depends on the background loading rate. In addition, our analysis suggests that critical nucleation length and breakdown power derived from the Griffith crack energy balance control the scaling of nucleating ruptures. Moreover, the background loading rate and loading configuration significantly affect the rupture propagation speed. Furthermore, if the same nucleation mechanism applies to natural faults, the migration speed of foreshocks triggered by the propagation of slow rupture within the nucleation zone would depend on the effective normal stress and hence fluid pressure in the fault zone.

  3. Ice nucleation activity of agricultural soil dust aerosols from Mongolia, Argentina, and Germany

    NASA Astrophysics Data System (ADS)

    Steinke, I.; Funk, R.; Busse, J.; Iturri, A.; Kirchen, S.; Leue, M.; Möhler, O.; Schwartz, T.; Schnaiter, M.; Sierau, B.; Toprak, E.; Ullrich, R.; Ulrich, A.; Hoose, C.; Leisner, T.

    2016-11-01

    Soil dust particles emitted from agricultural areas contain considerable mass fractions of organic material. Also, soil dust particles may act as carriers for potentially ice-active biological particles. In this work, we present ice nucleation experiments conducted in the Aerosol Interaction and Dynamics in the Atmosphere (AIDA) cloud chamber. We investigated the ice nucleation efficiency of four types of soil dust from different regions of the world. The results are expressed as ice nucleation active surface site (INAS) densities and presented for the immersion freezing and the deposition nucleation mode. For immersion freezing occurring at 254 K, samples from Argentina, China, and Germany show ice nucleation efficiencies which are by a factor of 10 higher than desert dusts. On average, the difference in ice nucleation efficiencies between agricultural and desert dusts becomes significantly smaller at temperatures below 247 K. In the deposition mode the soil dusts showed higher ice nucleation activity than Arizona Test Dust over a temperature range between 232 and 248 K and humidities RHice up to 125%. INAS densities varied between 109 and 1011 m-2 for these thermodynamic conditions. For one soil dust sample (Argentinian Soil), the effect of treatments with heat was investigated. Heat treatments (383 K) did not affect the ice nucleation efficiency observed at 249 K. This finding presumably excludes proteinaceous ice-nucleating entities as the only source of the increased ice nucleation efficiency.

  4. Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation

    NASA Astrophysics Data System (ADS)

    Šarić, Andela; Michaels, Thomas C. T.; Zaccone, Alessio; Knowles, Tuomas P. J.; Frenkel, Daan

    2016-12-01

    Nucleation processes are at the heart of a large number of phenomena, from cloud formation to protein crystallization. A recently emerging area where nucleation is highly relevant is the initiation of filamentous protein self-assembly, a process that has broad implications in many research areas ranging from medicine to nanotechnology. As such, spontaneous nucleation of protein fibrils has received much attention in recent years with many theoretical and experimental studies focussing on the underlying physical principles. In this paper we make a step forward in this direction and explore the early time behaviour of filamentous protein growth in the context of nucleation theory. We first provide an overview of the thermodynamics and kinetics of spontaneous nucleation of protein filaments in the presence of one relevant degree of freedom, namely the cluster size. In this case, we review how key kinetic observables, such as the reaction order of spontaneous nucleation, are directly related to the physical size of the critical nucleus. We then focus on the increasingly prominent case of filament nucleation that includes a conformational conversion of the nucleating building-block as an additional slow step in the nucleation process. Using computer simulations, we study the concentration dependence of the nucleation rate. We find that, under these circumstances, the reaction order of spontaneous nucleation with respect to the free monomer does no longer relate to the overall physical size of the nucleating aggregate but rather to the portion of the aggregate that actively participates in the conformational conversion. Our results thus provide a novel interpretation of the common kinetic descriptors of protein filament formation, including the reaction order of the nucleation step or the scaling exponent of lag times, and put into perspective current theoretical descriptions of protein aggregation.

  5. Nucleation mechanisms of refined alpha microstructure in beta titanium alloys

    NASA Astrophysics Data System (ADS)

    Zheng, Yufeng

    Due to a great combination of physical and mechanical properties, beta titanium alloys have become promising candidates in the field of chemical industry, aerospace and biomedical materials. The microstructure of beta titanium alloys is the governing factor that determines their properties and performances, especially the size scale, distribution and volume fraction of precipitate phase in parent phase matrix. Therefore in order to enhance the performance of beta titanium alloys, it is critical to obtain a thorough understanding of microstructural evolution in beta titanium alloys upon various thermal and/or mechanical processes. The present work is focusing on the study of nucleation mechanisms of refined alpha microstructure and super-refined alpha microstructure in beta titanium alloys in order to study the influence of instabilities within parent phase matrix on precipitates nucleation, including compositional instabilities and/or structural instabilities. The current study is primarily conducted in Ti-5Al-5Mo-5V-3Cr (wt%, Ti-5553), a commercial material for aerospace application. Refined and super-refined precipitates microstructure in Ti-5553 are obtained under specific accurate temperature controlled heat treatments. The characteristics of either microstructure are investigated in details using various characterization techniques, such as SEM, TEM, STEM, HRSTEM and 3D atom probe to describe the features of microstructure in the aspect of morphology, distribution, structure and composition. Nucleation mechanisms of refined and super-refined precipitates are proposed in order to fully explain the features of different precipitates microstructure in Ti-5553. The necessary thermodynamic conditions and detailed process of phase transformations are introduced. In order to verify the reliability of proposed nucleation mechanisms, thermodynamic calculation and phase field modeling simulation are accomplished using the database of simple binary Ti-Mo system

  6. Ice nucleation activity in the widespread soil fungus Mortierella alpina

    NASA Astrophysics Data System (ADS)

    Fröhlich-Nowoisky, Janine; Hill, Thomas C. J.; Pummer, Bernhard G.; Yordanova, Petya; Franc, Gary D.; Pöschl, Ulrich

    2015-04-01

    Biological residues in soil dust are a potentially strong source of atmospheric ice nucleators (IN). However, the sources and characteristics of biological - in particular, fungal - IN in soil dust have not been characterized. By analysis of the culturable fungi in topsoils, from a range of different land use and ecosystem types in south-east Wyoming, we found ice nucleation active (INA, i.e., inducing ice formation in the probed range of temperature and concentration) fungi to be both widespread and abundant, particularly in soils with recent inputs of decomposable organic matter. For example, in harvested and ploughed sugar beet and potato fields, and in the organic horizon beneath Lodgepole pine forest, their relative abundances and concentrations among the cultivable fungi were 25% (8 x 103 CFU g-1), 17% (4.8 x 103 CFU g-1) and 17% (4 x 103 CFU g-1), respectively. Across all investigated soils, 8% (2.9 x 103 CFU g-1) of fungal isolates were INA. All INA isolates initiated freezing at -5° C to -6° C and all belonged to a single zygomycotic species, Mortierella alpina (Mortierellales, Mortierellomycotina). By contrast, the handful of fungal species so far reported as INA all belong within the Ascomycota or Basidiomycota phyla. Mortierella alpina is known to be saprobic (utilizing non-living organic matter), widespread in soil and present in air and rain. Sequencing of the ITS region and the gene for γ-linolenic elongase revealed four distinct clades, affiliated to different soil types. The IN produced by M. alpina seem to be extracellular proteins of 100-300 kDa in size which are not anchored in the fungal cell wall. Ice nucleating fungal mycelium will ramify topsoils and probably also release cell-free IN into it. If these IN survive decomposition or are adsorbed onto mineral surfaces, these small cell-free IN might contribute to the as yet uncharacterized pool of atmospheric IN released by soils as dusts.

  7. Molecular dynamics simulations of bubble nucleation in dark matter detectors.

    PubMed

    Denzel, Philipp; Diemand, Jürg; Angélil, Raymond

    2016-01-01

    Bubble chambers and droplet detectors used in dosimetry and dark matter particle search experiments use a superheated metastable liquid in which nuclear recoils trigger bubble nucleation. This process is described by the classical heat spike model of F. Seitz [Phys. Fluids (1958-1988) 1, 2 (1958)PFLDAS0031-917110.1063/1.1724333], which uses classical nucleation theory to estimate the amount and the localization of the deposited energy required for bubble formation. Here we report on direct molecular dynamics simulations of heat-spike-induced bubble formation. They allow us to test the nanoscale process described in the classical heat spike model. 40 simulations were performed, each containing about 20 million atoms, which interact by a truncated force-shifted Lennard-Jones potential. We find that the energy per length unit needed for bubble nucleation agrees quite well with theoretical predictions, but the allowed spike length and the required total energy are about twice as large as predicted. This could be explained by the rapid energy diffusion measured in the simulation: contrary to the assumption in the classical model, we observe significantly faster heat diffusion than the bubble formation time scale. Finally we examine α-particle tracks, which are much longer than those of neutrons and potential dark matter particles. Empirically, α events were recently found to result in louder acoustic signals than neutron events. This distinction is crucial for the background rejection in dark matter searches. We show that a large number of individual bubbles can form along an α track, which explains the observed larger acoustic amplitudes.

  8. Effect of surface properties on nucleate pool boiling

    SciTech Connect

    Haze, Ikuya; Tomemori, Hideki; Motoya, Daiju; Osakabe, Masahiro

    1999-07-01

    A series of experiments on nucleate pool boiling was performed by use of an oxygen-free copper rod and platinum wires of different surface properties under both normal gravity condition and microgravity condition. As a result of the experiments, under normal gravity condition, the bubbling on thick cracked silicone-coated surfaces and that on scale surfaces were more vigorous than that on mirror-finished (copper) surfaces, that on bare (Pt) surfaces, that on thin silicone-coated surfaces and that on thick silicone-coated surfaces. The boiling curves on the mirror-finished surface, the bare surface, the thin silicone-coated surface and the thick cracked silicone-coated surface were equal to those predicted by the Rohsenow's correlation. The superheats on the thick silicone-coated surface and the scale surface were larger than those predicted by the Rohsenow's correlation. The boiling curves on the non-cracked silicone-coated surface and the scale surface corrected by those heat resistance were equal to those predicted by the Rohsenow's correlation. The superheat on the thick silicone-coated surface corrected by its heat resistance was smaller than that predicted by the Rohsenow's correlation. The thick cracked silicone-coated surface enhanced the nucleate boiling heat transfer. On the other hand, under microgravity condition, the bubbles stayed around heated surfaces except scale surfaces. The boiling curve on the bare surface under microgravity condition was equal to that under normal gravity condition. The effect of surface properties on the nucleate boiling heat transfer under microgravity condition was equal to that under normal gravity condition.

  9. Macrosegregation and nucleation in undercooled Pb-Sn alloys

    NASA Technical Reports Server (NTRS)

    Degroh, Henry C., III

    1989-01-01

    A novel technique resulting in large undercoolings in bulk samples (23 g) of lead-tin alloys was developed. Samples of Pb-12.5 wt percent Sn, Pb-61.9 wt.% Sn, and Pb-77 wt.% Sn were processed with undercoolings ranging from 4 to 34 K and with cooling rates varying between 0.04 and 4 K/s. The nucleation behavior of the Pb-Sn system was found to be nonreciprocal. The solid Sn phase effectively nucleated the Pb phase of the eutectic; however, large undercoolings developed in Sn-rich eutectic liquid in the presence of the solid Pb phase. This phenomenon is believed to be mainly the result of differences in interfacial energies between solid Sn-eutectic liquid, and solid Pb-eutectic liquid rather than lattice misfit between Pb and Sn. Large amounts of segregation developed in the highly undercooled eutectic ingots. This macrosegregation was found to increase as undercooling increases. Macrosegregation in these undercooled eutectic alloys was found to be primarily due to a sink/float mechanism and the nucleation behavior of the alloy. Lead-rich dendrites are the primary phase in the undercooled eutectic system. These dendrites grow rapidly into the undercooled bath and soon break apart due to recalescence and Sn enrichment of the liquid. These fragmented Pb dendrites are then free to settle to the bottom portion of the ingot causing the macrosegregation observed in this study. A eutectic Pb-Sn alloy undercooled 20 K and cooled at 4 K/s had a composition of about Pb-72 wt.% Sn at the top and 55% Sn at the bottom.

  10. Macrosegregation and nucleation in undercooled Pb-Sn alloys

    NASA Technical Reports Server (NTRS)

    Degroh, Henry C., III

    1989-01-01

    A technique resulting in large undercoolings in bulk samples (23g) of lead-tin alloys was developed. Samples of Pb-12.5 wt percent Sn, Pb-61 wt percent Sn, and Pb-77 wt percent Sn were processed with undercoolings ranging from 4 to 34 K and with cooling rates varying between 0.04 and 4 K/sec. The nucleation behavior of the Pb-Sn system was found to be nonreciprocal. The solid Sn phase effectively nucleated the Pb phase of the eutectic; however, large undercoolings developed in Sn-rich eutectic liquid in the presence of the solid Pb phase. This phenomenon is believed to be mainly the result of differences in interfacial energies between solid Sn-eutectic liquid, and solid Pb-eutectic liquid rather than lattice misfit between Pb and Sn. Large amounts of segregation developed in the highly undercooled eutectic ingots. This macrosegregation was found to increase as undercooling increases. Macrosegregation in these undercooled eutectic alloys was found to be primarily due to a sink/float mechanism and the nucleation behavior of the alloy. Lead-rich dendrites are the primary phase in the undercooled eutectic system. These dendrites grow rapidly into the undercooled bath and soon break apart due to recalescence and Sn enrichment of the liquid. These fragmented Pb dendrites are then free to settle to the bottom portion of the ingot causing the macrosegregation observed in this study. A eutectic Pb-Sn alloy undercooled 20 K and cooled at 4 K/sec had a composition of about Pb-72 wt percent Sn at the top and 55 percent Sn at the bottom.

  11. Nucleation of metastable aragonite CaCO3 in seawater

    PubMed Central

    Sun, Wenhao; Jayaraman, Saivenkataraman; Chen, Wei; Persson, Kristin A.; Ceder, Gerbrand

    2015-01-01

    Predicting the conditions in which a compound adopts a metastable structure when it crystallizes out of solution is an unsolved and fundamental problem in materials synthesis, and one which, if understood and harnessed, could enable the rational design of synthesis pathways toward or away from metastable structures. Crystallization of metastable phases is particularly accessible via low-temperature solution-based routes, such as chimie douce and hydrothermal synthesis, but although the chemistry of the solution plays a crucial role in governing which polymorph forms, how it does so is poorly understood. Here, we demonstrate an ab initio technique to quantify thermodynamic parameters of surfaces and bulks in equilibrium with an aqueous environment, enabling the calculation of nucleation barriers of competing polymorphs as a function of solution chemistry, thereby predicting the solution conditions governing polymorph selection. We apply this approach to resolve the long-standing “calcite–aragonite problem”––the observation that calcium carbonate precipitates as the metastable aragonite polymorph in marine environments, rather than the stable phase calcite––which is of tremendous relevance to biomineralization, carbon sequestration, paleogeochemistry, and the vulnerability of marine life to ocean acidification. We identify a direct relationship between the calcite surface energy and solution Mg–Ca ion concentrations, showing that the calcite nucleation barrier surpasses that of metastable aragonite in solutions with Mg:Ca ratios consistent with modern seawater, allowing aragonite to dominate the kinetics of nucleation. Our ability to quantify how solution parameters distinguish between polymorphs marks an important step toward the ab initio prediction of materials synthesis pathways in solution. PMID:25739963

  12. Molecular dynamics simulations of bubble nucleation in dark matter detectors

    NASA Astrophysics Data System (ADS)

    Denzel, Philipp; Diemand, Jürg; Angélil, Raymond

    2016-01-01

    Bubble chambers and droplet detectors used in dosimetry and dark matter particle search experiments use a superheated metastable liquid in which nuclear recoils trigger bubble nucleation. This process is described by the classical heat spike model of F. Seitz [Phys. Fluids (1958-1988) 1, 2 (1958), 10.1063/1.1724333], which uses classical nucleation theory to estimate the amount and the localization of the deposited energy required for bubble formation. Here we report on direct molecular dynamics simulations of heat-spike-induced bubble formation. They allow us to test the nanoscale process described in the classical heat spike model. 40 simulations were performed, each containing about 20 million atoms, which interact by a truncated force-shifted Lennard-Jones potential. We find that the energy per length unit needed for bubble nucleation agrees quite well with theoretical predictions, but the allowed spike length and the required total energy are about twice as large as predicted. This could be explained by the rapid energy diffusion measured in the simulation: contrary to the assumption in the classical model, we observe significantly faster heat diffusion than the bubble formation time scale. Finally we examine α -particle tracks, which are much longer than those of neutrons and potential dark matter particles. Empirically, α events were recently found to result in louder acoustic signals than neutron events. This distinction is crucial for the background rejection in dark matter searches. We show that a large number of individual bubbles can form along an α track, which explains the observed larger acoustic amplitudes.

  13. Investigation of Nucleate Boiling Mechanisms Under Microgravity Conditions

    NASA Technical Reports Server (NTRS)

    Dhir, V. K.; Qiu, D. M.; Ramanujapu, N.; Hasan, M. M.

    1999-01-01

    The present work is aimed at the experimental studies and numerical modeling of the bubble growth mechanisms of a single bubble attached to a heating surface and of a bubble sliding along an inclined heated plate. Single artificial cavity of 10 microns in diameter was made on the polished Silicon wafer which was electrically heated at the back side in order to control the surface nucleation superheat. Experiments with a sliding bubble were conducted at different inclination angles of the downward facing heated surface for the purpose of studying the effect of magnitude of components of gravity acting parallel to and normal to the heat transfer surface. Information on the bubble shape and size, the bubble induced liquid velocities as well as the surface temperature were obtained using the high speed imaging and hydrogen bubble techniques. Analytical/numerical models were developed to describe the heat transfer through the micro-macro layer underneath and around a bubble formed at a nucleation site. In the micro layer model the capillary and disjoining pressures were included. Evolution of the bubble-liquid interface along with induced liquid motion was modeled. As a follow-up to the studies at normal gravity, experiments are being conducted in the KC-135 aircraft to understand the bubble growth/detachment under low gravity conditions. Experiments have been defined to be performed under long duration of microgravity conditions in the space shuttle. The experiment in the space shuttle will provide bubble growth and detachment data at microgravity and will lead to validation of the nucleate boiling heat transfer model developed from the preceding studies conducted at normal and low gravity (KC-135) conditions.

  14. Nucleation of metastable aragonite CaCO3 in seawater.

    PubMed

    Sun, Wenhao; Jayaraman, Saivenkataraman; Chen, Wei; Persson, Kristin A; Ceder, Gerbrand

    2015-03-17

    Predicting the conditions in which a compound adopts a metastable structure when it crystallizes out of solution is an unsolved and fundamental problem in materials synthesis, and one which, if understood and harnessed, could enable the rational design of synthesis pathways toward or away from metastable structures. Crystallization of metastable phases is particularly accessible via low-temperature solution-based routes, such as chimie douce and hydrothermal synthesis, but although the chemistry of the solution plays a crucial role in governing which polymorph forms, how it does so is poorly understood. Here, we demonstrate an ab initio technique to quantify thermodynamic parameters of surfaces and bulks in equilibrium with an aqueous environment, enabling the calculation of nucleation barriers of competing polymorphs as a function of solution chemistry, thereby predicting the solution conditions governing polymorph selection. We apply this approach to resolve the long-standing "calcite-aragonite problem"--the observation that calcium carbonate precipitates as the metastable aragonite polymorph in marine environments, rather than the stable phase calcite--which is of tremendous relevance to biomineralization, carbon sequestration, paleogeochemistry, and the vulnerability of marine life to ocean acidification. We identify a direct relationship between the calcite surface energy and solution Mg:Ca [corrected] ion concentrations, showing that the calcite nucleation barrier surpasses that of metastable aragonite in solutions with Mg:Ca ratios consistent with modern seawater, allowing aragonite to dominate the kinetics of nucleation. Our ability to quantify how solution parameters distinguish between polymorphs marks an important step toward the ab initio prediction of materials synthesis pathways in solution.

  15. Binary nucleation kinetics. I. Self-consistent size distribution

    SciTech Connect

    Wilemski, G.; Wyslouzil, B.E. ||

    1995-07-15

    Using the principle of detailed balance, we derive a new self-consistency requirement, termed the kinetic product rule, relating the evaporation coefficients and equilibrium cluster distribution for a binary system. We use this result to demonstrate and resolve an inconsistency for an idealized Kelvin model of nucleation in a simple binary mixture. We next examine several common forms for the equilibrium distribution of binary clusters based on the capillarity approximation and ideal vapor behavior. We point out fundamental deficiencies for each expression. We also show that each distribution yields evaporation coefficients that formally satisfy the new kinetic product rule but are physically unsatisfactory because they depend on the monomer vapor concentrations. We then propose a new form of the binary distribution function that is free of the deficiencies of the previous functions except for its reliance on the capillarity approximation. This new self-consistent classical (SCC) size distribution for binary clusters has the following properties: It satisfies the law of mass action; it reduces to an SCC unary distribution for clusters of a single component; and it produces physically acceptable evaporation rate coefficients that also satisfy the new kinetic product rule. Since it is possible to construct other examples of similarly well-behaved distributions, our result is not unique in this respect, but it does give reasonable predictions. As an illustration, we calculate binary nucleation rates and vapor activities for the ethanol--hexanol system at 260 K using the new SCC distribution and compare them to experimental results. The theoretical rates are uniformly higher than the experimental values over the entire vapor composition range. Although the predicted activities are lower, we find good agreement between the measured and theoretical slope of the critical vapor activity curve at a constant nucleation rate of 10{sup 7} cm{sup {minus}3} s{sup {minus}2}.

  16. Characterization of Ice Nucleating Particles at the Western US Coast

    NASA Astrophysics Data System (ADS)

    Rocci, K.; McCluskey, C. S.; Hill, T. C. J.; DeMott, P. J.; Kreidenweis, S. M.

    2015-12-01

    In temperate climates, ice nucleating particles (INPs) are vital for precipitation initiation. Because INPs may affect precipitation efficiency, and thereby the supply of water resources, it is paramount to have a clear understanding of both natural and anthropogenic sources of INPs. This is especially important to understand in California where drought continues to be a major problem. The CalWater 2015 field campaign, which took place in California from January 15 - March 9, 2015, included comprehensive characterizations of aerosols and their ice nucleating ability via ground-, air-, and ship-based measurements. As part of this campaign, we characterized and analyzed the intra-air mass differences of INPs at a coastal site (Bodega Bay) using immersion freezing measurements of particles collected on filters. Aerosol filters collected throughout the campaign were characterized by their loading and dominant type using meteorology, aerosol size distributions, aerosol composition, and trace gas concentration data. Samples contained a variety of aerosol influences, including biomass burning, nitrogen pollution, sulfur pollution, and sea spray. This study had a particular focus on the INP activity spectra of sea spray aerosol (SSA). We used the online aerosol data to infer variations in SSA types and heat-treated specific samples to look for the presence of heat-labile biological INPs. Furthermore, we ran the NOAA HYSPLIT model to obtain back trajectories for samples dominated by SSA. We found that air masses dominated by distinct terrestrial source types are not well distinguished by their INP number concentrations. However, we did see significantly higher (up to 5000-fold) INP number concentrations in SSA samples taken at the coast compared with number concentrations in samples obtained over open ocean. This difference could be attributable to differences in overall aerosol abundance, which will be evaluated in future studies. Overall, our findings suggest that an

  17. The Isolated Bubble Regime in Pool Nucleate Boiling

    NASA Technical Reports Server (NTRS)

    Buyevich, Y. A.; Webbon, Bruce W.; Callaway, Robert (Technical Monitor)

    1995-01-01

    We consider an isolated bubble boiling regime in which vapour bubbles are intermittently produced at a prearranged set of nucleation site on an upward facing overheated wall plane. In this boiling regime, the bubbles depart from the wall and move as separate entities. Except in the matter of rise velocity, the bubbles do not interfere and are independent of one another. However, the rise velocity is dependent on bubble volume concentration in the bulk. Heat transfer properties specific to this regime cannot be described without bubble detachment size, and we apply our previously developed dynamic theory of vapour bubble growth and detachment to determine this size. Bubble growth is presumed to be thermally controlled. Two limiting cases of bubble evolution are considered: the one in which buoyancy prevails in promoting bubble detachment and the one in which surface tension prevails. We prove termination of the isolated regime of pool nucleate boiling to result from one of the four possible causes, depending on relevant parameters values. The first cause consists in the fact that the upward flow of rising bubbles hampers the downward liquid flow, and under certain conditions, prevents the liquid from coming to the wall in an amount that would be sufficient to compensate for vapour removal from the wall. The second cause is due to the lateral coalescence of growing bubbles that are attached to their corresponding nucleation sites, with ensuing generation of larger bubbles and extended vapour patches near the wall. The other two causes involve longitudinal coalescence either 1) immediately in the wall vicinity, accompanied by the establishment of the multiple bubble boiling regime, or 2) in the bulk, with the formation of vapour columns. The longitudinal coalescence in the bulk is shown to be the most important cause. The critical wall temperature and the heat flux density associated with isolated bubble regime termination are found to be functions of the physical and

  18. Sources of organic ice nucleating particles in soils

    NASA Astrophysics Data System (ADS)

    Hill, Tom C. J.; DeMott, Paul J.; Tobo, Yutaka; Fröhlich-Nowoisky, Janine; Moffett, Bruce F.; Franc, Gary D.; Kreidenweis, Sonia M.

    2016-06-01

    Soil organic matter (SOM) may be a significant source of atmospheric ice nucleating particles (INPs), especially of those active > -15 °C. However, due to both a lack of investigations and the complexity of the SOM itself, the identities of these INPs remain unknown. To more comprehensively characterize organic INPs we tested locally representative soils in Wyoming and Colorado for total organic INPs, INPs in the heat-labile fraction, ice nucleating (IN) bacteria, IN fungi, IN fulvic and humic acids, IN plant tissue, and ice nucleation by monolayers of aliphatic alcohols. All soils contained ≈ 106 to ≈ 5 × 107 INPs g-1 dry soil active at -10 °C. Removal of SOM with H2O2 removed ≥ 99 % of INPs active > -18 °C (the limit of testing), while heating of soil suspensions to 105 °C showed that labile INPs increasingly predominated > -12 °C and comprised ≥ 90 % of INPs active > -9 °C. Papain protease, which inactivates IN proteins produced by the fungus Mortierella alpina, common in the region's soils, lowered INPs active at ≥ -11 °C by ≥ 75 % in two arable soils and in sagebrush shrubland soil. By contrast, lysozyme, which digests bacterial cell walls, only reduced INPs active at ≥ -7.5 or ≥ -6 °C, depending on the soil. The known IN bacteria were not detected in any soil, using PCR for the ina gene that codes for the active protein. We directly isolated and photographed two INPs from soil, using repeated cycles of freeze testing and subdivision of droplets of dilute soil suspensions; they were complex and apparently organic entities. Ice nucleation activity was not affected by digestion of Proteinase K-susceptible proteins or the removal of entities composed of fulvic and humic acids, sterols, or aliphatic alcohol monolayers. Organic INPs active colder than -10 to -12 °C were resistant to all investigations other than heat, oxidation with H2O2, and, for some, digestion with papain. They may originate from decomposing plant material, microbial

  19. Controlling the Solidification of Organic Photovoltaic Blends with Nucleating Agents

    NASA Astrophysics Data System (ADS)

    Nekuda Malik, Jennifer A.; Treat, Neil D.; Abdelsamie, Maged; Yu, Liyang; Li, Ruipeng; Smilgies, Detlef-M.; Amassian, Aram; Hawker, Craig J.; Chabinyc, Michael L.; Stingelin, Natalie

    2014-11-01

    Blending fullerenes with a donor polymer for the fabrication of organic solar cells often leads to at least partial vitrification of one, if not both, components. For prototypical poly(3-hexylthiophene):fullerene blend, we show that the addition of a commercial nucleating agent, di(3,4-dimethyl benzylidene)sorbitol, to such binary blends accelerates the crystallization of the donor, resulting in an increase in its degree of crystallinity in as-cast structures. This allows manipulation of the extent of intermixing/ phase separation of the donor and acceptor directly from solution, offering a tool to improve device characteristics such as power conversion efficiency.

  20. An assessment of warm fog: Nucleation, control, and recommended research

    NASA Technical Reports Server (NTRS)

    Corrin, M. L.; Connell, J. R.; Gero, A. J.

    1974-01-01

    A state-of-the-art survey is given of warm fog research which has been performed up to, and including, 1974. Topics covered are nucleation, growth, coalescence, fog structures and visibility, effects of surface films, drop size spectrum, optical properties, instrumentation, liquid water content, condensation nuclei. Included is a summary of all reported fog modification experiments. Additional data is provided on air flow, turbulence, a summary of recommendations on instruments to be developed for determining turbulence, air flow, etc., as well as recommendations of various fog research tasks which should be performed for a better understanding of fog microphysics.

  1. Peculiarities of plastic deformation nucleation in copper under nanoindentation

    SciTech Connect

    Kryzhevich, Dmitrij S. Korchuganov, Aleksandr V.; Zolnikov, Konstantin P.; Psakhie, Sergey G.

    2015-10-27

    The computer simulation results on the atomic structure of the copper crystallite and its behavior in nanoindentation demonstrate the key role of local structural transformations in nucleation of plasticity. The generation of local structural transformations can be considered as an elementary event during the formation of higher scale defects, including partial dislocations and stacking faults. The cause for local structural transformations, both direct fcc-hcp and reverse hcp-fcc, is an abrupt local increase in atomic volume. A characteristic feature is that the values of local volume jumps in direct and reverse structural transformations are comparable with that in melting and lie in the range 5–7%.

  2. Nucleate Pool Boiling Experiments (NPBX) on the International Space Station

    NASA Astrophysics Data System (ADS)

    Dhir, Vijay Kumar; Warrier, Gopinath R.; Aktinol, Eduardo; Chao, David; Eggers, Jeffery; Sheredy, William; Booth, Wendell

    2012-11-01

    During the period of March-May 2011, a series of boiling experiments was carried out in the Boiling Experimental Facility (BXF) located in the Microgravity Science Glovebox (MSG) of the International Space Station (ISS). The BXF Facility was carried to ISS on Space Shuttle Mission STS-133 on February 24, 2011. Nucleate Pool Boiling Experiment (NPBX) was one of the two experiments housed in the BXF. Results of experiments on single bubble dynamics (e.g., inception and growth), multiple bubble dynamics (lateral merger and departure, if any), nucleate pool boiling heat transfer, and critical heat flux are described. In the experiments Perfluoro-n-hexane was used as the test liquid. The system pressure was varied from 51 to 243 kPa, pool temperature was varied from 30° to 59°C, and test surface temperature was varied from 40° to 80°C. The test surface was a polished aluminum disc (1 mm thick, 89.5 mm in diameter) heated from below with strain gage heaters. Five cylindrical cavities were formed on the surface with four cavities located at the corners of a square and one in the middle. During experiments the magnitude of mean gravity level normal to the heater surface varied from 1.2 × 10 - 7g e to 6 × 10 - 7g e . The results of the experiments show that a single bubble continues to grow to occupy the size of the chamber without departing from the heater surface. During lateral merger of bubbles, at high superheats a large bubble may lift off from the surface but continues to hover near the surface. Neighboring bubbles are continuously pulled into the large bubble. At low superheats bubbles at neighboring sites simply merge to yield a larger bubble. The larger bubble mostly locates in the middle of the heated surface and serves as a vapor sink. The latter mode continues to persist when boiling is occurring all over the heater surface. Heat fluxes for steady state nucleate boiling and critical heat fluxes are found to be much lower than those obtained under earth

  3. The activation energy for dislocation nucleation at a crack

    NASA Astrophysics Data System (ADS)

    Rice, James R.; Beltz, Glenn E.

    1994-02-01

    T HE ACTIVATION energy for dislocation nucleation from a stressed crack tip is calculated within the Peierls framework, in which a periodic shear stress vs displacement relation is assumed to hold on a slip plane emanating from the crack tip. Previous results have revealed that the critical G (energy release rate corresponding to the "screened" crack tip stress field) for dislocation nucleation scales with γ us (the unstable stacking energy), in an analysis which neglects any coupling between tension and shear along the slip plane. That analysis represents instantaneous nucleation and takes thermal effects into account only via the weak temperature dependence of the elastic constants. In this work, the energy required to thermally activate a stable, incipient dislocation into its unstable "saddle-point" configuration is directly calculated for loads less than that critical value. We do so only with the simplest case, for which the slip plane is a prolongation of the crack plane. A first calculation reported is 2D in nature, and hence reveals an activation energy per unit length. A more realistic scheme for thermal activation involves the emission of a dislocation loop, an inherently 3D phenomenon. Asymptotic calculations of the activation energy for loads close to the critical load are performed in 2D and in 3D. It is found that the 3D activation energy generally corresponds to the 2D activation energy per unit length multiplied by about 5-10 Burgers vectors (but by as many as 17 very near to the critical loading). Implications for the emission of dislocations in copper, α-iron, and silicon at elevated temperature are discussed. The effects of thermal activation are very significant in lowering the load for emission. Also, the appropriate activation energy to correspond to molecular dynamics simulations of crack tips is discussed. Such simulations, as typically carried out with only a few atomic planes in a periodic repeat direction parallel to the crack tip, are

  4. Nucleation of Quantized Vortices from Rotating Superfluid Drops

    NASA Technical Reports Server (NTRS)

    Donnelly, Russell J.

    2001-01-01

    The long-term goal of this project is to study the nucleation of quantized vortices in helium II by investigating the behavior of rotating droplets of helium II in a reduced gravity environment. The objective of this ground-based research grant was to develop new experimental techniques to aid in accomplishing that goal. The development of an electrostatic levitator for superfluid helium, described below, and the successful suspension of charged superfluid drops in modest electric fields was the primary focus of this work. Other key technologies of general low temperature use were developed and are also discussed.

  5. Dendritic Actin Filament Nucleation Causes Traveling Waves and Patches

    PubMed Central

    Carlsson, Anders E

    2010-01-01

    The polymerization of actin via branching at a cell membrane containing nucleation-promoting factors (NPFs) is simulated using a stochastic-growth methodology. The polymerized-actin distribution displays three types of behavior: a) traveling waves, b) moving patches, and c) random fluctuations. Increasing actin concentration causes a transition from patches to waves. The waves and patches move by a treadmilling mechanism which does not require myosin II. The effects of downregulation of key proteins on actin wave behavior are evaluated. PMID:20867207

  6. Theory of homogeneous nucleation - A chemical kinetic view

    NASA Technical Reports Server (NTRS)

    Yang, C. H.; Qiu, H.

    1986-01-01

    A simple function with two undetermined parameters has been used in place of the Thomson-Gibbs relation to relate the activation energy of the vaporization reaction to cluster size. The parameters are iterated to assume optimum values in numerical computation so experimental data may be correlated. Calculations show this approach closely predicts and correlates available data for water, benzene, and ethanol. The nucleation formulism is redeveloped with an emphasis on the chemical kinetic view. Surface tension of the liquid and free energy of droplet formation are not used in its derivation.

  7. Nucleation of Vortices in Superconductors in Confined Geometries

    NASA Astrophysics Data System (ADS)

    Wu, W. M.; Sobnack, M. B.; Kusmartsev, F. V.

    2008-06-01

    We investigate the nucleation of vortices in a small superconducting disk. We formulate the Gibbs free energy of the disk with an arbitrary number of vortices (arranged in rings concentric with the disk) as a function of temperature and applied magnetic field and minimize the energy to obtain the optimal position of vortices for different applied fields and temperatures. We also analyze the stability of the different vortex states inside the disk and compare our results with those of other theoretical studies and with available experimental observations. Our results are in very good agreement with experiments.

  8. Heterogeneous Nucleation of Naphthalene Vapor on Water Surface

    PubMed

    Smolík; Schwarz

    1997-01-15

    The evaporation of a water drop into a ternary gaseous mixture of air, steam, and naphthalene vapor was investigated. The experimental results were compared with a theoretical prediction based on a numerical solution of coupled boundary layer equations for heat and mass transfer from a drop moving in ternary gas. In the experiments the naphthalene vapor condensed on the water drop as a supercooled liquid even at temperatures far below the melting point of naphthalene. The condensation on drop surface is discussed in terms of classical theory of heterogeneous nucleation on smooth surfaces.

  9. A New Theory of Nucleate Pool Boiling in Arbitrary Gravity

    NASA Technical Reports Server (NTRS)

    Buyevich, Y. A.; Webbon, Bruce W.

    1995-01-01

    Heat transfer rates specific to nucleate pool boiling under various conditions are determined by the dynamics of vapour bubbles that are originated and grow at nucleation sites of a superheated surface. A new dynamic theory of these bubbles has been recently developed on the basis of the thermodynamics of irreversible processes. In contrast to other existing models based on empirically postulated equations for bubble growth and motion, this theory does not contain unwarrantable assumptions, and both the equations are rigorously derived within the framework of a unified approach. The conclusions of the theory are drastically different from those of the conventional models. The bubbles are shown to detach themselves under combined action of buoyancy and a surface tension force that is proven to add to buoyancy in bubble detachment, but not the other way round as is commonly presumed. The theory ensures a sound understanding of a number of so far unexplained phenomena, such as effect caused by gravity level and surface tension on the bubble growth rate and dependence of the bubble characteristics at detachment on the liquid thermophysical parameters and relevant temperature differences. The theoretical predictions are shown to be in a satisfactory qualitative and quantitative agreement with observations. When being applied to heat transfer at nucleate pool boiling, this bubble dynamic theory offers an opportunity to considerably improve the main formulae that are generally used to correlate experimental findings and to design boiling heat removal in various industrial applications. Moreover, the theory makes possible to pose and study a great deal of new problems of essential impact in practice. Two such problems are considered in detail. One problem concerns the development of a principally novel physical model for the first crisis of boiling. This model allows for evaluating critical boiling heat fluxes under various conditions, and in particular at different

  10. Hastings Center

    MedlinePlus

    ... on, and advocacy for, wiser health care and science policy. In addition to her leadership role at The Hastings Center, she is a professor at Harvard Medical School, where she directs the school’s Fellowship in Bioethics, a program that ...

  11. Agar plate freezing assay for the in situ selection of transformed ice nucleating bacteria.

    PubMed

    Anastassopoulos, Elias

    2006-10-01

    An agar plate freezing assay is described based on the incorporation of fluorescein dye in agar medium. Upon addition of fluorescein the medium becomes transparent. This facilitates the monitoring of the ice nucleation event in vivo and the subsequent in situ selection of transformed ice nucleating bacteria. In comparison with known assays for the screening of transformants, the proposed assay is very accurate and reproducible. It may be applied in environmental samples screening for ice nucleating organisms, or in cDNA or genomic libraries for identifying novel ice nucleation genes. It may also prove useful in comparative studies of the ice nucleation activity, e.g. in directed evolution experiments involving ice nucleation genes.

  12. Heterogeneous ice nucleation: exploring the transition from stochastic to singular freezing behavior

    NASA Astrophysics Data System (ADS)

    Niedermeier, D.; Shaw, R. A.; Hartmann, S.; Wex, H.; Clauss, T.; Voigtländer, J.; Stratmann, F.

    2011-08-01

    Heterogeneous ice nucleation, a primary pathway for ice formation in the atmosphere, has been described alternately as being stochastic, in direct analogy with homogeneous nucleation, or singular, with ice nuclei initiating freezing at deterministic temperatures. We present an idealized, conceptual model to explore the transition between stochastic and singular ice nucleation. This "soccer ball" model treats particles as being covered with surface sites (patches of finite area) characterized by different nucleation barriers, but with each surface site following the stochastic nature of ice embryo formation. The model provides a phenomenological explanation for seemingly contradictory experimental results obtained in our research groups. Even with ice nucleation treated fundamentally as a stochastic process this process can be masked by the heterogeneity of surface properties, as might be typical for realistic atmospheric particle populations. Full evaluation of the model findings will require experiments with well characterized ice nucleating particles and the ability to vary both temperature and waiting time for freezing.

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

    NASA Astrophysics Data System (ADS)

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

    2017-02-01

    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 their composition almost entirely during nucleation. Using the threshold method, direct nucleation rates are obtained. Our nucleation rates are found to be 1.08 ×1027 cm-3 s-1 for TIP4P and 2.30 ×1027 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.

  14. Gold-catalyzed vapor-liquid-solid germanium-nanowire nucleation on porous silicon.

    PubMed

    Koto, Makoto; Marshall, Ann F; Goldthorpe, Irene A; McIntyre, Paul C

    2010-05-07

    Nanoporous Si(111) substrates are used to study the effects of Au catalyst coarsening on the nucleation of vapor-liquid-solid-synthesized epitaxial Ge nanowires (NWs) at temperatures less than 400 degrees C. Porous Si substrates, with greater effective interparticle separations for Au surface diffusion than nonporous Si, inhibit catalyst coarsening and agglomeration prior to NW nucleation. This greatly reduces the variation in wire diameter and length and increases the yield compared to nucleation on identically prepared nonporous Si substrates.

  15. Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling

    NASA Astrophysics Data System (ADS)

    Reinhardt, Aleks; Doye, Jonathan P. K.

    2013-09-01

    We present a partial free energy profile for the homogeneous nucleation of ice using an all-atom model of water at low supercooling, at which ice growth dynamics are reasonably accessible to simulation. We demonstrate that the free energy profile is well described by classical nucleation theory, and that the nucleation barrier is entropic in origin. We also estimate to first order the temperature dependence of the interfacial free energy.

  16. Sublimating icy planetesimals as the source of nucleation seeds for grain condensation in classical novae

    NASA Technical Reports Server (NTRS)

    Matese, John J.; Whitmire, D. P.; Reynolds, R. T.

    1989-01-01

    The problem of grain nucleation during novae outbursts is a major obstacle to our understanding of dust formation in these systems. How nucleation seeds can form in the hostile post-outburst environment remains an unresolved matter. It is suggested that the material for seeding the condensation of ejecta outflow is stored in a primordial disk of icy planetesimals surrounding the system. Evidence is presented that the requisite number of nucleation seeds can be released by sublimation of the planetesimals during outbursts.

  17. Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling.

    PubMed

    Reinhardt, Aleks; Doye, Jonathan P K

    2013-09-07

    We present a partial free energy profile for the homogeneous nucleation of ice using an all-atom model of water at low supercooling, at which ice growth dynamics are reasonably accessible to simulation. We demonstrate that the free energy profile is well described by classical nucleation theory, and that the nucleation barrier is entropic in origin. We also estimate to first order the temperature dependence of the interfacial free energy.

  18. Inclusion of line tension effect in classical nucleation theory for heterogeneous nucleation: A rigorous thermodynamic formulation and some unique conclusions

    SciTech Connect

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

    2015-03-14

    A rigorous thermodynamic formulation of the geometric model for heterogeneous nucleation including line tension effect is missing till date due to the associated mathematical hurdles. In this work, we develop a novel thermodynamic formulation based on Classical Nucleation Theory (CNT), which is supposed to illustrate a systematic and a more plausible analysis for the heterogeneous nucleation on a planar surface including the line tension effect. The appreciable range of the critical microscopic contact angle (θ{sub c}), obtained from the generalized Young’s equation and the stability analysis, is θ{sub ∞} < θ{sub c} < θ′ for positive line tension and is θ{sub M} < θ{sub c} < θ{sub ∞} for negative line tension. θ{sub ∞} is the macroscopic contact angle, θ′ is the contact angle for which the Helmholtz free energy has the minimum value for the positive line tension, and θ{sub M} is the local minima of the nondimensional line tension effect for the negative line tension. The shape factor f, which is basically the dimensionless critical free energy barrier, becomes higher for lower values of θ{sub ∞} and higher values of θ{sub c} for positive line tension. The combined effect due to the presence of the triple line and the interfacial areas (f{sup L} + f{sup S}) in shape factor is always within (0, 3.2), resulting f in the range of (0, 1.7) for positive line tension. A formerly presumed appreciable range for θ{sub c}(0 < θ{sub c} < θ{sub ∞}) is found not to be true when the effect of negative line tension is considered for CNT. Estimation based on the property values of some real fluids confirms the relevance of the present analysis.

  19. The Effects of Thermal History on Nucleation of Tetragonal Lysozyme Crystals, or Hot Protein and Cold Nucleation

    NASA Technical Reports Server (NTRS)

    Burke, Michael; Judge, Russell; Pusey, Marc

    2000-01-01

    Chicken egg white lysozyme has a well characterized thermally driven phase transition. Between pH 4.2 and 5.2, the transition temperature, as defined by the point where the tetragonal and orthorhombic solubilities are equal, is a function of the pH, salt (precipitant) type and concentration, and most likely of the buffer concentration as well. This phase transition can be carried out with protein solution alone, prior to addition of precipitant solution. Warming a lysozyme solution above the phase transition point, then cooling it back below this point, has been shown to affect the subsequent nucleation rate, as determined by the numbers and size of crystals formed, but not the growth rate for the tetragonal crystal form . We have now measured the kinetics of this process and investigated its reversibility. The transition effects are progressive with temperature, having a half time of about 1 hour at 37C at pH 4.8. After holding a lysozyme solution at 37C (prior to addition of precipitant) for 16 hours, then cooling it back to 4C no return to the pre-warmed nucleation kinetics are observed after at least 4 weeks. Orthorhombic lysozyme crystals apparently do not undergo the flow-induced growth cessation of tetragonal lysozyme crystals. Putting the protein in the orthorhombic form does not affect the averaged face growth kinetics, only nucleation, for tetragonal crystals. This differential behaviour may be exploited to elucidate how and where flow affects the lysozyme crystal growth process. The presentation will focus on the results of these and ongoing studies in this area.

  20. Laser-induced nucleation of carbon dioxide bubbles

    NASA Astrophysics Data System (ADS)

    Ward, Martin R.; Jamieson, William J.; Leckey, Claire A.; Alexander, Andrew J.

    2015-04-01

    A detailed experimental study of laser-induced nucleation (LIN) of carbon dioxide (CO2) gas bubbles is presented. Water and aqueous sucrose solutions supersaturated with CO2 were exposed to single nanosecond pulses (5 ns, 532 nm, 2.4-14.5 MW cm-2) and femtosecond pulses (110 fs, 800 nm, 0.028-11 GW cm-2) of laser light. No bubbles were observed with the femtosecond pulses, even at high peak power densities (11 GW cm-2). For the nanosecond pulses, the number of bubbles produced per pulse showed a quadratic dependence on laser power, with a distinct power threshold below which no bubbles were observed. The number of bubbles observed increases linearly with sucrose concentration. It was found that filtering of solutions reduces the number of bubbles significantly. Although the femtosecond pulses have higher peak power densities than the nanosecond pulses, they have lower energy densities per pulse. A simple model for LIN of CO2 is presented, based on heating of nanoparticles to produce vapor bubbles that must expand to reach a critical bubble radius to continue growth. The results suggest that non-photochemical laser-induced nucleation of crystals could also be caused by heating of nanoparticles.

  1. Quantifying a pathway: kinetic analysis of actin dendritic nucleation.

    PubMed

    Kraikivski, Pavel; Slepchenko, Boris M

    2010-08-04

    Progress in uncovering the reaction networks that underlie important cell functions is laying the groundwork for quantitative identification of protein-interaction pathways. Since direct measurement of rate constants is not always feasible, the parameters are often inferred from multiple pieces of data using kinetic analyses based on appropriate mathematical models. The success of this approach relies on the sufficiency of available experimental data for a unique parameterization of the network. The concept of a rate-limiting step is applied to the analysis of experimental data that are usually used to quantify a pathway of actin dendritic nucleation, the Arp2/3-mediated mechanism that enables rapid changes of cell shape in response to external cues. The method yields analytical descriptions of the dynamics of polymerized actin and provides insights into how the experimental curves should be analyzed. It is shown that dynamics measured by pyrene-labeled actin assays with varying Arp2/3 concentrations are equally well described by two different rate-limiting steps: 1), binding of a nucleating complex to the side of a preexisting filament; or 2), its subsequent activation. To distinguish between the alternatives, we propose experiments with varying concentrations of actin monomers, taking advantage of the fact that the number of branches in the two cases depends differently on the initial monomer concentration. The idea is tested by simulating the proposed experiments with the use of spatial stochastic modeling.

  2. Characteristics-based sectional modeling of aerosol nucleation and condensation

    NASA Astrophysics Data System (ADS)

    Frederix, E. M. A.; Stanic, M.; Kuczaj, A. K.; Nordlund, M.; Geurts, B. J.

    2016-12-01

    A new numerical method for the solution of an internally mixed spatially homogeneous sectional model for aerosol nucleation and condensation is proposed. The characteristics method is used to predict droplet sizes within a discrete time step. The method is designed such that 1) a pre-specified number of moments of the droplet size distribution may be preserved, 2) there exists no time step stability restriction related to the condensation rate and section size, 3) highly skewed fixed sectional distributions may be used and 4) it is straightforward to extend to spatially inhomogeneous settings and to incorporate droplet coagulation and break-up. We derive, starting from mass conservation, a consistent internally mixed multi-species aerosol model. For certain condensational growth laws analytical solutions exist, against which the method is validated. Using two-moment and four-moment-preserving schemes, we find first order convergence of the numerical solution to the analytical result, as a function of the number of sections. As the four-moment-preserving scheme does not guarantee positivity of the solution, a hybrid scheme is proposed, which, when needed, locally reverts back to two-moment preservation, to prevent negativity. As an illustration, the method is applied to a complete multi-species homogeneous nucleation and condensation problem.

  3. Ice nucleation active particles are efficiently removed by precipitating clouds.

    PubMed

    Stopelli, Emiliano; Conen, Franz; Morris, Cindy E; Herrmann, Erik; Bukowiecki, Nicolas; Alewell, Christine

    2015-11-10

    Ice nucleation in cold clouds is a decisive step in the formation of rain and snow. Observations and modelling suggest that variations in the concentrations of ice nucleating particles (INPs) affect timing, location and amount of precipitation. A quantitative description of the abundance and variability of INPs is crucial to assess and predict their influence on precipitation. Here we used the hydrological indicator δ(18)O to derive the fraction of water vapour lost from precipitating clouds and correlated it with the abundance of INPs in freshly fallen snow. Results show that the number of INPs active at temperatures ≥ -10 °C (INPs-10) halves for every 10% of vapour lost through precipitation. Particles of similar size (>0.5 μm) halve in number for only every 20% of vapour lost, suggesting effective microphysical processing of INPs during precipitation. We show that INPs active at moderate supercooling are rapidly depleted by precipitating clouds, limiting their impact on subsequent rainfall development in time and space.

  4. Tuning ice nucleation with counterions on polyelectrolyte brush surfaces

    PubMed Central

    He, Zhiyuan; Xie, Wen Jun; Liu, Zhenqi; Liu, Guangming; Wang, Zuowei; Gao, Yi Qin; Wang, Jianjun

    2016-01-01

    Heterogeneous ice nucleation (HIN) on ionic surfaces is ubiquitous in a wide range of atmospheric aerosols and at biological interfaces. Despite its great importance in cirrus cloud formation and cryopreservation of cells, organs, and tissues, it remains unclear whether the ion-specific effect on ice nucleation exists. Benefiting from the fact that ions at the polyelectrolyte brush (PB)/water interface can be reversibly exchanged, we report the effect of ions on HIN on the PB surface, and we discover that the distinct efficiency of ions in tuning HIN follows the Hofmeister series. Moreover, a large HIN temperature window of up to 7.8°C is demonstrated. By establishing a correlation between the fraction of ice-like water molecules and the kinetics of structural transformation from liquid- to ice-like water molecules at the PB/water interface with different counterions, we show that our molecular dynamics simulation analysis is consistent with the experimental observation of the ion-specific effect on HIN. PMID:27386581

  5. Isolation of fetal DNA from nucleated erythrocytes in maternal blood

    SciTech Connect

    Bianchi, D.W.; Knoll, J.H.M. Harvard Medical School, Boston, MA ); Flint, A.F. ); Pizzimenti, M.F. ); Latt, S.A. Harvard Medical School, Boston, MA )

    1990-05-01

    Fetal nucleated cells within maternal blood represent a potential source of fetal genes obtainable by venipuncture. The authors used monoclonal antibody against the transferrin receptor (TIR) to identify nucleated erythrocytes in the peripheral blood of pregnant women. Candidate fetal cells from 19 pregnancies were isolated by flow sorting at 12 1/2-17 weeks gestation. The DNA in these cells was amplified for a 222-base-pair (bp) sequence present on the short arm of the Y chromosome as proof that the cells were derived from the fetus. The amplified DNA was compared with standardized DNA concentrations. In the case of the female fetus, DNA prepared from samples at 32 weeks of gestation and cord blood at delivery also showed the presence of the Y chromosomal sequence, suggesting Y sequence mosaicism or translocation. In 10/12 cases where the 222-bp band was absent, the fetuses were female. Thus, they were successful in detecting the Y chromosomal sequence in 75% of the male-bearing pregnancies, demonstrating that it is possible to isolate fetal gene sequences from cells in maternal blood. Further refinement in methodology should increase sensitivity and facilitate noninvasive screening for fetal gene mutations.

  6. Centrophilin: a novel mitotic spindle protein involved in microtubule nucleation

    PubMed Central

    1991-01-01

    A novel protein has been identified which may serve a key function in nucleating spindle microtubule growth in mitosis. This protein, called centrophilin, is sequentially relocated from the centromeres to the centrosomes to the midbody in a manner dependent on the mitotic phase. Centrophilin was initially detected by immunofluorescence with a monoclonal, primate-specific antibody (2D3) raised against kinetochore- enriched chromosome extract from HeLa cells (Valdivia, M. M., and B. R. Brinkley. 1985. J. Cell Biol. 101:1124-1134). Centrophilin forms prominent crescents at the poles of the metaphase spindle, gradually diminishes during anaphase, and bands the equatorial ends of midbody microtubules in telophase. The formation and breakdown of the spindle and midbody correlates in time and space with the aggregation and disaggregation of centrophilin foci. Immunogold EM reveals that centrophilin is a major component of pericentriolar material in metaphase. During recovery from microtubule inhibition, centrophilin foci act as nucleation sites for the assembly of spindle tubules. The 2D3 probe recognizes two high molecular mass polypeptides, 180 and 210 kD, on immunoblots of whole HeLa cell extract. Taken together, these data and the available literature on microtubule dynamics point inevitably to a singular model for control of spindle tubule turnover. PMID:1991791

  7. A Study of Nucleate Boiling with Forced Convection in Microgravity

    NASA Technical Reports Server (NTRS)

    Merte, Herman, Jr.

    1996-01-01

    Boiling is a rather imprecise term applied to the process of evaporation in which the rate of liquid-vapor phase change is large. In seeking to determine the role and significance of body forces on the process, of which buoyancy or gravity is just one agent, it becomes necessary to define the term more precisely. It is generally characterized by the formation and growth of individual vapor bubbles arising from heat transfer to the liquid, either at a solid/liquid or liquid/liquid interface, or volumetrically. The terms 'bubble' boiling and 'nucleate' boiling are frequently used, in recognition of the interactions of surface tension and other forces in producing discrete bubbles at distinctive locations (although not always). Primary considerations are that evaporation can occur only at existing liquid-vapor interfaces, so that attention must be given to the formation of an interface (the nucleation process), and that the latent heat for this evaporation can come only from the superheated liquid, so that attention must also be given to the temperature distributions in the liquid.

  8. Tuning ice nucleation with counterions on polyelectrolyte brush surfaces.

    PubMed

    He, Zhiyuan; Xie, Wen Jun; Liu, Zhenqi; Liu, Guangming; Wang, Zuowei; Gao, Yi Qin; Wang, Jianjun

    2016-06-01

    Heterogeneous ice nucleation (HIN) on ionic surfaces is ubiquitous in a wide range of atmospheric aerosols and at biological interfaces. Despite its great importance in cirrus cloud formation and cryopreservation of cells, organs, and tissues, it remains unclear whether the ion-specific effect on ice nucleation exists. Benefiting from the fact that ions at the polyelectrolyte brush (PB)/water interface can be reversibly exchanged, we report the effect of ions on HIN on the PB surface, and we discover that the distinct efficiency of ions in tuning HIN follows the Hofmeister series. Moreover, a large HIN temperature window of up to 7.8°C is demonstrated. By establishing a correlation between the fraction of ice-like water molecules and the kinetics of structural transformation from liquid- to ice-like water molecules at the PB/water interface with different counterions, we show that our molecular dynamics simulation analysis is consistent with the experimental observation of the ion-specific effect on HIN.

  9. Flow-Induced Crystallization and Nucleation in Isotactic Polypropylenes

    NASA Astrophysics Data System (ADS)

    Milner, Scott

    2015-03-01

    Flow-induced crystallization (FIC) occurs when a brief interval of strong flow precedes a temperature quench; many more nuclei form, resulting in a much more fine-grained solid morphology and better material properties. Common industrial polymer processing (injection molding) depends on FIC, which has been the subject of many experimental studies, most commonly on isotactic polypropylene (iPP). The prevailing hypothesis is that FIC results from flow aligning chains in the melt, increasing the melt free energy with respect to the crystal, hence acting like undercooling. Here, I combine experimental results for FIC and homogeneous nucleation with theoretical estimates for critical nuclei, to assess the prevailing hypothesis. Current best information supports the view that chain stretching (not just alignment) is necessary and sufficient to explain the observed increase in nucleation rate. Important puzzles remain: 1) shear applied at temperatures well above the equilibrium melting temperature Tm = 187 C is effective for FIC, and 2) a sheared sample may be held for hours above Tm, and still crystallize faster when quenched.

  10. Observations of the marginal band system of nucleated erythrocytes

    PubMed Central

    1978-01-01

    The marginal band (MB) of nucleated erythrocytes (thos of nonmammalian vertebrates) is a continuous peripheral bundle of microtubules normally obscured by hemoglobin. Treatment of these elliptical cells with modified microtubule polymerization media containing Triton X-100 yields a semilysed system in which MB, nucleus, and trans-MB material (TBM) are visible under phase contrast. The TBM apparently interconnects structural components, passing around opposite sides of the nucleus and suspending it in native position. In uranyl acetatestained whole whole mounts (goldfish) examined by transmission electron microscopy, the TBM appears as a network. MBs of semilysed cells are relatively planar initially, but twist subsequently into a range of "figure-8" shapes with one of the two possible mirror-image configurations predominant. Nuclei and MBs can be released using proteolytic enzymes, to which the TBM seems most rapidly vulnerable. MBs thus freed are birefringent, generally untwisted, and much more circular than they are in situ. As a working hypothesis, it is prosposed that the flattened, elliptical shape of nucleated erythrocytes is a result of TBM tension applied asymmetrically across an otherwise more circular MB, and that the firure-8 configuration occurs when there is extreme TBM shrinkage or contraction. PMID:307555

  11. Ice nucleation active particles are efficiently removed by precipitating clouds

    PubMed Central

    Stopelli, Emiliano; Conen, Franz; Morris, Cindy E.; Herrmann, Erik; Bukowiecki, Nicolas; Alewell, Christine

    2015-01-01

    Ice nucleation in cold clouds is a decisive step in the formation of rain and snow. Observations and modelling suggest that variations in the concentrations of ice nucleating particles (INPs) affect timing, location and amount of precipitation. A quantitative description of the abundance and variability of INPs is crucial to assess and predict their influence on precipitation. Here we used the hydrological indicator δ18O to derive the fraction of water vapour lost from precipitating clouds and correlated it with the abundance of INPs in freshly fallen snow. Results show that the number of INPs active at temperatures ≥ −10 °C (INPs−10) halves for every 10% of vapour lost through precipitation. Particles of similar size (>0.5 μm) halve in number for only every 20% of vapour lost, suggesting effective microphysical processing of INPs during precipitation. We show that INPs active at moderate supercooling are rapidly depleted by precipitating clouds, limiting their impact on subsequent rainfall development in time and space. PMID:26553559

  12. Bubble nucleation in superhydrophobic microchannels due to subcritical heating

    NASA Astrophysics Data System (ADS)

    Cowley, Adam; Maynes, Daniel; Crockett, Julie; Iverson, Brian

    2016-11-01

    We report on experiments that investigate the effects of heating on laminar flow in superhydrophobic (SH) microchannels. The parallel plate microchannels (180 μm spacing) consist of two surfaces: a rib/cavity structured SH surface and a smooth glass surface. The back of the SH surface is in contact with an aluminum strip that is heated and a camera is used to image through the glass surface to visualize the flow. Thermocouples embedded in the aluminum obtain the temperature profile along the length of the channel. The friction factor-Reynolds product (fRe) is obtained via pressure drop and volumetric flow rate measurements. Five surface types/configurations are investigated: smooth hydrophilic, smooth hydrophobic, SH with ribs perpendicular to the flow, SH with ribs parallel to the flow, and SH with both ribs parallel to the flow and sparse ribs perpendicular to the flow. Both degassed and air-saturated water are used. When air-saturated water is used, the cavities of the SH surfaces act as nucleation sites and air is desorbed out of the water. Depending on the surface type/configuration, large bubbles can form and result in a large increase in fRe and channel surface temperatures. When degassed water is used no bubble nucleation is observed, however, the air trapped in the cavities of the SH surfaces is quickly absorbed and the surfaces transition to a wetted state. This research was supported by the National Science Foundation (NSF) (Grant No. CBET-1235881).

  13. Musculoskeletal-induced Nucleation in Altitude Decompression Sickness

    NASA Technical Reports Server (NTRS)

    Pollock, N. W.; Natoli, M. J.; Conkin, J.; Wessel, J. H., III; Gernhardt, M. L.

    2014-01-01

    Musculoskeletal activity has the potential to both improve and compromise decompression safety. Exercise enhances inert gas elimination during oxygen breathing prior to decompression (prebreathe), but it may also promote bubble nuclei formation (nucleation), which can lead to gas phase separation and bubble growth and increase the risk of decompression sickness (DCS). The timing, pattern and intensity of musculoskeletal activity and the level of tissue supersaturation may be critical to the net effect. There are limited data available to evaluate cost-benefit relationships. Understanding the relationship is important to improve our understanding of the underlying mechanisms of nucleation in exercise prebreathe protocols and to quantify risk in gravity and microgravity environments. Data gathered during NASA's Prebreathe Reduction Program (PRP) studies combined oxygen prebreathe and exercise followed by low pressure (4.3 psi; altitude equivalent of 30,300 ft [9,235 m]) microgravity simulation to produce two protocols used by astronauts preparing for extravehicular activity. Both the Phase II/CEVIS (cycle ergometer vibration isolation system) and ISLE (in-suit light exercise) trials eliminated ambulation to more closely simulate the microgravity environment. The CEVIS results (35 male, 10 female) serve as control data for this NASA/Duke study to investigate the influence of ambulation exercise on bubble formation and the subsequent risk of DCS.

  14. Crack nucleation near stress concentrators in quasi-brittle materials

    NASA Astrophysics Data System (ADS)

    Demeshkin, A. G.; Kornev, V. M.; Kurguzov, V. D.

    2012-02-01

    The results of combined tension (compression) and shear experiments with plexiglass specimens are used to construct a Coulomb-Mohr-type strength curve. Fracture experiments were performed with plexiglass square plates with internal through cuts. The specimens were subjected to compression on a Zwick/Roell testing machine until cracks appeared. In the process of testing, nucleation of symmetric cracks was observed, which propagated as the load was further increased. The fracture character (tensile or shear) could not be decided until a subsequent numerical analysis of the plate stress-strain state was performed by the finite elementmethod. The stress concentration loci were found to coincide with the crack nucleation loci. In the plane ( σ, τ ), Mohr's circles were constructed for the stress states at the stress concentration points. If the point at which Mohr's curve touches the limit curve is known, then one can determine the plane on which the normal and tangential stresses attain critical values, and hence one can determine the crack propagation direction. The experimental results and numerical solutions were found to be in good agreement.

  15. Kinetic nucleation model for free expanding water condensation plume simulations.

    PubMed

    Li, Zheng; Zhong, Jiaqiang; Levin, Deborah A; Garrison, Barbara J

    2009-05-07

    Recent direct simulation Monte Carlo (DSMC) simulations of homogeneous condensation in free expansion water plumes [Z. Li, J. Zhong, D. A. Levin, and B. Garrison, AIAA J. 47, 1241 (2009)] show that the nucleation rate is a key factor for accurately modeling condensation phenomenon. In this work, we use molecular dynamics (MD) simulations of a free expansion to explore the microscopic mechanisms of water dimer formation and develop collision models required by DSMC. Bimolecular and termolecular dimer cluster formation mechanisms are considered and the former is found to be the main mechanism in expanding flows to vacuum. MD simulations between two water molecules using the simple point charge intermolecular potential were performed to predict the bimolecular dimer formation probability and the probability was found to decrease with collision energy. The formation probabilities and postcollisional velocity and energy distributions were then integrated into DSMC simulations of a free expansion of an orifice condensation plume with different chamber stagnation temperatures and pressures. The dimer mole fraction was found to increase with distance from the orifice and become constant after a distance of about two orifice diameters. Similar to experiment, the terminal dimer mole fraction was found to decrease with chamber stagnation temperatures and increase linearly with chamber stagnation pressures which is consistent with a bimolecular nucleation mechanism.

  16. Superheating and Homogeneous Single Bubble Nucleation in a Solid-State Nanopore

    PubMed Central

    Nagashima, Gaku; Levine, Edlyn V.; Hoogerheide, David P.; Burns, Michael M.; Golovchenko, Jene A.

    2014-01-01

    We demonstrate extreme superheating and single bubble nucleation in an electrolyte solution within a nanopore in a thin silicon nitride membrane. The high temperatures are achieved by Joule heating from a highly focused ionic current induced to flow through the pore by modest voltage biases. Conductance, nucleation, and bubble evolution are monitored electronically and optically. Temperatures near the thermodynamic limit of superheat are achieved just before bubble nucleation with the system at atmospheric pressure. Bubble nucleation is homogeneous and highly reproducible. This nanopore approach more generally suggests broad application to the excitation, detection, and characterization of highly metastable states of matter. PMID:25062192

  17. Direct measurement of activation time and nucleation rate in capillary-condensed water nanomeniscus

    NASA Astrophysics Data System (ADS)

    Sung, Baekman; Kim, Jongwoo; Stambaugh, Corey; Chang, Sung-Jin; Jhe, Wonho

    2013-11-01

    We demonstrate real-time observation of nucleation of the single water nanomeniscus formed via capillary condensation. We directly measure (i) activation time by time-resolved atomic force microscopy and (ii) nucleation rate by statistical analysis of its exponential distribution, which is the experimental evidence that the activation process is stochastic and follows the Poisson statistics. It implies that formation of the water nanomeniscus is triggered by nucleation, which requires activation for producing a nucleus. We also find the dependence of the nucleation rate on the tip-sample distance and temperature.

  18. The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals.

    PubMed

    Cox, Stephen J; Raza, Zamaan; Kathmann, Shawn M; Slater, Ben; Michaelides, Angelos

    2013-01-01

    It is surprisingly difficult to freeze water. Almost all ice that forms under "mild" conditions (temperatures > -40 degrees C) requires the presence of a nucleating agent--a solid particle that facilitates the freezing process--such as clay mineral dust, soot or bacteria. In a computer simulation, the presence of such ice nucleating agents does not necessarily alleviate the difficulties associated with forming ice on accessible timescales. Nevertheless, in this work we present results from molecular dynamics simulations in which we systematically compare homogeneous and heterogeneous ice nucleation, using the atmospherically important clay mineral kaolinite as our model ice nucleating agent. From our simulations, we do indeed find that kaolinite is an excellent ice nucleating agent but that contrary to conventional thought, non-basal faces of ice can nucleate at the basal face of kaolinite. We see that in the liquid phase, the kaolinite surface has a drastic effect on the density profile of water, with water forming a dense, tightly bound first contact layer. Monitoring the time evolution of the water density reveals that changes away from the interface may play an important role in the nucleation mechanism. The findings from this work suggest that heterogeneous ice nucleating agents may not only enhance the ice nucleation rate, but also alter the macroscopic structure of the ice crystals that form.

  19. Laboratory studies of cirrus clouds: the ins and outs of ice nucleation

    NASA Astrophysics Data System (ADS)

    Tolbert, M. A.; Schill, G. P.; Baustian, K. J.

    2012-12-01

    Although cirrus clouds are ever-present in the upper troposphere, the precise mechanisms governing their formation are still uncertain. Recent field observations suggest that ice nucleation in the atmosphere is often more consistent with a heterogeneous nucleation mechanism than a homogeneous one. In the present work, we use optical microscopy coupled with Raman spectroscopy to examine ice nucleation on individual micron-sized particles. Because upper tropospheric particles as well as sub-visible cirrus residues are enhanced in both sulfates and organics, our focus is on complex particles containing these two species. Particles with well-defined structures were generated by nebulization of solutions containing ammonium sulfate and an organic. As the relative humidity was decreased, the aqueous particles underwent liquid-liquid phase separation forming an organic coating over ammonium sulfate. Lowering the relative humidity further resulted in ammonium sulfate efflorescence to a crystalline solid. Ice nucleation was then studied on the layered particles as a function of temperature and relative humidity. During particle formation and ice nucleation, Raman mapping was used to determine the particle structures. Depending on the organic composition and temperature, ice was sometimes observed to nucleate on the ammonium sulfate core within the particle and sometimes nucleated on the organic outer layer. The combination of Raman and optical microscopy allows visualization of the ice nucleation process for complex particles. These studies reveal that the mechanism of heterogeneous ice nucleation depends not just on particle size, but also on particle composition, phase and mixing state.

  20. The Thermodynamics Of Calcite Nucleation On Organic Surfaces: Classical Vs. Non-Classical Pathways

    NASA Astrophysics Data System (ADS)

    Nielsen, M.; Hu, Q.; Hamm, L. M.; Lee, J. R.; Becker, U.; Dove, P. M.; De Yoreo, J.

    2012-12-01

    Nucleation in the natural world often occurs at organic surfaces. During biomineralization, living organisms use macromolecular matrices to direct nucleation of a variety of inorganic materials by controlling the timing, polymorphism, morphology, and crystallographic orientation of mineral nuclei. In geochemical settings, mineral surfaces, which are often covered with organic layers or biofilms, surround the volume within which nucleation occurs. Despite the importance of nucleation phenomena in these natural settings, our understanding of the reaction dynamics and energetics of the process is limited. Issues such as the role of pre-nucleation clusters, formation of amorphous precursors, and polymorph selection during the initial stages of nucleation, as well as the structural relationships between the organic matrix and the emerging nucleus are poorly understood. Using self-assembled monolayers (SAMs) of alkanethiols as simple models for macromolecular matrices and organic films, we address the gaps in our understanding by employing a suite of in situ methods to investigate CaCO3 nucleation. From optical measurements of calcite nucleation rates on alkanethiol SAMs, we find that for two carboxyl-terminated alkanethiol SAMs with odd (mercaptoundecanoic acid) and even (mercaptohexadecanoic acid) carbon chains, the rate exhibits the supersaturation dependence expected from classical theory and the effective interfacial energy is reduced from about 109 mJ/m2 in bulk solution to 81 mJ/m2 and 72 mJ/m2, respectively. Theoretical analysis shows that the corresponding free energy barrier is reduced from 105kT for homogeneous nucleation in bulk solution to 27KT and 19kT, respectively. The results demonstrate that calcite nucleation on these carboxyl SAMs is described well in purely classical terms through a reduction in the thermodynamic barrier due to decreased interfacial free energy. In addition, although amorphous particles form prior to crystal nucleation on hydroxyl