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Sample records for nucleation growth composition

  1. Role of nucleation in nanodiamond film growth

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  2. Inferring the effects of compositional boundary layers on crystal nucleation, growth textures, and mineral chemistry in natural volcanic tephras through submicron-resolution imaging

    Directory of Open Access Journals (Sweden)

    Georg F. Zellmer

    2016-09-01

    Full Text Available Crystal nucleation and growth are first order processes captured in volcanic rocks and record important information about the rates of magmatic processes and chemical evolution of magmas during their ascent and eruption. We have studied glass-rich andesitic tephras from the Central Plateau of the Southern Taupo Volcanic Zone by electron- and ion-microbeam imaging techniques to investigate down to sub-micrometre scale the potential effects of compositional boundary layers (CBLs of melt around crystals on the nucleation and growth of mineral phases and the chemistry of crystal growth zones. We find that CBLs may influence the types of mineral phases nucleating and growing, and growth textures such as the development of swallowtails. The chemistry of the CBLs also has the capacity to trigger intermittent overgrowths of nanometre-scale bands of different phases in rapidly growing crystals, resulting in what we refer to as cryptic phase zoning. The existence of cryptic phase zoning has implications for the interpretation of microprobe compositional data, and the resulting inferences made on the conditions of magmatic evolution. Identification of cryptic phase zoning may in future lead to more accurate thermobarometric estimates and thus geospeedometric constraints. In future, a more quantitative characterization of CBL formation and its effects on crystal nucleation and growth may contribute to a better understanding of melt rheology and magma ascent processes at the onset of explosive volcanic eruptions, and will likely be of benefit to hazard mitigation efforts.

  3. Grain nucleation and growth during phase transformations

    DEFF Research Database (Denmark)

    Offerman, S.E.; Dijk, N.H. van; Sietsma, J.

    2002-01-01

    of individual grains. Our measurements show that the activation energy for grain nucleation is at least two orders of magnitude smaller than that predicted by thermodynamic models. The observed growth curves of the newly formed grains confirm the parabolic growth model but also show three fundamentally...... different types of growth. Insight into the grain nucleation and growth mechanisms during phase transformations contributes to the development of materials with optimal mechanical properties....

  4. Nucleation and growth characteristics of cavities during the early stages of tensile creep deformation in a superplastic zirconia-20 wt% alumina composite

    International Nuclear Information System (INIS)

    Owen, D.M.; Chokshi, A.H.; Nutt, S.R.

    1997-01-01

    Constant-stress tensile creep experiments on a superplastic 3-mol%-yttria-stabilized tetragonal zirconia composite with 20 wt% alumina revealed that cavities nucleate relatively early during tensile deformation. The number of cavities nucleated increases with increasing imposed stress. The cavities nucleate at triple points associated largely with an alumina grain, and then grow rapidly in a cracklike manner to attain dimensions on the order of the grain facet size. It is suggested that coarser-grained superplastic ceramics exhibit lower ductility due to the ease in formation of such grain boundary facet-cracks and their interlinkage to form a macroscopic crack of critical dimensions

  5. Evolution of particle composition in CLOUD nucleation experiments

    Directory of Open Access Journals (Sweden)

    H. Keskinen

    2013-06-01

    Full Text Available Sulphuric acid, ammonia, amines, and oxidised organics play a crucial role in nanoparticle formation in the atmosphere. In this study, we investigate the composition of nucleated nanoparticles formed from these compounds in the CLOUD (Cosmics Leaving Outdoor Droplets chamber experiments at CERN (Centre européen pour la recherche nucléaire. The investigation was carried out via analysis of the particle hygroscopicity, ethanol affinity, oxidation state, and ion composition. Hygroscopicity was studied by a hygroscopic tandem differential mobility analyser and a cloud condensation nuclei counter, ethanol affinity by an organic differential mobility analyser and particle oxidation level by a high-resolution time-of-flight aerosol mass spectrometer. The ion composition was studied by an atmospheric pressure interface time-of-flight mass spectrometer. The volume fraction of the organics in the particles during their growth from sizes of a few nanometers to tens of nanometers was derived from measured hygroscopicity assuming the Zdanovskii–Stokes–Robinson relationship, and compared to values gained from the spectrometers. The ZSR-relationship was also applied to obtain the measured ethanol affinities during the particle growth, which were used to derive the volume fractions of sulphuric acid and the other inorganics (e.g. ammonium salts. In the presence of sulphuric acid and ammonia, particles with a mobility diameter of 150 nm were chemically neutralised to ammonium sulphate. In the presence of oxidation products of pinanediol, the organic volume fraction of freshly nucleated particles increased from 0.4 to ~0.9, with an increase in diameter from 2 to 63 nm. Conversely, the sulphuric acid volume fraction decreased from 0.6 to 0.1 when the particle diameter increased from 2 to 50 nm. The results provide information on the composition of nucleated aerosol particles during their growth in the presence of various combinations of sulphuric acid

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

    International Nuclear Information System (INIS)

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

    1980-01-01

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

  7. Nucleation and growth of polycrystalline SiC

    DEFF Research Database (Denmark)

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

    2014-01-01

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

  8. Overview of TANGENT (Tandem Aerosol Nucleation and Growth ENvironment Tube) 2017 IOP Study

    Science.gov (United States)

    Tiszenkel, L.

    2017-12-01

    New particle formation consists of two steps: nucleation and growth of nucleated particles. However, most laboratory studies have been conducted under conditions where these two processes are convoluted together, thereby hampering the detailed understanding of the effect of chemical species and atmospheric conditions on two processes. The objective of the Tandem Aerosol Nucleation and Growth ENvironment Tube (TANGENT) laboratory study is to investigate aerosol nucleation and growth properties independently by separating these two processes in two different flow tubes. This research is a collaboration between the University of Alabama in Huntsville and the University of Delaware. In this poster we will present the experimental setup of TANGENT and summarize the key results from the first IOP (intense observation period) experiments undertaken during Summer 2017. Nucleation takes place in a temperature- and RH-controlled fast flow reactor (FT-1) where sulfuric acid forms from OH radicals and sulfur dioxide. Sulfuric acid and impurity base compounds are detected with chemical ionization mass spectrometers (CIMS). Particle sizes and number concentrations of newly nucleated particles are measured with a scanning mobility particle sizer (SMPS) and particle size magnifier (PSM), providing concentrations of particles between 1-100 nm. The nucleation particles are transferred directly to the growth tube (FT-2) where oxidants and biogenic organic precursors are added to grow nucleated nanoparticles. Sizes of particles after growth are analyzed with an additional SMPS and elemental chemical composition of 50 nm and above particles detected with a nano-aerosol mass spectrometer (NAMS). TANGENT provides the unique ability to conduct experiments that can monitor and control reactant concentrations, aerosol size and aerosol chemical composition during nucleation and growth. Experiments during this first IOP study have elucidated the effects of sulfur dioxide, particle size

  9. Nucleation and growth of cadherin adhesions

    International Nuclear Information System (INIS)

    Lambert, Mireille; Thoumine, Olivier; Brevier, Julien; Choquet, Daniel; Riveline, Daniel; Mege, Rene-Marc

    2007-01-01

    Cell-cell contact formation relies on the recruitment of cadherin molecules and their anchoring to actin. However, the precise chronology of events from initial cadherin trans-interactions to adhesion strengthening is unclear, in part due to the lack of access to the distribution of cadherins within adhesion zones. Using N-cadherin expressing cells interacting with N-cadherin coated surfaces, we characterized the formation of cadherin adhesions at the ventral cell surface. TIRF and RIC microscopies revealed streak-like accumulations of cadherin along actin fibers. FRAP analysis indicated that engaged cadherins display a slow turnover at equilibrium, compatible with a continuous addition and removal of cadherin molecules within the adhesive contact. Association of cadherin cytoplasmic tail to actin as well as actin cables and myosin II activity are required for the formation and maintenance of cadherin adhesions. Using time lapse microscopy we deciphered how cadherin adhesions form and grow. As lamellipodia protrude, cadherin foci stochastically formed a few microns away from the cell margin. Neo-formed foci coalesced aligned and coalesced with preformed foci either by rearward sliding or gap filling to form cadherin adhesions. Foci experienced collapse at the rear of cadherin adhesions. Based on these results, we present a model for the nucleation, directional growth and shrinkage of cadherin adhesions

  10. Determining the nucleation rate from the dimer growth probability

    NARCIS (Netherlands)

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

    2005-01-01

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

  11. Modelling the role of compositional fluctuations in nucleation kinetics

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  12. Nucleation and growth of a multicomponent metallic glass

    Indian Academy of Sciences (India)

    Unknown

    corrosion resistance (Karve and Kulkarni 1985). The industrial ... Thermal analysis has been extensively used for study- ... is extremely important to determine the activation energy ... nucleation and growth, respectively for the metallic glass.

  13. Nucleation and Growth Kinetics from LaMer Burst Data.

    Science.gov (United States)

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

    2017-10-12

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Kappus, W.

    1983-11-01

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

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

    Directory of Open Access Journals (Sweden)

    P. Vaattovaara

    2006-01-01

    results suggest that the secondary organic compounds may, in addition to being significant contributors to the nucleation mode processes, accelerate the growth of freshly nucleated particles and increase their survival probability to cloud condensation nuclei and even larger radiatively active particle sizes. The results give new insights to the marine/coastal particle formation, growth, and properties. The marine biota driven secondary organic contributions to marine/coastal particle formation and composition can be anticipated in other species specific biologically active oceans and fresh-waters areas around the world and thus, they may be significant also to the global radiative bugdet, atmosphere-biosphere feedbacks, and climate change.

  16. The nucleation and growth of intermetallic Al-Pt phases

    International Nuclear Information System (INIS)

    Kovacs, A.; Barna, P.B.; Labar, J. l.

    2002-01-01

    The nucleation and growth of intermetallic Al-Pt phases on amorphous carbon was investigated by half shadow technique in co-deposited thin films. In such experimental condition, the composition of the deposited films varied in the range of Al x Pt 1-x (0≤x≤0.6). The coexistence of Al 5 Pt, Al 2 Pt, Al 3 Pt 2 intermetallic phases have been found in the whole range with varying ratio. Vapour depositions were performed in an UHV system. The Al and Pt components were evaporated simultaneously onto amorphous carbon layer supported by TEM micro-grids. Deposition rates were controlled separately by quartz crystal monitors. Substrate temperature during deposition was 350 grad C. A special evaporation arrangement made possible to create a half shadow area on the substrate in which the quantity one of the components increased from zero to the wanted composition of the sample. The composition of the zones was determined by energy dispersive X-ray spectroscopy (EDS) in TEM. The intermetallic phases developed in the sample were investigated by analytical TEM (Philips CM20) and high resolution TEM (JEOL 3010 UHR). The electron diffraction patterns have been evaluated by ProcessDiffraction program. (Authors)

  17. Collaborative Project: Understanding the Chemical Processes tat Affect Growth rates of Freshly Nucleated Particles

    Energy Technology Data Exchange (ETDEWEB)

    McMurry, Peter [Univ. of Minnesota, Minneapolis, MN (United States); Smuth, James [University Corporation for Atmospheric Research, Irvine, CA (United States)

    2015-11-12

    This final technical report describes our research activities that have, as the ultimate goal, the development of a model that explains growth rates of freshly nucleated particles. The research activities, which combine field observations with laboratory experiments, explore the relationship between concentrations of gas-phase species that contribute to growth and the rates at which those species are taken up. We also describe measurements of the chemical composition of freshly nucleated particles in a variety of locales, as well as properties (especially hygroscopicity) that influence their effects on climate.

  18. Void Nucleation and Growth in Nonlinear Solids

    National Research Council Canada - National Science Library

    Horgan, Cornelius

    1998-01-01

    .... Our research has been concerned with load diffusion in such structures. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures...

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

    Directory of Open Access Journals (Sweden)

    C. D. O'Dowd

    2007-01-01

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

  20. The Effect of Volcanic Ash Composition on Ice Nucleation Affinity

    Science.gov (United States)

    Genareau, K. D.; Cloer, S.; Primm, K.; Woods, T.; Tolbert, M. A.

    2017-12-01

    Understanding the role that volcanic ash plays in ice nucleation is important for knowledge of lightning generation in both volcanic plumes and in clouds developing downwind from active volcanoes. Volcanic ash has long been suggested to influence heterogeneous ice nucleation following explosive eruptions, but determining precisely how composition and mineralogy affects ice nucleation affinity (INA) is poorly constrained. For the study presented here, volcanic ash samples with different compositions and mineral/glass contents were tested in both the deposition and immersion modes, following the methods presented in Schill et al. (2015). Bulk composition was determined with X-ray fluorescence (XRF), grain size distribution was determined with laser diffraction particle size analysis (LDPSA), and mineralogy was determined with X-ray diffraction (XRD) and scanning electron microscopy (SEM). Results of the deposition-mode experiments reveal that there is no relationship between ice saturation ratios (Sice) and either mineralogy or bulk ash composition, as all samples have similar Sice ratios. In the immersion-mode experiments, frozen fractions were determined from -20 °C to -50 °C using three different amounts of ash (0.5, 1.0, and 2.0 wt% of slurry). Results from the immersion freezing reveal that the rhyolitic samples (73 wt% SiO2) nucleate ice at higher temperatures compared to the basaltic samples (49 wt% SiO2). There is no observed correlation between frozen fractions and mineral content of ash samples, but the two most efficient ice nuclei are rhyolites that contain the greatest proportion of amorphous glass (> 90 %), and are enriched in K2O relative to transition metals (MnO and TiO2), the latter of which show a negative correlation with frozen fraction. Higher ash abundance in water droplets increases the frozen fraction at all temperatures, indicating that ash amount plays the biggest role in ice nucleation. If volcanic ash can reach sufficient abundance (

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

    Science.gov (United States)

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

    2016-09-20

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

  2. A Model of Silicate Grain Nucleation and Growth in Circumstellar Outflows

    Science.gov (United States)

    Paquette, John A.; Ferguson, Frank T.; Nuth, Joseph A., III

    2011-01-01

    Based on its abundance, high bond energy, and recent measurements of its vapor pressure SiO is a natural candidate for dust nucleation in circumstellar outflows around asymptotic giant branch stars. In this paper, we describe a model of the nucleation and growth of silicate dust in such outflows. The sensitivity of the model to varying choices of poorly constrained chemical parameters is explored, and the merits of using scaled rather than classical nucleation theory are briefly considered, An elaboration of the model that includes magnesium and iron as growth species is then presented and discussed. The composition of the bulk of the grains derived from the model is consistent with olivines and pyroxenes, but somewhat metal-rich grains and very small, nearly pure SiO grains are also produced,

  3. A 2-D nucleation-growth model of spheroidal graphite

    International Nuclear Information System (INIS)

    Lacaze, Jacques; Bourdie, Jacques; Castro-Román, Manuel Jesus

    2017-01-01

    Analysis of recent experimental investigations, in particular by transmission electron microscopy, suggests spheroidal graphite grows by 2-D nucleation of new graphite layers at the outer surface of the nodules. These layers spread over the surface along the prismatic direction of graphite which is the energetically preferred growth direction of graphite when the apparent growth direction of the nodules is along the basal direction of graphite. 2-D nucleation-growth models first developed for precipitation of pure substances are then adapted to graphite growth from the liquid in spheroidal graphite cast irons. Lateral extension of the new graphite layers is controlled by carbon diffusion in the liquid. This allows describing quantitatively previous experimental results giving strong support to this approach.

  4. Nucleation and crystal growth behavior of nepheline in simulated high-level waste glasses

    Energy Technology Data Exchange (ETDEWEB)

    Fox, K. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Amoroso, J. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Mcclane, D. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-09-26

    The Savannah River National Laboratory (SRNL) has been tasked with supporting glass formulation development and process control strategies in key technical areas, relevant to the Department of Energy’s Office of River Protection (DOE-ORP) and related to high-level waste (HLW) vitrification at the Waste Treatment and Immobilization Plant (WTP). Of specific interest is the development of predictive models for crystallization of nepheline (NaAlSiO4) in HLW glasses formulated at high alumina concentrations. This report summarizes recent progress by researchers at SRNL towards developing a predicative tool for quantifying nepheline crystallization in HLW glass canisters using laboratory experiments. In this work, differential scanning calorimetry (DSC) was used to obtain the temperature regions over which nucleation and growth of nepheline occur in three simulated HLW glasses - two glasses representative of WTP projections and one glass representative of the Defense Waste Processing Facility (DWPF) product. The DWPF glass, which has been studied previously, was chosen as a reference composition and for comparison purposes. Complementary quantitative X-ray diffraction (XRD) and optical microscopy confirmed the validity of the methodology to determine nucleation and growth behavior as a function of temperature. The nepheline crystallization growth region was determined to generally extend from ~ 500 to >850 °C, with the maximum growth rates occurring between 600 and 700 °C. For select WTP glass compositions (high Al2O3 and B2O3), the nucleation range extended from ~ 450 to 600 °C, with the maximum nucleation rates occurring at ~ 530 °C. For the DWPF glass composition, the nucleation range extended from ~ 450 to 750 °C with the maximum nucleation rate occurring at ~ 640 °C. The nepheline growth at the peak temperature, as determined by XRD, was between 35 - 75 wt.% /hour. A maximum nepheline growth rate of ~ 0.1 mm/hour at 700 °C was measured for the DWPF

  5. Nucleation and crystal growth behavior of nepheline in simulated high-level waste glasses

    International Nuclear Information System (INIS)

    Fox, K.; Amoroso, J.; Mcclane, D.

    2017-01-01

    The Savannah River National Laboratory (SRNL) has been tasked with supporting glass formulation development and process control strategies in key technical areas, relevant to the Department of Energy's Office of River Protection (DOE-ORP) and related to high-level waste (HLW) vitrification at the Waste Treatment and Immobilization Plant (WTP). Of specific interest is the development of predictive models for crystallization of nepheline (NaAlSiO4) in HLW glasses formulated at high alumina concentrations. This report summarizes recent progress by researchers at SRNL towards developing a predicative tool for quantifying nepheline crystallization in HLW glass canisters using laboratory experiments. In this work, differential scanning calorimetry (DSC) was used to obtain the temperature regions over which nucleation and growth of nepheline occur in three simulated HLW glasses - two glasses representative of WTP projections and one glass representative of the Defense Waste Processing Facility (DWPF) product. The DWPF glass, which has been studied previously, was chosen as a reference composition and for comparison purposes. Complementary quantitative X-ray diffraction (XRD) and optical microscopy confirmed the validity of the methodology to determine nucleation and growth behavior as a function of temperature. The nepheline crystallization growth region was determined to generally extend from ~ 500 to >850 °C, with the maximum growth rates occurring between 600 and 700 °C. For select WTP glass compositions (high Al2O3 and B2O3), the nucleation range extended from ~ 450 to 600 °C, with the maximum nucleation rates occurring at ~ 530 °C. For the DWPF glass composition, the nucleation range extended from ~ 450 to 750 °C with the maximum nucleation rate occurring at ~ 640 °C. The nepheline growth at the peak temperature, as determined by XRD, was between 35 - 75 wt.% /hour. A maximum nepheline growth rate of ~ 0.1 mm/hour at 700 °C was measured for the DWPF

  6. Nucleation and growth of new particles in Po Valley, Italy

    Directory of Open Access Journals (Sweden)

    A. Hamed

    2007-01-01

    Full Text Available Aerosol number distribution measurements are reported at San Pietro Capofiume (SPC station (44°39' N, 11°37' E for the time period 2002–2005. The station is located in Po Valley, the largest industrial, trading and agricultural area in Italy with a high population density. New particle formation was studied based on observations of the particle size distribution, meteorological and gas phase parameters. The nucleation events were classified according to the event clarity based on the particle number concentrations, and the particle formation and growth rates. Out of a total of 769 operational days from 2002 to 2005 clear events were detected on 36% of the days whilst 33% are clearly non-event days. The event frequency was high during spring and summer months with maximum values in May and July, whereas lower frequency was observed in winter and autumn months. The average particle formation and growth rates were estimated as ~6 cm−3 s−1 and ~7 nm h−1, respectively. Such high growth and formation rates are typical for polluted areas. Temperature, wind speed, solar radiation, SO2 and O3 concentrations were on average higher on nucleation days than on non-event days, whereas relative and absolute humidity and NO2 concentration were lower; however, seasonal differences were observed. Backtrajectory analysis suggests that during majority of nucleation event days, the air masses originate from northern to eastern directions. We also study previously developed nucleation event correlations with environmental variables and show that they predict Po Valley nucleation events with variable success.

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

    Science.gov (United States)

    He, Zhiyuan; Liu, Kai; Wang, Jianjun

    2018-05-15

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

  8. Final Report: "Collaborative Project. Understanding the Chemical Processes That Affect Growth Rates of Freshly Nucleated Particles"

    Energy Technology Data Exchange (ETDEWEB)

    Smith, James N. [NCAR, Boulder, CO (United States); McMurry, Peter H. [NCAR, Boulder, CO (United States)

    2015-11-12

    This final technical report describes our research activities that have, as the ultimate goal, the development of a model that explains growth rates of freshly nucleated particles. The research activities, which combine field observations with laboratory experiments, explore the relationship between concentrations of gas-phase species that contribute to growth and the rates at which those species are taken up. We also describe measurements of the chemical composition of freshly nucleated particles in a variety of locales, as well as properties (especially hygroscopicity) that influence their effects on climate. Our measurements include a self-organized, DOE-ARM funded project at the Southern Great Plains site, the New Particle Formation Study (NPFS), which took place during spring 2013. NPFS data are available to the research community on the ARM data archive, providing a unique suite observations of trace gas and aerosols that are associated with the formation and growth of atmospheric aerosol particles.

  9. Nucleation, growth and evolution of calcium phosphate films on calcite.

    Science.gov (United States)

    Naidu, Sonia; Scherer, George W

    2014-12-01

    Marble, a stone composed of the mineral calcite, is subject to chemically induced weathering in nature due to its relatively high dissolution rate in acid rain. To protect monuments and sculpture from corrosion, we are investigating the application of thin layers of hydroxyapatite (HAP) onto marble. The motivation for using HAP is its low dissolution rate and crystal and lattice compatibility with calcite. A mild, wet chemical synthesis route, in which diammonium hydrogen phosphate salt was reacted with marble, alone and with cationic and anionic precursors under different reaction conditions, was used to produce inorganic HAP layers on marble. Nucleation and growth on the calcite substrate was studied, as well as metastable phase evolution, using scanning electron microscopy, grazing incidence X-ray diffraction, and atomic force microscopy. Film nucleation was enhanced by surface roughness. The rate of nucleation and the growth rate of the film increased with cationic (calcium) and anionic (carbonate) precursor additions. Calcium additions also influenced phase formation, introducing a metastable phase (octacalcium phosphate) and a different phase evolution sequence. Copyright © 2014 Elsevier Inc. All rights reserved.

  10. Reversible island nucleation and growth with anomalous diffusion

    Science.gov (United States)

    Sabbar, Ehsan H.; Amar, Jacques G.

    2017-10-01

    Motivated by recent experiments on submonolayer organic film growth with anomalous diffusion, a general rate-equation (RE) theory of submonolayer island nucleation and growth was developed (Amar and Semaan, 2016) [23], which takes into account the critical island-size i, island fractal dimension df, substrate dimension d, and diffusion exponent μ, and good agreement with simulations was found for the case of irreversible growth corresponding to a critical island-size i = 1 with d = 2 . However, since many experiments correspond to a critical island-size larger than 1, it is of interest to determine if the RE predictions also hold in the case of reversible island nucleation with anomalous diffusion. Here we present the results of simulations of submonolayer growth with i = 2 (d = 2) which were carried out for both the case of superdiffusion (μ > 1) and subdiffusion (μ deposited monomers, excellent agreement is obtained with the predictions of the generalized RE theory for the exponents χ(μ) and χ1(μ) which describe the dependence of the island and monomer densities at fixed coverage on deposition rate F. In addition, the exponents do not depend on whether or not monomers remain superdiffusive or are thermalized (e.g. undergo regular diffusion) after detaching from a dimer. However, we also find that, as was previously found in the case of irreversible growth, the exponent χ only approaches its asymptotic value logarithmically with increasing 1/F. This result has important implications for the interpretation of experiments. Good agreement with the RE theory is also found in the case of subdiffusion for point-islands. However, in the case of ramified islands with subdiffusion and i = 2 , the exponents are significantly higher than predicted due to the fact that monomer capture dominates in the nucleation regime. A modified RE theory which takes this into account is presented, and excellent agreement is found with our simulations.

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

    International Nuclear Information System (INIS)

    Mokshin, Anatolii V; Galimzyanov, Bulat N

    2012-01-01

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

  12. Nucleation of dislocation loops during irradiation in binary FCC alloys with different alloy compositions

    International Nuclear Information System (INIS)

    Hashimoto, T.; Shigenaka, N.; Fuse, M.

    1992-01-01

    Dislocation loop nucleation is analyzed using a rate theory based model for face-centered cubic (fcc) binary alloys containing A- and B-atoms. In order to calculate the nucleation process in concentrated alloys, the model considers three types of interstitial dumbbells composed of A- and B-atoms, AA-, BB-, and AB-type dumbbells. Conversions between these interstitial dumbbells are newly introduced in the formulation in consideration of dumbbell configurations and movements. The model also includes reactions, such as point defect production by irradiation, mutual recombination of an interstitial and a vacancy, and dislocation loop nucleation and growth. Parameter values are chosen based on the atom size of the alloy component elements, and dislocation loop nucleation kinetics are investigated while varying alloy compositions. Two different types of kinetics are obtained in accordance with the dominant loop nucleus type. The migration energy difference of AA- and BB-type interstitial dumbbells is important in the determination of the dominant loop nucleus type. The present model predicts that the dislocation loop concentration decrease with increasing under sized atoms content, but defect production rate and temperature dependences of loop concentration are insensitive to alloy compositions. (author)

  13. Evolution of particle composition in CLOUD nucleation experiments

    CERN Document Server

    Keskinen, H; Joutsensaari, J; Tsagkogeorgas, G; Duplissy, J; Schobesberger, S; Gysel, M; Riccobono, F; Bianchi, F; Yli-Juuti, T; Lehtipalo, K; Rondo, L; Breitenlechner, M; Kupc, A; Almeida, J; Amorim, A; Dunne, E M; Downard, A J; Ehrhart, S; Franchin, A; Kajos, M K; Kirkby, J; Kurten, A; Nieminen, T; Makhmutov, V; Mathot, S; Miettinen, P; Onnela, A; Petaja, T; Praplan, A; Santos, F D; Schallhart, S; Sipila, M; Stozhkov, Y; Tome, A; Vaattovaara, P; Wimmer, D; Prevot, A; Dommen, J; Donahue, N M; Flagan, R C; Weingartner, E; Viisanen, Y; Riipinen, I; Hansel, A; Curtius, J; Kulmala, M; Worsnop, D R; Baltensperger, U; Wex, H; Stratmann, F; Laaksonen, A; Slowik, J G

    2013-01-01

    Sulphuric acid, ammonia, amines, and oxidised organics play a crucial role in nanoparticle formation in the atmosphere. In this study, we investigate the composition of nucleated nanoparticles formed from these compounds in the CLOUD (Cosmics Leaving Outdoor Droplets) chamber experiments at CERN (Centre europ ́ een pour la recherche nucl ́ eaire). The investigation was carried out via analysis of the particle hygroscopicity, ethanol affinity, oxidation state, and ion composition. Hygroscopicity was studied by a hygroscopic tandem differential mobility analyser and a cloud condensation nuclei counter, ethanol affinity by an organic differential mobility analyser and particle oxidation level by a high-resolution time-of-flight aerosol mass spectrometer. The ion composition was studied by an atmospheric pressure interface time-of-flight mass spectrometer. The volume fraction of the organics in the particles during theirgrowth from sizes of a few nanometers to tens of nanometers was derived from measured hygros...

  14. Intermediate Nucleation State of GaN Growth

    Science.gov (United States)

    Zheng, L. X.; Xie, M. H.; Tong, S. Y.

    2001-03-01

    Homoexpitaxial nucleation of GaN during molecular-beam epitaxy is followed by scanning tunneling microcopy (STM). We observe a metastable nucleation state, which manifests as “ghost” islands in STM images. These “ghost” islands can be irreversibly driven into normal islands by continuous STM imaging. It is further established that the “ghost” island formation is related to the presence of excess Ga atoms on the surface: Normal islands are only seen under the N-rich or stoichiometric flux condition, whereas “ghost” islands are observed under Ga-rich conditions. For intermediate excess-Ga coverages, both normal and “ghost” islands are present, however, they show distinctly different sizes, suggesting different nucleation states for the two. A growth model is proposed to account for the formation of metastable, “ghost” islands. Kinetic Monte Carlo simulation is carried out and main features of the surface are reproduced. We acknowledge financial support from HK RGC under grant Nos. 7396/00P, 7142/99P, and 7121/00P.

  15. Uncovering molecular processes in crystal nucleation and growth by using molecular simulation.

    Science.gov (United States)

    Anwar, Jamshed; Zahn, Dirk

    2011-02-25

    Exploring nucleation processes by molecular simulation provides a mechanistic understanding at the atomic level and also enables kinetic and thermodynamic quantities to be estimated. However, whilst the potential for modeling crystal nucleation and growth processes is immense, there are specific technical challenges to modeling. In general, rare events, such as nucleation cannot be simulated using a direct "brute force" molecular dynamics approach. The limited time and length scales that are accessible by conventional molecular dynamics simulations have inspired a number of advances to tackle problems that were considered outside the scope of molecular simulation. While general insights and features could be explored from efficient generic models, new methods paved the way to realistic crystal nucleation scenarios. The association of single ions in solvent environments, the mechanisms of motif formation, ripening reactions, and the self-organization of nanocrystals can now be investigated at the molecular level. The analysis of interactions with growth-controlling additives gives a new understanding of functionalized nanocrystals and the precipitation of composite materials. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Observation of propane cluster size distributions during nucleation and growth in a Laval expansion

    Energy Technology Data Exchange (ETDEWEB)

    Ferreiro, Jorge J.; Chakrabarty, Satrajit; Schläppi, Bernhard; Signorell, Ruth [Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog Weg 2, CH-8093 Zürich (Switzerland)

    2016-12-07

    We report on molecular-level studies of the condensation of propane gas and propane/ethane gas mixtures in the uniform (constant pressure and temperature) postnozzle flow of Laval expansions using soft single-photon ionization by vacuum ultraviolet light and mass spectrometric detection. The whole process, from the nucleation to the growth to molecular aggregates of sizes of several nanometers (∼5 nm), can be monitored at the molecular level with high time-resolution (∼3 μs) for a broad range of pressures and temperatures. For each time, pressure, and temperature, a whole mass spectrum is recorded, which allows one to determine the critical cluster size range for nucleation as well as the kinetics and mechanisms of cluster-size specific growth. The detailed information about the size, composition, and population of individual molecular clusters upon condensation provides unique experimental data for comparison with future molecular-level simulations.

  17. Nucleation and growth of the Naica giant gypsum crystals.

    Science.gov (United States)

    Otálora, Fermín; García-Ruiz, JuanMa

    2014-04-07

    The Cave of Giant Crystals in the Naica mine (Mexico) is one of the most amazing displays of mineral beauty ever created in nature. In addition to the colossal crystals of gypsum, which in some cases exceed eleven meters in length and one meter in thickness, the scenery fashioned by the crystalline beams that thrust through the darkness of the cave from floor to ceiling with a luster like moonlight is a unique example of harmony based on crystal symmetry. We review the crystallogenesis of this remarkable and challenging phenomenon of mineralization near equilibrium that can be used to teach the basics of nucleation and crystal growth.

  18. Theories of nucleation and growth of bubbles and voids

    International Nuclear Information System (INIS)

    Speight, M.V.

    1977-01-01

    The application of classical nucleation theory to the formation of voids from a supersaturated concentration of vacancies is reviewed. The effect of a dissolved concentration of barley soluble gas on the nucleation rate of voids is emphasized. Exposure to a damaging flux of irradiation is the most effective way of introducing a vacancy supersaturation, but interstitials are produced at an equal rate. The concentration of interstitials inhibits the nucleation of voids which can occur only in the presence of dislocations since they preferentially absorb interstitials. It is well known that a definite value of internal gas pressure is necessary to stabilize a bubble so that it shows no tendencies to either shrink or grow. The arguments are reviewed which conclude that this pressure is determined by the specific surface free energy of the solid rather than the surface tension. While the former property refers to the energy necessary to create new surface, the latter is a measure of the work done in elastically stretching a a given surface. The presence of an equilibrium gas bubble leaves the stresses in the surrounding solid unperturbed only when surface energy and surface tension are numerically equal. A bubble with internal pressure greater than the restraint offered by surface energy tends to grow to relieve the excess pressure. The mechanism of growth can involve the migration of vacancies from remote sources to the bubble surface or the plastic straining of the solid surrounding the bubble. The kinetics of both mechanisms are developed and compared. The theory of growth of grain-boundary voids by vacancy condensation under an applied stress is also considered. (author)

  19. Hysteresis, nucleation and growth phenomena in spin-crossover solids

    Science.gov (United States)

    Ridier, Karl; Molnár, Gábor; Salmon, Lionel; Nicolazzi, William; Bousseksou, Azzedine

    2017-12-01

    The observation and the study of first-order phase transitions in cooperative spin-crossover (SCO) solids exhibiting hysteresis behaviours are of particular interest and currently constitute a burgeoning area in the field of bistable molecular materials. The understanding and the control of the transition mechanisms (nucleation and growth processes) and their dynamics within the hysteresis region appear to be a general and appealing problem from a fundamental point of view and for technological applications as well. This review reports on the recent progresses and most important findings made on the spatiotemporal dynamics of the spin transition in SCO solids, particularly through the universal nucleation and growth process. Both thermally induced and light-induced spin transitions are discussed. We open up this review to the central question of the evolution of the transition mechanisms and dynamics in SCO nano-objects, which constitute promising systems to reach ultra-fast switching, and the experimental issues inherent to such studies at the micro- and nanometric scale.

  20. Visual observation of gas hydrates nucleation and growth at a water - organic liquid interface

    Science.gov (United States)

    Stoporev, Andrey S.; Semenov, Anton P.; Medvedev, Vladimir I.; Sizikov, Artem A.; Gushchin, Pavel A.; Vinokurov, Vladimir A.; Manakov, Andrey Yu.

    2018-03-01

    Visual observation of nucleation sites of methane and methane-ethane-propane hydrates and their further growth in water - organic liquid - gas systems with/without surfactants was carried out. Sapphire Rocking Cell RCS6 with transparent sapphire cells was used. The experiments were conducted at the supercooling ΔTsub = 20.2 °C. Decane, toluene and crude oils were used as organics. Gas hydrate nucleation occurred on water - metal - gas and water - sapphire - organic liquid three-phase contact lines. At the initial stage of growth hydrate crystals rapidly covered the water - gas or water - organics interfaces (depending on the nucleation site). Further hydrate phase accrete on cell walls (sapphire surface) and into the organics volume. At this stage, growth was accompanied by water «drawing out» from under initial hydrate film formed at water - organic interface. Apparently, it takes place due to water capillary inflow in the reaction zone. It was shown that the hydrate crystal morphology depends on the organic phase composition. In the case of water-in-decane emulsion relay hydrate crystallization was observed in the whole sample, originating most likely due to the hydrate crystal intergrowth through decane. Contacts of such crystals with adjacent water droplets result in rapid hydrate crystallization on this droplet.

  1. Aerosol nucleation and growth and their coupling to thermal hydraulics

    International Nuclear Information System (INIS)

    Clement, C.F.

    1985-01-01

    We examine the physical processes leading to vapour condensation as an aerosol in the formation and cooling of vapour-gas mixtures. Requirements for mathematical, computer and experimental modelling are discussed in relation to nuclear aerosols. In the absence of sudden pressure drops we give a complete schematic set of equations which govern the motion of aerosol, vapour, gas and heat including radiation. The coupling to the aerosol equation is mainly through the droplet growth rate, R, and a nucleation term whose possible forms are described. Rapid equilibration between vapour and aerosol means that the likely heterogeneous nucleation term must be treated separately. General forms are given for the coupling terms in the equations for vapour concentration and temperature in terms of the local mass transfer rate to the aerosol. The properties of this quantity are shown clearly by an expression for it obtained in terms of Lewis and condensation numbers and the quantify, zeta, whose derivative gives the local total heat transfer rate. Sizes of these numbers are given for some relevant vapour-gas mixtures. Throughout the paper we give the physical requirements necessary to make the transitions to the more calculable cases of uniform or well-mixed aerosols, and finally we discuss the case of initially unsaturated vapour-gas mixtures. (orig.)

  2. Ultrasound assisted nucleation and growth characteristics of glycine polymorphs--a combined experimental and analytical approach.

    Science.gov (United States)

    Renuka Devi, K; Raja, A; Srinivasan, K

    2015-05-01

    For the first time, the effect of ultrasound in the diagnostic frequency range of 1-10 MHz on the nucleation and growth characteristics of glycine has been explored. The investigation employing the ultrasonic interferometer was carried out at a constant insonation time over a wide range of relative supersaturation from σ=-0.09 to 0.76 in the solution. Ultrasound promotes only α nucleation and completely inhibits both the β and γ nucleation in the system. The propagation of ultrasound assisted mass transport facilitates nucleation even at very low supersaturation levels in the solution. The presence of ultrasound exhibits a profound effect on nucleation and growth characteristics in terms of decrease in induction period, increase in nucleation rate and decrease in crystal size than its absence in the solution. With an increase in the frequency of ultrasound, a further decrease in induction period, increase in nucleation rate and decrease in the size of the crystal is noticed even at the same relative supersaturation levels. The increase in the nucleation rate explains the combined dominating effects of both the ultrasound frequency and the supersaturation in the solution. Analytically, the nucleation parameters of the nucleated polymorph have been deduced at different ultrasonic frequencies based on the classical nucleation theory and correlations with the experimental results have been obtained. Structural affirmation of the nucleated polymorph has been ascertained by powder X-ray diffraction. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Interface Mediated Nucleation and Growth of Dislocations in fcc-bcc nanocomposite

    Science.gov (United States)

    Zhang, Ruifeng; Wang, Jian; Beyerlein, Irene J.; Germann, Timothy C.

    2011-03-01

    Heterophase interfaces play a crucial role in determining material strength for nanostructured materials because they can block, store, nucleate, and remove dislocations, the essential defects that enable plastic deformation. Much recent theoretical and experimental effort has been conducted on nanostructured Cu-Nb multilayer composites that exhibited extraordinarily high strength, ductility, and resistance to radiation and mechanical loading. In decreasing layer thicknesses to the order of a few tens of nanometers or less, the deformation behavior of such composites is mainly controlled by the Cu/Nb interface. In this work, we focus on the cooperative mechanisms of dislocation nucleation and growth from Cu/Nb interfaces, and their interaction with interface. Two types of experimentally observed Cu/Nb incoherent interfaces are comparatively studied. We found that the preferred dislocation nucleation sites are closely related to atomic interface structure, which in turn, depend on the orientation relationship. The activation stress and energies for an isolated Shockley dislocation loop of different sizes from specific interface sites depend strongly on dislocation size, atomic interface pattern, and loading conditions. Such findings provide important insight into the mechanical response of a wide range of fcc/bcc metallic nanocomposites via atomic interface design.

  4. A Proposed Model for Protein Crystal Nucleation and Growth

    Science.gov (United States)

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

    2002-01-01

    How does one take a molecule, strongly asymmetric in both shape and charge distribution, and assemble it into a crystal? We propose a model for the nucleation and crystal growth process for tetragonal lysozyme, based upon fluorescence, light, neutron, and X-ray scattering data, size exclusion chromatography experiments, dialysis kinetics, AFM, and modeling of growth rate data, from this and other laboratories. The first species formed is postulated to be a 'head to side' dimer. Through repeating associations involving the same intermolecular interactions this grows to a 4(sub 3) helix structure, that in turn serves as the basic unit for nucleation and subsequent crystal growth. High salt attenuates surface charges while promoting hydrophobic interactions. Symmetry facilitates subsequent helix-helix self-association. Assembly stability is enhanced when a four helix structure is obtained, with each bound to two neighbors. Only two unique interactions are required. The first are those for helix formation, where the dominant interaction is the intermolecular bridging anion. The second is the anti-parallel side-by-side helix-helix interaction, guided by alternating pairs of symmetry related salt bridges along each side. At this stage all eight unique positions of the P4(sub3)2(sub 1),2(sub 1) unit cell are filled. The process is one of a) attenuating the most strongly interacting groups, such that b) the molecules begin to self-associate in defined patterns, so that c) symmetry is obtained, which d) propagates as a growing crystal. Simple and conceptually obvious in hindsight, this tells much about what we are empirically doing when we crystallize macromolecules. By adjusting the growth parameters we are empirically balancing the intermolecular interactions, preferentially attenuating the dominant strong (for lysozyme the charged groups) while strengthening the lesser strong (hydrophobic) interactions. In the general case for proteins the lack of a singularly defined

  5. First Measurements of Time-Dependent Nucleation as a Function of Composition in Na2O.2CaO.3SiO2 Glasses

    Science.gov (United States)

    Kelton, K. F.; Narayan, K. Lakshmi

    1996-01-01

    The first measurements in any system of the composition dependence of the time-dependent nucleation rate are presented Nucleation rates of the stoichiometric crystalline phase, Na2O.2CaO.3SiO2, from quenched glasses made with different SiO2 concentrations were determined as a function of temperature and glass composition. A strong compositional dependence of the nucleation rates and a weak dependence for the induction times are observed. Using measured values of the liquidus temperatures and growth velocities as a function of glass composition, these data are shown to be consistent with predictions from the classical theory of nucleation, assuming a composition-dependent interfacial energy.

  6. Nucleation and growth kinetics of zirconium hydroxide by precipitation with ammonium hydroxide

    International Nuclear Information System (INIS)

    Carleson, T.E.; Chipman, N.A.

    1987-01-01

    The results of a study of the nucleation and growth kinetics of the precipitation of zirconium hydroxide from the reaction of hexafluorozirconate solution with ammonium hydroxide are reported. The McCabe linear growth rate model was used to correlate the results. The growth rate decreased with residence time and supersaturation for studies with 7 residence times (3.5 - 90 minutes and two supersaturation ratios (0.03 - 0.04, and 0.4). The nucleation rate increased with residence time and supersaturation. A negative kinetic order of nucleation was observed that may be due to the inhibition of particle growth by adsorption of reacting species on the crystal surfaces

  7. An inverse modeling procedure to determine particle growth and nucleation rates from measured aerosol size distributions

    Directory of Open Access Journals (Sweden)

    B. Verheggen

    2006-01-01

    Full Text Available Classical nucleation theory is unable to explain the ubiquity of nucleation events observed in the atmosphere. This shows a need for an empirical determination of the nucleation rate. Here we present a novel inverse modeling procedure to determine particle nucleation and growth rates based on consecutive measurements of the aerosol size distribution. The particle growth rate is determined by regression analysis of the measured change in the aerosol size distribution over time, taking into account the effects of processes such as coagulation, deposition and/or dilution. This allows the growth rate to be determined with a higher time-resolution than can be deduced from inspecting contour plots ('banana-plots''. Knowing the growth rate as a function of time enables the evaluation of the time of nucleation of measured particles of a certain size. The nucleation rate is then obtained by integrating the particle losses from time of measurement to time of nucleation. The regression analysis can also be used to determine or verify the optimum value of other parameters of interest, such as the wall loss or coagulation rate constants. As an example, the method is applied to smog chamber measurements. This program offers a powerful interpretive tool to study empirical aerosol population dynamics in general, and nucleation and growth in particular.

  8. Microlayer Topology And Bubble Growth In Nucleate Boiling

    Science.gov (United States)

    Jawurek, H. H.; Macgregor, H. G.; Bodenheimer, J. S.

    1987-09-01

    During nucleate boiling thin liquid films (nicrolayers) form beneath the base of bubbles and evaporate into the bubble interiors. A technique is presented which permits the simultaneous determination of microlayer topology and the contribution of microlayer evaporation to bubble growth. Isolated-bubble boiling takes place on an electrically heated, transparent tin-oxide coating deposited on a glass plate, the latter forming the floor of a vessel. With coherent Claser) illumination from beneath, the microlayers reflect fringe patterns similar to Newton's rings. Owing to the rapid evaporation of the layers (the process is completed within milliseconds) the fringes are in rapid motion and are recorded by eine photography at some 4 000 frames per second and exposure times of 50 μs. The resulting interferograms provide details of microlayer shape and thickness versus time, and thus evaporation rate. Simultaneously, and on the same film, bubble profiles (and thus volumes) are obtained under white light illumination. The two bubble images are manipulated by mirrors and lenses so as to appear side by side on the same frame of film, the fringes magnified and the profiles reduced. Sample results for methanol boiling at a pressure of 58.5 kPa and with the liquid bulk at saturation temperature, are presented. Under such conditions microlayer evaporation accounts for 37 per cent of the total bubble volume at detachment.

  9. Nucleation and growth of fatigue cracks in magnesium alloys of different structure

    International Nuclear Information System (INIS)

    Grinberg, N.M.; Serdyuk, V.A.; Malinkina, T.I.; Kamyshkov, A.S.

    1982-01-01

    Duration of the fatigue crack nucleation and growth rate have been in a wide range of stress intensity factor variations for MA2-1, MA2-1 hp (higher purity), MA12, (T2, T6 and T8), MA15, IMB6, MA21 magnesium alloys of different composition and structural state. The threshold and criti- cal values of stress intensity factors, Ksub(th) and Ksub(fc) are determined for those alloys, and morphology of fracture is studied at different stages of crack growth. Duration of the nucleation stage of a fatigue crack, the rate and micromechanisms of its growth are found to depedend on alloying and structural state of magnesium alloys. The best crack resistance characteristics has the MA2-1 alloy, the poorest - MA12 (T2) alloy. It is stated that thermal treatment by hardening and ageing increases the resistance of the MA12 alloy to fatigue fracture and the MA2-1 alloy of higher purity gives poorer parameters of crack resistance [ru

  10. Trapping shape-controlled nanoparticle nucleation and growth stages via continuous-flow chemistry

    KAUST Repository

    LaGrow, Alec P.; Besong, Tabot M.D.; AlYami, Noktan; Katsiev, Khabiboulakh; Anjum, Dalaver H.; Abdelkader, Ahmed; Da Costa, Pedro M. F. J.; Burlakov, Victor M.; Goriely, Alain; Bakr, Osman

    2017-01-01

    Continuous flow chemistry is used to trap the nucleation and growth stages of platinum-nickel nano-octahedra with second time resolution and high throughputs to probe their properties ex situ. The growth starts from poorly crystalline particles (nucleation) at 5 seconds, to crystalline 1.5 nm particles bounded by the {111}-facets at 7.5 seconds, followed by truncation and further growth to octahedral nanoparticles at 20 seconds.

  11. Trapping shape-controlled nanoparticle nucleation and growth stages via continuous-flow chemistry.

    Science.gov (United States)

    LaGrow, Alec P; Besong, Tabot M D; AlYami, Noktan M; Katsiev, Khabiboulakh; Anjum, Dalaver H; Abdelkader, Ahmed; Costa, Pedro M F J; Burlakov, Victor M; Goriely, Alain; Bakr, Osman M

    2017-02-21

    Continuous flow chemistry is used to trap the nucleation and growth stages of platinum-nickel nano-octahedra with second time resolution and high throughputs to probe their properties ex situ. The growth starts from poorly crystalline particles (nucleation) at 5 seconds, to crystalline 1.5 nm particles bounded by the {111}-facets at 7.5 seconds, followed by truncation and further growth to octahedral nanoparticles at 20 seconds.

  12. Trapping shape-controlled nanoparticle nucleation and growth stages via continuous-flow chemistry

    KAUST Repository

    LaGrow, Alec P.

    2017-02-06

    Continuous flow chemistry is used to trap the nucleation and growth stages of platinum-nickel nano-octahedra with second time resolution and high throughputs to probe their properties ex situ. The growth starts from poorly crystalline particles (nucleation) at 5 seconds, to crystalline 1.5 nm particles bounded by the {111}-facets at 7.5 seconds, followed by truncation and further growth to octahedral nanoparticles at 20 seconds.

  13. Nucleation and Growth of GaN on GaAs (001) Substrates

    International Nuclear Information System (INIS)

    Drummond, Timothy J.; Hafich, Michael J.; Heller, Edwin J.; Lee, Stephen R.; Liliental-Weber, Zuzanna; Ruvimov, Sergei; Sullivan, John P.

    1999-01-01

    The nucleation of GaN thin films on GaAs is investigated for growth at 620 ''C. An rf plasma cell is used to generate chemically active nitrogen from N 2 . An arsenic flux is used in the first eight monolayer of nitride growth to enhance nucleation of the cubic phase. Subsequent growth does not require an As flux to preserve the cubic phase. The nucleation of smooth interfaces and GaN films with low stacking fault densities is dependent upon relative concentrations of active nitrogen species in the plasma and on the nitrogen to gallium flux ratio

  14. Mediating conducting polymer growth within hydrogels by controlling nucleation

    Directory of Open Access Journals (Sweden)

    A. J. Patton

    2015-01-01

    Full Text Available 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.

  15. Microstructure development in Kolmogorov, Johnson-Mehl, and Avrami nucleation and growth kinetics

    Science.gov (United States)

    Pineda, Eloi; Crespo, Daniel

    1999-08-01

    A statistical model with the ability to evaluate the microstructure developed in nucleation and growth kinetics is built in the framework of the Kolmogorov, Johnson-Mehl, and Avrami theory. A populational approach is used to compute the observed grain-size distribution. The impingement process which delays grain growth is analyzed, and the effective growth rate of each population is estimated considering the previous grain history. The proposed model is integrated for a wide range of nucleation and growth protocols, including constant nucleation, pre-existing nuclei, and intermittent nucleation with interface or diffusion-controlled grain growth. The results are compared with Monte Carlo simulations, giving quantitative agreement even in cases where previous models fail.

  16. Nucleation and growth characterization by field-ion microscopy

    International Nuclear Information System (INIS)

    Inal, O.T.; Scherer, A.

    1985-01-01

    Field-ion microscopy affords atomic resolution and thus is ideally suited for studies involving the nucleation and growth of overlayers on the conical field-emission end forms. The added capability of filed-assisted removal of atomic layers gives this technique a unique three-dimensional capability which is invaluable for the controlled removal of atomic layers and delineation of the depth information. The description of the transition from overlayer to substrate is afforded by a change in the ratio of best image to field evaporation voltages (BIV/FEV). Since the adatom layers are necessarily quite thin (>20 nm) a careful characterization in an SEM and the associated energy dispersive x-ray analysis (EDAX) is certainly worthwhile. The modes of deposition utilized in the studies to be presented include in-situ vapor deposition, electroless (cementation) and electrodeposition of metallic and oxide overgrowths. In-situ vapor deposition allows for imaging-coating-reimaging practice without the introduction of artifacts on these small substrate surfaces quite prone to air of humidity induced etching and alteration. Vapor deposition thus affords the only means of full recovery of the imaging surface at thin coverages. The extent of the coverage can be increased by in-situ tip heating and through reduced misfit between the two species of concern. Although electrolytic or electroless depositions afford much thicker overgrowths, the contact of the field-emission end form with an aqueous medium results in a chemical dissolution that increases with the increasing pH of the solution. The recovered surface is a new surface generated through this etching but still containing the imaging features of the substrate and thus is quite easy to distinguish

  17. Fundamental aspects of nucleation and growth in the solution-phase synthesis of germanium nanocrystals

    KAUST Repository

    Codoluto, Stephen C.; Baumgardner, William J.; Hanrath, Tobias

    2010-01-01

    Colloidal Ge nanocrystals (NCs) were synthesized via the solution phase reduction of germanium(ii) iodide. We report a systematic investigation of the nanocrystal nucleation and growth as a function of synthesis conditions including the nature

  18. Atomic Scale Imaging of Nucleation and Growth Trajectories of an Interfacial Bismuth Nanodroplet.

    Science.gov (United States)

    Li, Yingxuan; Bunes, Benjamin R; Zang, Ling; Zhao, Jie; Li, Yan; Zhu, Yunqing; Wang, Chuanyi

    2016-02-23

    Because of the lack of experimental evidence, much confusion still exists on the nucleation and growth dynamics of a nanostructure, particularly of metal. The situation is even worse for nanodroplets because it is more difficult to induce the formation of a nanodroplet while imaging the dynamic process with atomic resolution. Here, taking advantage of an electron beam to induce the growth of Bi nanodroplets on a SrBi2Ta2O9 platelet under a high resolution transmission electron microscope (HRTEM), we directly observed the detailed growth pathways of Bi nanodroplets from the earliest stage of nucleation that were previously inaccessible. Atomic scale imaging reveals that the dynamics of nucleation involves a much more complex trajectory than previously predicted based on classical nucleation theory (CNT). The monatomic Bi layer was first formed in the nucleation process, which induced the formation of the prenucleated clusters. Following that, critical nuclei for the nanodroplets formed both directly from the addition of atoms to the prenucleated clusters by the classical growth process and indirectly through transformation of an intermediate liquid film based on the Stranski-Krastanov growth mode, in which the liquid film was induced by the self-assembly of the prenucleated clusters. Finally, the growth of the Bi nanodroplets advanced through the classical pathway and sudden droplet coalescence. This study allows us to visualize the critical steps in the nucleation process of an interfacial nanodroplet, which suggests a revision of the perspective of CNT.

  19. Nanometer-Scale Chemistry of a Calcite Biomineralization Template: Implications for Skeletal Composition and Nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Branson, Oscar; Bonnin, Elisa A.; Perea, Daniel E.; Spero, Howard J.; Zhu, Zihua; Winters, Maria; Hönisch, Bärbel; Russell, Ann D.; Fehrenbacher, Jennifer S.; Gagnon, Alexander C.

    2016-10-28

    Biomineralizing organisms exhibit exquisite control over skeletal morphology and composition. The promise of understanding and harnessing this feat of natural engineering has motivated an intense search for the mechanisms that direct in vivo mineral self-assembly. We used atom probe tomography, a sub-nanometer 3D chemical mapping technique, to examine the chemistry of a buried organic-mineral interface in biomineral calcite from a marine foraminifer. The chemical patterns at this interface capture the processes of early biomineralization, when the shape, mineralogy, and orientation of skeletal growth are initially established. Sodium is enriched by a factor of nine on the organic side of the interface. Based on this pattern, we suggest that sodium plays an integral role in early biomineralization, potentially altering interfacial energy to promote crystal nucleation, and that interactions between organic surfaces and electrolytes other than calcium or carbonate could be a crucial aspect of CaCO3 biomineralization.

  20. Temperature sensitivity of void nucleation and growth parameters for single crystal copper: a molecular dynamics study

    International Nuclear Information System (INIS)

    Rawat, S; Chavan, V M; Warrier, M; Chaturvedi, S

    2011-01-01

    The effect of temperature on the void nucleation and growth is studied using the molecular dynamics (MD) code LAMMPS (Large-Scale Atomic/Molecular Massively Parallel Simulator). Single crystal copper is triaxially expanded at 5 × 10 9  s −1 strain rate keeping the temperature constant. It is shown that the nucleation and growth of voids at these atomistic scales follows a macroscopic nucleation and growth (NAG) model. As the temperature increases there is a steady decrease in the nucleation and growth thresholds. As the melting point of copper is approached, a double-dip in the pressure–time profile is observed. Analysis of this double-dip shows that the first minimum corresponds to the disappearance of the long-range order due to the creation of stacking faults and the system no longer has a FCC structure. There is no nucleation of voids at this juncture. The second minimum corresponds to the nucleation and incipient growth of voids. We present the sensitivity of NAG parameters to temperature and the analysis of double-dip in the pressure–time profile for single crystal copper at 1250 K

  1. Cloud condensation nuclei droplet growth kinetics of ultrafine particles during anthropogenic nucleation events

    Science.gov (United States)

    Shantz, N. C.; Pierce, J. R.; Chang, R. Y.-W.; Vlasenko, A.; Riipinen, I.; Sjostedt, S.; Slowik, J. G.; Wiebe, A.; Liggio, J.; Abbatt, J. P. D.; Leaitch, W. R.

    2012-02-01

    Evolution of the cloud condensation nucleus (CCN) activity of 36 ± 4 nm diameter anthropogenic aerosol particles at a water supersaturation of 1.0 ± 0.1% is examined for particle nucleation and growth. During the early stages of one event, relatively few of the anthropogenic particles at 36 nm were CCN active and their growth rates by water condensation were delayed relative to ammonium sulphate particles. As the event progressed, the particle size distribution evolved to larger sizes and the relative numbers of particles at 36 nm that were CCN active increased until all the 36 nm particles were activating at the end of the event. Based on the chemistry of larger particles and the results from an aerosol chemical microphysics box model, the increase in CCN activity of the particles was most likely the result of the condensation of sulphate in this case. Despite the increased CCN activity, a delay was observed in the initial growth of these particles into cloud droplets, which persisted even when the aerosol was most CCN active later in the afternoon. Simulations show that the delay in water uptake is explained by a reduction of the mass accommodation coefficient assuming that the composition of the 36 nm particles is the same as the measured composition of the 60-100 nm particles.

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

    Czech Academy of Sciences Publication Activity Database

    Chvoj, Zdeněk; Chromcová, Zdeňka

    2012-01-01

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

  3. A review on radiation-induced nucleation and growth of colloidal metallic nanoparticles

    OpenAIRE

    Abedini, Alam; Daud, Abdul Razak; Abdul Hamid, Muhammad Azmi; Kamil Othman, Norinsan; Saion, Elias

    2013-01-01

    This review presents an introduction to the synthesis of metallic nanoparticles by radiation-induced method, especially gamma irradiation. This method offers some benefits over the conventional methods because it provides fully reduced and highly pure nanoparticles free from by-products or chemical reducing agents, and is capable of controlling the particle size and structure. The nucleation and growth mechanism of metallic nanoparticles are also discussed. The competition between nucleation ...

  4. A Thermal Technique of Fault Nucleation, Growth, and Slip

    Science.gov (United States)

    Garagash, D.; Germanovich, L. N.; Murdoch, L. C.; Martel, S. J.; Reches, Z.; Elsworth, D.; Onstott, T. C.

    2009-12-01

    Fractures and fluids influence virtually all mechanical processes in the crust, but many aspects of these processes remain poorly understood largely because of a lack of controlled field experiments at appropriate scale. We have developed an in-situ experimental approach to create carefully controlled faults at scale of ~10 meters using thermal techniques to modify in situ stresses to the point where the rock fails in shear. This approach extends experiments on fault nucleation and growth to length scales 2-3 orders of magnitude greater than are currently possible in the laboratory. The experiments could be done at depths where the modified in situ stresses are sufficient to drive faulting, obviating the need for unrealistically large loading frames. Such experiments require an access to large rock volumes in the deep subsurface in a controlled setting. The Deep Underground Science and Engineering Laboratory (DUSEL), which is a research facility planned to occupy the workings of the former Homestake gold mine in the northern Black Hills, South Dakota, presents an opportunity for accessing locations with vertical stresses as large as 60 MPa (down to 2400 m depth), which is sufficient to create faults. One of the most promising methods for manipulating stresses to create faults that we have evaluated involves drilling two parallel planar arrays of boreholes and circulating cold fluid (e.g., liquid nitrogen) to chill the region in the vicinity of the boreholes. Cooling a relatively small region around each borehole causes the rock to contract, reducing the normal compressive stress throughout much larger region between the arrays of boreholes. This scheme was evaluated using both scaling analysis and a finite element code. Our results show that if the boreholes are spaced by ~1 m, in several days to weeks, the normal compressive stress can be reduced by 10 MPa or more, and it is even possible to create net tension between the borehole arrays. According to the Mohr

  5. Bubble nucleation and growth in very strong cosmological phase transitions

    Energy Technology Data Exchange (ETDEWEB)

    Mégevand, Ariel, E-mail: megevand@mdp.edu.ar; Ramírez, Santiago

    2017-06-15

    Strongly first-order phase transitions, i.e., those with a large order parameter, are characterized by a considerable supercooling and high velocities of phase transition fronts. A very strong phase transition may have important cosmological consequences due to the departures from equilibrium caused in the plasma. In general, there is a limit to the strength, since the metastability of the old phase may prevent the transition to complete. Near this limit, the bubble nucleation rate achieves a maximum and thus departs from the widely assumed behavior in which it grows exponentially with time. We study the dynamics of this kind of phase transitions. We show that in some cases a gaussian approximation for the nucleation rate is more suitable, and in such a case we solve analytically the evolution of the phase transition. We compare the gaussian and exponential approximations with realistic cases and we determine their ranges of validity. We also discuss the implications for cosmic remnants such as gravitational waves.

  6. The global influence of dust mineralogical composition on heterogeneous ice nucleation in mixed-phase clouds

    International Nuclear Information System (INIS)

    Hoose, C; Lohmann, U; Erdin, R; Tegen, I

    2008-01-01

    Mineral dust is the dominant natural ice nucleating aerosol. Its ice nucleation efficiency depends on the mineralogical composition. We show the first sensitivity studies with a global climate model and a three-dimensional dust mineralogy. Results show that, depending on the dust mineralogical composition, coating with soluble material from anthropogenic sources can lead to quasi-deactivation of natural dust ice nuclei. This effect counteracts the increased cloud glaciation by anthropogenic black carbon particles. The resulting aerosol indirect effect through the glaciation of mixed-phase clouds by black carbon particles is small (+0.1 W m -2 in the shortwave top-of-the-atmosphere radiation in the northern hemisphere)

  7. Crystallization and melting behavior of isotactic polypropylene composites filled by zeolite supported β-nucleator

    International Nuclear Information System (INIS)

    Jiang, Juan; Li, Gu; Tan, Nanshu; Ding, Qian; Mai, Kancheng

    2012-01-01

    Highlights: ► The supported calcium pimelate β-zeolite was prepared. ► The β-nucleation of zeolite was enhanced dramatically through reaction. ► High β-phase content iPP composites were obtained by introducing the β-zeolite into iPP. - Abstract: In order to prepare the zeolite filled β-iPP composites, the calcium pimelate as β-nucleator supported on the surface of zeolite (β-zeolite) was prepared by the interaction between calcified zeolite and pimelic acid. The β-nucleation, crystallization behavior and melting characteristic of zeolite, calcified zeolite and β-zeolite filled iPP composites were investigated by differential scanning calorimetry and wide-angle X-ray diffractometer. The results indicated that addition of the zeolite and calcified zeolite as well as β-zeolite increased the crystallization temperature of iPP. The zeolite and calcified zeolite filled iPP composites mainly crystallized in the α-crystal form and the strong β-heterogeneous nucleation of β-zeolite results in the formation of only β-crystal in β-zeolite filled iPP composites. The zeolite filled β-iPP composites with high β-crystal contents (above 0.90) can be easily obtained by adding β-zeolite into iPP matrix.

  8. Helium bubble nucleation and growth in α-Fe: insights from first–principles simulations

    International Nuclear Information System (INIS)

    Xiao, W; Zhang, X; Lu, G; Geng, W T

    2014-01-01

    We have carried out a first-principles study on the nucleation and early-stage growth of He bubbles in Fe. The energetics, atomic and electronic structure of He-vacancy complexes, involving both a monovacancy and a nine-vacancy cluster, are examined. Based on the energetics, we then perform thermodynamics analysis to gain deeper insights into He bubble nucleation and growth. We have determined the energy cost for the nucleation of He bubbles and found that up to eight He atoms can be trapped at a single vacancy. In order to capture more He atoms, the vacancy has to emit Frenkel pairs to release the substantial stress building on the surrounding Fe lattice. Compared to the monovacancy, the nine-vacancy cluster has a lower energy cost for He bubble nucleation and growth. He atoms at the vacancy repel the surrounding electronic charge and redistribute it on the neighboring Fe atoms. The thermodynamic analysis reveals that He chemical potential provides a driving force for He bubble nucleation and growth. There are two critical He chemical potentials that are of particular importance: one of them marks the transition from single He occupation to multiple He occupation at a monovacancy while the other sets off He-induced superabundant vacancy formation. (paper)

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-06-07

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

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

    Science.gov (United States)

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

    2014-06-07

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

  12. Nucleation and growth mechanism for flame synthesis of MoO2 hollow microchannels with nanometer wall thickness.

    Science.gov (United States)

    Merchan-Merchan, Wilson; Saveliev, Alexei V; Taylor, Aaron M

    2009-12-01

    The growth and morphological evolution of molybdenum-oxide microstructures formed in the high temperature environment of a counter-flow oxy-fuel flame using molybdenum probes is studied. Experiments conducted using various probe retention times show the sequence of the morphological changes. The morphological row begins with micron size objects exhibiting polygonal cubic shape, develops into elongated channels, changes to large structures with leaf-like shape, and ends in dendritic structures. Time of probe-flame interaction is found to be a governing parameter controlling the wide variety of morphological patterns; a molecular level growth mechanism is attributed to their development. This study reveals that the structures are grown in several consecutive stages: material "evaporation and transportation", "transformation", "nucleation", "initial growth", "intermediate growth", and "final growth". XRD analysis shows that the chemical compositions of all structures correspond to MoO(2).

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

    International Nuclear Information System (INIS)

    Herlach, Dieter

    2011-01-01

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

  14. Glassy aerosols with a range of compositions nucleate ice heterogeneously at cirrus temperatures

    Directory of Open Access Journals (Sweden)

    T. W. Wilson

    2012-09-01

    Full Text Available Atmospheric secondary organic aerosol (SOA is likely to exist in a semi-solid or glassy state, particularly at low temperatures and humidities. Previously, it has been shown that glassy aqueous citric acid aerosol is able to nucleate ice heterogeneously under conditions relevant to cirrus in the tropical tropopause layer (TTL. In this study we test if glassy aerosol distributions with a range of chemical compositions heterogeneously nucleate ice under cirrus conditions. Three single component aqueous solution aerosols (raffinose, 4-hydroxy-3-methoxy-DL-mandelic acid (HMMA and levoglucosan and one multi component aqueous solution aerosol (raffinose mixed with five dicarboxylic acids and ammonium sulphate were studied in both the liquid and glassy states at a large cloud simulation chamber. The investigated organic compounds have similar functionality to oxidised organic material found in atmospheric aerosol and have estimated temperature/humidity induced glass transition thresholds that fall within the range predicted for atmospheric SOA. A small fraction of aerosol particles of all compositions were found to nucleate ice heterogeneously in the deposition mode at temperatures relevant to the TTL (<200 K. Raffinose and HMMA, which form glasses at higher temperatures, nucleated ice heterogeneously at temperatures as high as 214.6 and 218.5 K respectively. We present the calculated ice active surface site density, ns, of the aerosols tested here and also of glassy citric acid aerosol as a function of relative humidity with respect to ice (RHi. We also propose a parameterisation which can be used to estimate heterogeneous ice nucleation by glassy aerosol for use in cirrus cloud models up to ~220 K. Finally, we show that heterogeneous nucleation by glassy aerosol may compete with ice nucleation on mineral dust particles in mid-latitudes cirrus.

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

    International Nuclear Information System (INIS)

    Fradera, J.; Cuesta-López, S.

    2013-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-12-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-03-31

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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

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

    DEFF Research Database (Denmark)

    Christensen, K. A.; Livbjerg, Hans

    2000-01-01

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

  20. Nucleation and condensational growth to CCN sizes during a sustained pristine biogenic SOA event in a forested mountain valley

    Directory of Open Access Journals (Sweden)

    J. R. Pierce

    2012-04-01

    Full Text Available The Whistler Aerosol and Cloud Study (WACS 2010, included intensive measurements of trace gases and particles at two sites on Whistler Mountain. Between 6–11 July 2010 there was a sustained high-pressure system over the region with cloud-free conditions and the highest temperatures of the study. During this period, the organic aerosol concentrations rose from <1 μg m−3 to ∼6 μg m−3. Precursor gas and aerosol composition measurements show that these organics were almost entirely of secondary biogenic nature. Throughout 6–11 July, the anthropogenic influence was minimal with sulfate concentrations <0.2 μg m−3 and SO2 mixing ratios ≈ 0.05–0.1 ppbv. Thus, this case provides excellent conditions to probe the role of biogenic secondary organic aerosol in aerosol microphysics. Although SO2 mixing ratios were relatively low, box-model simulations show that nucleation and growth may be modeled accurately if Jnuc = 3 × 10−7[H2SO4] and the organics are treated as effectively non-volatile. Due to the low condensation sink and the fast condensation rate of organics, the nucleated particles grew rapidly (2–5 nm h−1 with a 10–25% probability of growing to CCN sizes (100 nm in the first two days as opposed to being scavenged by coagulation with larger particles. The nucleated particles were observed to grow to ∼200 nm after three days. Comparisons of size-distribution with CCN data show that particle hygroscopicity (κ was ∼0.1 for particles larger 150 nm, but for smaller particles near 100 nm the κ value decreased near midway through the period from 0.17 to less than 0.06. In this environment of little anthropogenic influence and low SO2, the rapid growth rates of the regionally nucleated particles – due to condensation of biogenic SOA – results in an unusually high efficiency of conversion of

  1. A Discrete Fracture Network Model with Stress-Driven Nucleation and Growth

    Science.gov (United States)

    Lavoine, E.; Darcel, C.; Munier, R.; Davy, P.

    2017-12-01

    The realism of Discrete Fracture Network (DFN) models, beyond the bulk statistical properties, relies on the spatial organization of fractures, which is not issued by purely stochastic DFN models. The realism can be improved by injecting prior information in DFN from a better knowledge of the geological fracturing processes. We first develop a model using simple kinematic rules for mimicking the growth of fractures from nucleation to arrest, in order to evaluate the consequences of the DFN structure on the network connectivity and flow properties. The model generates fracture networks with power-law scaling distributions and a percentage of T-intersections that are consistent with field observations. Nevertheless, a larger complexity relying on the spatial variability of natural fractures positions cannot be explained by the random nucleation process. We propose to introduce a stress-driven nucleation in the timewise process of this kinematic model to study the correlations between nucleation, growth and existing fracture patterns. The method uses the stress field generated by existing fractures and remote stress as an input for a Monte-Carlo sampling of nuclei centers at each time step. Networks so generated are found to have correlations over a large range of scales, with a correlation dimension that varies with time and with the function that relates the nucleation probability to stress. A sensibility analysis of input parameters has been performed in 3D to quantify the influence of fractures and remote stress field orientations.

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

    NARCIS (Netherlands)

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

    2015-01-01

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

  3. Oriented nucleation and growth of anhydrite during direct sulfation of limestone

    DEFF Research Database (Denmark)

    Hu, Guilin; Dam-Johansen, Kim; Wedel, Stig

    2008-01-01

    The direct sulfation of limestone (Iceland Spar) was studied at 973 K in a fixed-bed reactor. Scanning electron microscopy examinations of the sulfated limestone particles show that the sulfation process involves oriented nucleation and growth of the solid product, anhydrite. The reason...

  4. Random nucleation and growth of Pt nanoparticles at the polarized interface between two immiscible electrolyte solutions

    Czech Academy of Sciences Publication Activity Database

    Trojánek, Antonín; Langmaier, Jan; Samec, Zdeněk

    2007-01-01

    Roč. 599, č. 2 (2007), s. 160-166 ISSN 0022-0728 R&D Projects: GA AV ČR IAA4040407 Institutional research plan: CEZ:AV0Z40400503 Keywords : polarized ITIES * deposition * platinum * random nucleation and growth Subject RIV: CG - Electrochemistry Impact factor: 2.580, year: 2007

  5. Nano-scale study of the nucleation and growth of calcium phosphate coating

    NARCIS (Netherlands)

    Barrère, F.; Snel, M.M.E.; van Blitterswijk, Clemens; de Groot, K.; Layrolle, Pierre

    2004-01-01

    The nucleation and growth of a calcium phosphate (Ca-P) coating deposited on titanium implants from simulated body fluid was investigated by using atomic force microscopy (AFM) and environmental scanning electron microscopy (ESEM). Forty titanium alloy plates were assigned into two groups. One group

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-15

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

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  9. Simulation of aerosol nucleation and growth in a turbulent mixing layer

    KAUST Repository

    Zhou, Kun

    2014-06-25

    A large-scale simulation of aerosol nucleation and growth in a turbulent mixing layer is performed and analyzed with the aim of elucidating the key processes involved. A cold gaseous stream is mixed with a hot stream of vapor, nanometer sized droplets nucleate as the vapor becomes supersaturated, and subsequently grow as more vapor condenses on their surface. All length and time scales of fluid motion and mixing are resolved and the quadrature method of moments is used to describe the dynamics of the condensing, non-inertial droplets. The results show that a region of high nucleation rate is located near the cold, dry stream, while particles undergo intense growth via condensation on the hot, humid vapor side. Supersaturation and residence times are such that number densities are low and neither coagulation nor vapor scavenging due to condensation are significant. The difference in Schmidt numbers of aerosol particles (approximated as infinity) and temperature and vapor (near unity) causes a drift of the aerosol particles in scalar space and contributes to a large scatter in the conditional statistics of aerosol quantities. The spatial distribution of the aerosol reveals high volume fraction on the hot side of the mixing layer. This distribution is due to drift against the mean and is related to turbulent mixing, which displaces particles from the nucleation region (cold side) into the growth region (hot side). Such a mechanism is absent in laminar flows and is a distinct feature of turbulent condensing aerosols.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-12-07

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

  11. Simulation of aerosol nucleation and growth in a turbulent mixing layer

    KAUST Repository

    Zhou, Kun; Attili, Antonio; Alshaarawi, Amjad; Bisetti, Fabrizio

    2014-01-01

    A large-scale simulation of aerosol nucleation and growth in a turbulent mixing layer is performed and analyzed with the aim of elucidating the key processes involved. A cold gaseous stream is mixed with a hot stream of vapor, nanometer sized droplets nucleate as the vapor becomes supersaturated, and subsequently grow as more vapor condenses on their surface. All length and time scales of fluid motion and mixing are resolved and the quadrature method of moments is used to describe the dynamics of the condensing, non-inertial droplets. The results show that a region of high nucleation rate is located near the cold, dry stream, while particles undergo intense growth via condensation on the hot, humid vapor side. Supersaturation and residence times are such that number densities are low and neither coagulation nor vapor scavenging due to condensation are significant. The difference in Schmidt numbers of aerosol particles (approximated as infinity) and temperature and vapor (near unity) causes a drift of the aerosol particles in scalar space and contributes to a large scatter in the conditional statistics of aerosol quantities. The spatial distribution of the aerosol reveals high volume fraction on the hot side of the mixing layer. This distribution is due to drift against the mean and is related to turbulent mixing, which displaces particles from the nucleation region (cold side) into the growth region (hot side). Such a mechanism is absent in laminar flows and is a distinct feature of turbulent condensing aerosols.

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

    Science.gov (United States)

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

    2018-04-01

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

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

    Science.gov (United States)

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

  14. Crystal nucleation in binary hard-sphere mixtures: the effect of order parameter on the cluster composition

    NARCIS (Netherlands)

    Ni, R.; Smallenburg, F.; Filion, L.C.; Dijkstra, M.

    2011-01-01

    We study crystal nucleation in a binary mixture of hard spheres and investigate the composition and size of the (non)critical clusters using Monte Carlo simulations. In order to study nucleation of a crystal phase in computer simulations, a one-dimensional order parameter is usually defined to

  15. Nucleation and Crystal Growth of Organic-Inorganic Lead Halide Perovskites under Different Relative Humidity.

    Science.gov (United States)

    Gao, Hao; Bao, Chunxiong; Li, Faming; Yu, Tao; Yang, Jie; Zhu, Weidong; Zhou, Xiaoxin; Fu, Gao; Zou, Zhigang

    2015-05-06

    Organic-inorganic lead halide perovskite compounds are very promising materials for high-efficiency perovskite solar cells. But how to fabricate high-quality perovksite films under controlled humidity conditions is still an important issue due to their sensitivity to moisture. In this study, we investigated the influence of ambient humidity on crystallization and surface morphology of one-step spin-coated perovskite films, as well as the performance of solar cells based on these perovskite films. On the basis of experimental analyses and thin film growth theory, we conclude that the influence of ambient humidity on nucleation at spin-coating stage is quite different from that on crystal growth at annealing stage. At the spin-coating stage, high nucleation density induced by high supersaturation prefers to appear under anhydrous circumstances, resulting in layer growth and high coverage of perovskite films. But at the annealing stage, the modest supersaturation benefits formation of perovskite films with good crystallinity. The films spin-coated under low relative humidity (RH) followed by annealing under high RH show an increase of crystallinity and improved performance of devices. Therefore, a mechanism of fast nucleation followed by modest crystal growth (high supersaturation at spin-coating stage and modest supersaturation at annealing stage) is suggested in the formation of high-quality perovskite films.

  16. Dynamic light scattering study of inhibition of nucleation and growth of hydroxyapatite crystals by osteopontin.

    Directory of Open Access Journals (Sweden)

    John R de Bruyn

    Full Text Available We study the effect of isoforms of osteopontin (OPN on the nucleation and growth of crystals from a supersaturated solution of calcium and phosphate ions. Dynamic light scattering is used to monitor the size of the precipitating particles and to provide information about their concentration. At the ion concentrations studied, immediate precipitation was observed in control experiments with no osteopontin in the solution, and the size of the precipitating particles increased steadily with time. The precipitate was identified as hydroxyapatite by X-ray diffraction. Addition of native osteopontin (nOPN extracted from rat bone caused a delay in the onset of precipitation and reduced the number of particles that formed, but the few particles that did form grew to a larger size than in the absence of the protein. Recombinant osteopontin (rOPN, which lacks phosphorylation, caused no delay in initial calcium phosphate precipitation but severely slowed crystal growth, suggesting that rOPN inhibits growth but not nucleation. rOPN treated with protein kinase CK2 to phosphorylate the molecule (p-rOPN produced an effect similar to that of nOPN, but at higher protein concentrations and to a lesser extent. These results suggest that phosphorylations are critical to OPN's ability to inhibit nucleation, whereas the growth of the hydroxyapatite crystals is effectively controlled by the highly acidic OPN polypeptide. This work also demonstrates that dynamic light scattering can be a powerful tool for delineating the mechanism of protein modulation of mineral formation.

  17. Temperature effect on the nucleation and growth of TiO2 colloidal nanoparticles

    Directory of Open Access Journals (Sweden)

    Morteza Sasani Ghamsari

    2017-01-01

    Full Text Available The nucleation and growth of sol-gel derived TiO2 colloidal nanoparticles have been studied using  experiment and theory as well. In this study, the temperature effect on the formation of TiO2 nanoparticles was discussed and some effective parameters such as the supply rate of solute (Q0, the mean volumic growth rate of stable nuclei during the nucleation period (u, the diffusion coefficient of [Ti]+4 ions and the nucleus size were determined. The formation of TiO2 nanoparticles in three different temperatures (60, 70 and 80°C was studied. The obtained results showed that the process temperature has a considerable impact on the nucleation and growth of TiO2 nanoparticles. It can be concluded that  increasing the temperature leads to a decrease of the supersaturation and an increase of the nucleus size, supply rate of monomer, nanoparticles density and growth rate as evident from LaMer diagram.

  18. Dynamic Light Scattering Study of Inhibition of Nucleation and Growth of Hydroxyapatite Crystals by Osteopontin

    Science.gov (United States)

    de Bruyn, John R.; Goiko, Maria; Mozaffari, Maryam; Bator, Daniel; Dauphinee, Ron L.; Liao, Yinyin; Flemming, Roberta L.; Bramble, Michael S.; Hunter, Graeme K.; Goldberg, Harvey A.

    2013-01-01

    We study the effect of isoforms of osteopontin (OPN) on the nucleation and growth of crystals from a supersaturated solution of calcium and phosphate ions. Dynamic light scattering is used to monitor the size of the precipitating particles and to provide information about their concentration. At the ion concentrations studied, immediate precipitation was observed in control experiments with no osteopontin in the solution, and the size of the precipitating particles increased steadily with time. The precipitate was identified as hydroxyapatite by X-ray diffraction. Addition of native osteopontin (nOPN) extracted from rat bone caused a delay in the onset of precipitation and reduced the number of particles that formed, but the few particles that did form grew to a larger size than in the absence of the protein. Recombinant osteopontin (rOPN), which lacks phosphorylation, caused no delay in initial calcium phosphate precipitation but severely slowed crystal growth, suggesting that rOPN inhibits growth but not nucleation. rOPN treated with protein kinase CK2 to phosphorylate the molecule (p-rOPN) produced an effect similar to that of nOPN, but at higher protein concentrations and to a lesser extent. These results suggest that phosphorylations are critical to OPN’s ability to inhibit nucleation, whereas the growth of the hydroxyapatite crystals is effectively controlled by the highly acidic OPN polypeptide. This work also demonstrates that dynamic light scattering can be a powerful tool for delineating the mechanism of protein modulation of mineral formation. PMID:23457612

  19. Towards establishing a combined rate law of nucleation and crystal growth - The case study of gypsum precipitation

    Science.gov (United States)

    Rendel, Pedro M.; Gavrieli, Ittai; Wolff-Boenisch, Domenik; Ganor, Jiwchar

    2018-03-01

    The main obstacle in the formulation of a quantitative rate-model for mineral precipitation is the absence of a rigorous method for coupling nucleation and growth processes. In order to link both processes, we conducted a series of batch experiments in which gypsum nucleation was followed by crystal growth. Experiments were carried out using various stirring methods in several batch vessels made of different materials. In the experiments, the initial degree of supersaturation of the solution with respect to gypsum (Ωgyp) was set between 1.58 and 1.82. Under these conditions, heterogeneous nucleation is the dominant nucleation mode. Based on changes in SO42- concentration with time, the induction time of gypsum nucleation and the following rate of crystal growth were calculated for each experiment. The induction time (6-104 h) was found to be a function of the vessel material, while the rates of crystal growth, which varied over three orders of magnitude, were strongly affected by the stirring speed and its mode (i.e. rocking, shaking, magnetic stirrer, and magnetic impeller). The SO42- concentration data were then used to formulate a forward model that couples the simple rate laws for nucleation and crystal growth of gypsum into a single kinetic model. Accordingly, the obtained rate law is based on classical nucleation theory and heterogeneous crystal growth.

  20. Influence of copper morphology in forming nucleation seeds for graphene growth.

    Science.gov (United States)

    Han, Gang Hee; Güneş, Fethullah; Bae, Jung Jun; Kim, Eun Sung; Chae, Seung Jin; Shin, Hyeon-Jin; Choi, Jae-Young; Pribat, Didier; Lee, Young Hee

    2011-10-12

    We report that highly crystalline graphene can be obtained from well-controlled surface morphology of the copper substrate. Flat copper surface was prepared by using a chemical mechanical polishing method. At early growth stage, the density of graphene nucleation seeds from polished Cu film was much lower and the domain sizes of graphene flakes were larger than those from unpolished Cu film. At later growth stage, these domains were stitched together to form monolayer graphene, where the orientation of each domain crystal was unexpectedly not much different from each other. We also found that grain boundaries and intentionally formed scratched area play an important role for nucleation seeds. Although the best monolayer graphene was grown from polished Cu with a low sheet resistance of 260 Ω/sq, a small portion of multilayers were also formed near the impurity particles or locally protruded parts.

  1. Particles growth by steam nucleation in a containment. The PITEAS experiment

    International Nuclear Information System (INIS)

    Layly, V.D.

    1993-01-01

    One of the major issues of the fission products inventory in the containment of a nuclear power plant during the few hours following the initiating phase of a severe accident (involving core degradation and fission products release from the fuel) is the physical behaviour of the aerosols suspended in the containment atmosphere. The aerosol mass concentration versus time is controlled by agglomeration, sedimentation, deposition on walls and steam nucleation phenomena. In order to assess the Nuclear Safety codes dealing with such phenomena, analytical experiments are necessary. PITEAS is an analytical experiment, on the behaviour of soluble aerosols in humid atmosphere. The PITEAS program covers three topics: diffusiophoresis, agglomeration and particle growth by steam nucleation. In the present work, we analyse the results of the tests devoted to the soluble particle growth and how such results are used to assess the IPSN code AEROSOL-B2 code, part of the System of codes ESCADRE. (author)

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  3. Cluster Dynamics Modeling with Bubble Nucleation, Growth and Coalescence

    Energy Technology Data Exchange (ETDEWEB)

    de Almeida, Valmor F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Blondel, Sophie [Univ. of Tennessee, Knoxville, TN (United States); Bernholdt, David E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wirth, Brian D. [Univ. of Tennessee, Knoxville, TN (United States)

    2017-06-01

    The topic of this communication pertains to defect formation in irradiated solids such as plasma-facing tungsten submitted to helium implantation in fusion reactor com- ponents, and nuclear fuel (metal and oxides) submitted to volatile ssion product generation in nuclear reactors. The purpose of this progress report is to describe ef- forts towards addressing the prediction of long-time evolution of defects via continuum cluster dynamics simulation. The di culties are twofold. First, realistic, long-time dynamics in reactor conditions leads to a non-dilute di usion regime which is not accommodated by the prevailing dilute, stressless cluster dynamics theory. Second, long-time dynamics calls for a large set of species (ideally an in nite set) to capture all possible emerging defects, and this represents a computational bottleneck. Extensions beyond the dilute limit is a signi cant undertaking since no model has been advanced to extend cluster dynamics to non-dilute, deformable conditions. Here our proposed approach to model the non-dilute limit is to monitor the appearance of a spatially localized void volume fraction in the solid matrix with a bell shape pro le and insert an explicit geometrical bubble onto the support of the bell function. The newly cre- ated internal moving boundary provides the means to account for the interfacial ux of mobile species into the bubble, and the growth of bubbles allows for coalescence phenomena which captures highly non-dilute interactions. We present a preliminary interfacial kinematic model with associated interfacial di usion transport to follow the evolution of the bubble in any number of spatial dimensions and any number of bubbles, which can be further extended to include a deformation theory. Finally we comment on a computational front-tracking method to be used in conjunction with conventional cluster dynamics simulations in the non-dilute model proposed.

  4. Nucleation and Growth of Covalent Organic Frameworks from Solution: The Example of COF-5

    KAUST Repository

    Li, Haoyuan

    2017-10-24

    The preparation of two-dimensional covalent organic frameworks (2D COFs) with large crystalline domains and controlled morphology is necessary for realizing the full potential of their atomically precise structures and uniform, tailorable porosity. Currently 2D COF syntheses are developed empirically, and most materials are isolated as insoluble and unprocessable powders with typical crystalline domain sizes smaller than 50 nm. Little is known about their nucleation and growth processes, which involve a combination of covalent bond formation, degenerate exchange, and non-covalent stacking processes. A deeper understanding of the chemical processes that lead to COF polymerization and crystallization is key to achieving improved materials quality and control. Here, we report a kinetic Monte Carlo (KMC) model that describes the formation of a prototypical boronate-ester linked 2D COF known as COF-5 from its 2,3,6,7,10,11-hexahydroxytriphenylene and 1,4-phenylene bis(boronic acid) monomers in solution. The key rate parameters for the KMC model were derived from experimental measurements when possible and complemented with reaction pathway analyses, molecular dynamics simulations, and binding free-energy calculations. The essential features of experimentally measured COF-5 growth kinetics are reproduced well by the KMC simulations. In particular, the simulations successfully captured a nucleation process followed by a subsequent growth process. The nucleating species are found to be multi-layer structures that form through multiple pathways. During the growth of COF-5, extensions in the lateral (in-plane) and vertical (stacking) directions are both seen to be linear with respect to time and are dominated by monomer addition and oligomer association, respectively. Finally, we show that the experimental observations of increased average crystallite size with the addition of water are modeled accurately by the simulations. These results will inform the rational development

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

    Czech Academy of Sciences Publication Activity Database

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

    2014-01-01

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

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  7. Isotactic polypropylene/carbon nanotube composites prepared by latex technology. Thermal analysis of carbon nanotube-induced nucleation

    NARCIS (Netherlands)

    Miltner, H.E.; Grossiord, N.; Lu, K.; Loos, J.; Koning, C.E.; Van Mele, B.

    2008-01-01

    During nonisothermal crystallization of highly dispersed polypropylene/carbon nanotube (CNT) composites, considerable heterogeneous nucleation is observed to an extent scaling with the CNT surface area. Saturation occurs at higher loadings, reaching a plateau value for the crystallization onset

  8. Mechanism of nucleation and growth of hydrogen porosity in solidifying A356 aluminum alloy: an analytical solution

    International Nuclear Information System (INIS)

    Li, K.-D.; Chang, Edward

    2004-01-01

    This study derives an analytical solution for the mechanism of nucleation and growth of hydrogen pore in the solidifying A356 aluminum alloy. A model of initial transient hydrogen redistribution in the growing dendritic grain is used to modify the lever rule for the mechanism of nucleation of pore. The model predicts the fraction of solid at nucleation, the temperature range of nucleation, the radius of hydrogen diffusion cell, and the supersaturation of hydrogen needed for nucleation. The role of solidus velocity in nucleation is explained. The parameters calculated from the model of nucleation are used for analyzing the mechanism of kinetic diffusion-controlled growth of pore, in which the mathematical transformations of variables are introduced. With the transformations, it is argued that the diffusion problem involving the liquid and solid phases during solidification could be treated as a classic problem of precipitation in the single-phase medium treated by Ham or Avrami. The analytical solution for the nucleation of pore is compared with the mechanism of macrosegregation. The predicted volume percent of porosity and radius of pore based on the mechanism of growth of pore is discussed with respect to the thermodynamic solution, the published experimental data, the numerical solutions, and the role of interdendritic fluid flow governed by Darcy's law

  9. Nucleation and growth in alkaline zinc electrodeposition An Experimental and Theoretical study

    Science.gov (United States)

    Desai, Divyaraj

    The current work seeks to investigate the nucleation and growth of zinc electrodeposition in alkaline electrolyte, which is of commercial interest to alkaline zinc batteries for energy storage. The morphology of zinc growth places a severe limitation on the typical cycle life of such batteries. The formation of mossy zinc leads to a progressive deterioration of battery performance while zinc dendrites are responsible for sudden catastrophic battery failure. The problems are identified as the nucleation-controlled formation of mossy zinc and the transport-limited formation of dendritic zinc. Consequently, this thesis work seeks to investigate and accurately simulate the conditions under which such morphologies are formed. The nucleation and early-stage growth of Zn electrodeposits is studied on carbon-coated TEM grids. At low overpotentials, the morphology develops by aggregation at two distinct length scales: ~5 nm diameter monocrystalline nanoclusters form ~50nm diameter polycrystalline aggregates, and second, the aggregates form a branched network. Epitaxial (0002) growth above a critical overpotential leads to the formation of hexagonal single-crystals. A kinetic model is provided using the rate equations of vapor solidification to simulate the evolution of the different morphologies. On solving these equations, we show that aggregation is attributed to cluster impingement and cluster diffusion while single-crystal formation is attributed to direct attachment. The formation of dendritic zinc is investigated using in-operando transmission X-ray microscopy which is a unique technique for imaging metal electrodeposits. The nucleation density of zinc nuclei is lowered using polyaniline films to cover the active nucleation sites. The effect of overpotential is investigated and the morphology shows beautiful in-operando formation of symmetric zinc crystals. A linear perturbation model was developed to predict the growth and formation of these crystals to first

  10. Nucleation and growth of lead oxide particles in liquid lead-bismuth eutectic.

    Science.gov (United States)

    Gladinez, Kristof; Rosseel, Kris; Lim, Jun; Marino, Alessandro; Heynderickx, Geraldine; Aerts, Alexander

    2017-10-18

    Liquid lead-bismuth eutectic (LBE) is an important candidate to become the primary coolant of future, generation IV, nuclear fast reactors and Accelerator Driven System (ADS) concepts. One of the main challenges with the use of LBE as a coolant is to avoid its oxidation which results in solid lead oxide (PbO) precipitation. The chemical equilibria governing PbO formation are well understood. However, insufficient kinetic information is currently available for the development of LBE-based nuclear technology. Here, we report the results of experiments in which the nucleation, growth and dissolution of PbO in LBE during temperature cycling are measured by monitoring dissolved oxygen using potentiometric oxygen sensors. The metastable region, above which PbO nucleation can occur, has been determined under conditions relevant for the operation of LBE cooled nuclear systems and was found to be independent of setup geometry and thus thought to be widely applicable. A kinetic model to describe formation and dissolution of PbO particles in LBE is proposed, based on Classical Nucleation Theory (CNT) combined with mass transfer limited growth and dissolution. This model can accurately predict the experimentally observed changes in oxygen concentration due to nucleation, growth and dissolution of PbO, using the effective interfacial energy of a PbO nucleus in LBE as a fitting parameter. The results are invaluable to evaluate the consequences of oxygen ingress in LBE cooled nuclear systems under normal operating and accidental conditions and form the basis for the development of cold trap technology to avoid PbO formation in the primary reactor circuit.

  11. Cristal size distribution in metamorphic rocks: an example for the relationship between nucleation and growth rates with overstepping

    International Nuclear Information System (INIS)

    Homan, S. M.

    2003-01-01

    Crystal size distribution in metamorphic rocks provide fundamental information about crystal nucleation and growth rate, growth time and the degree of overstepping. Crystal size distribution data for garnet, saluretil, keynote, and and alusite crystals from the aureole demonstrate that the earliest formed of this minerals, garnet, has the highest population density and the shortest growth time. The last formed mineral, and alusite, has the lowest population density and longest growth time. keynote and saluretil have the similar population density and growth times intermediate between those of overstepping on the nucleation and growth rates of minerals during metamorphism

  12. Inhibition of nucleation and growth of ice by poly(vinyl alcohol) in vitrification solution.

    Science.gov (United States)

    Wang, Hai-Yan; Inada, Takaaki; Funakoshi, Kunio; Lu, Shu-Shen

    2009-08-01

    Control of ice formation is crucial in cryopreservation of biological substances. Successful vitrification using several additives that inhibit ice nucleation in vitrification solutions has previously been reported. Among these additives, here we focused on a synthetic polymer, poly(vinyl alcohol) (PVA), and investigated the effects of PVA on nucleation and growth of ice in 35% (w/w) aqueous 1,2-propanediol solution by using a differential scanning calorimetry (DSC) system equipped with a cryomicroscope. First, the freezing temperature of the solution was measured using the DSC system, and then the change in ice fraction in the solution during cooling was evaluated based on images obtained using the cryomicroscope, at different concentrations of PVA between 0% and 3% (w/w). Based on the ice fraction, the change in residual solution concentration during cooling was also evaluated and then plotted on the state diagram of aqueous 1,2-propanediol solution. Results indicated that, when the partially glassy and partially frozen state was intentionally allowed, the addition of PVA effectively inhibited not only ice nucleation but also ice growth in the vitrification solution. The effect of PVA on ice growth in the vitrification solution was explained based on kinetic limitations mainly due to mass transport. The interfacial kinetics also might limit ice growth in the vitrification solution only when the ice growth rate decreased below a critical value. This coincides with the fact that PVA exhibits a unique antifreeze activity in the same manner as antifreeze proteins when ice growth rate is lower than a critical value.

  13. Study Of Soot Growth And Nucleation By A Time-Resolved Synchrotron Radiation Based X-Ray Absorption Method

    National Research Council Canada - National Science Library

    Mitchell, Judith I

    2001-01-01

    This report results from a contract tasking University of Rennes I as follows: The contractor will perform a study of soot growth and nucleation by a time-resolved synchrotron radiation based x-ray absorption method...

  14. Analytical expression for the evolution of interfacial area density between transformed grains during nucleation and growth transformations

    DEFF Research Database (Denmark)

    Rios, P.R.; Godiksen, R.B.; Schmidt, Søren

    2006-01-01

    This paper shows that interfacial area density between transformed grains during nucleation and growth transformations and the contiguity are useful descriptors of microstructural evolution. These descriptors are evaluated analytically and compared with results from computer simulation. Usage...

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

    International Nuclear Information System (INIS)

    Yagov, V.V.

    1977-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-10-01

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

  17. Short fatigue cracks nucleation and growth in lean duplex stainless steel LDX 2101

    Energy Technology Data Exchange (ETDEWEB)

    Strubbia, R., E-mail: strubbia@ifir-conicet.gov.ar [Instituto de Física Rosario – CONICET, Universidad Nacional de Rosario (Argentina); Hereñú, S.; Alvarez-Armas, I. [Instituto de Física Rosario – CONICET, Universidad Nacional de Rosario (Argentina); Krupp, U. [Faculty of Engineering and Computer Science, University of Applied Sciences Osnabrück (Germany)

    2014-10-06

    This work is focused on the fatigue damage of lean duplex stainless steels (LDSSs) LDX 2101. Special interest is placed on analyzing short fatigue crack behavior. In this sense, short crack initiation and growth during low cycle fatigue (LCF) and short crack nucleation during high cycle fatigue (HCF) of this LDSS have been studied. The active slip systems and their associated Schmid factors (SF) are determined using electron backscattered diffraction (EBSD). Additionally, the dislocation structure developed during cycling is observed by transmission electron microscopy (TEM). Regardless of the fatigue regime, LCF and HCF, short cracks nucleate along intrusion/extrusions in ferritic grains. Moreover, during the LCF phase boundaries decelerate short crack propagation. These results are rationalized by the hardness of the constitutive phases and the dependence of screw dislocation mobility in the ferrite phase on strain rate and stress amplitude.

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

    Science.gov (United States)

    Cordier, Daniel; Liger-Belair, Gérard

    2018-05-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2018-01-01

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

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

    Science.gov (United States)

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

    2018-01-01

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

  1. Nucleation and Crystal Growth in the Formation of Hierarchical Three-Dimensional Nanoarchitecture

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xudong [Univ. of Wisconsin, Madison, WI (United States)

    2018-02-02

    This project is to obtain fundamental understandings of the operation of the Ostwald-Lussac (OL) Law and the oriented attachment (OA) mechanism in nucleation and growth of TiO2 nanorods (NR) via surface-reaction-limited pulsed chemical vapor deposition (SPCVD) process. Three-dimensional (3D) NW networks are a unique type of mesoporous architecture that offers extraordinary surface area density and superior transport properties of electrons, photons, and phonons. It is exceptionally promising for advancing the design and application of functional materials for photovoltaic devices, catalysts beds, hydrogen storage systems, sensors, and battery electrodes. Our group has developed the SPCVD technique by mimicking the mechanism of atomic layer deposition (ALD), which effectively decoupled the crystal growth from precursor concentration while retaining anisotropic 1D growth. For the first time, this technique realized a 3D NW architecture with ultrahigh density and achieved ~4-5 times enhancement on photo-conversion efficiency. Through the support of our current DOE award, we revealed the governing role of the OL Law in the nucleation stage of SPCVD. The formation of NR morphology in SPCVD was identified following the OA mechanism. We also discovered a unique vapor-phase Kirkendall effect in the evolution of tubular or core-shell NR structures. These understandings opened many new opportunities in designing 3D NW architectures with improved properties or new functionalities. Specifically, our accomplishments from this project include five aspects: (1) Observation of the Ostwald-Lussac Law in high-temperature ALD. (2) Observation of vapor-solid Kirkendall effect in ZnO-to-TiO2 nanostructure conversion. (3) Development of highly-efficient capillary photoelectrochemical (PEC) solar-fuel generation. (4) Development of efficient and stable electrochemical protections for black silicon PEC electrodes. (5) Development of doped polymers with tunable electrical properties. This

  2. Kinetic study of nucleation and crystal growth during oxalic precipitation in the nuclear industry

    International Nuclear Information System (INIS)

    Andrieu, Murielle

    1999-01-01

    In spite of an extensive use in chemical industry, most of precipitation processes are based on global and empirical knowledge. However, in the recent years, fundamental and phenomenological theories have been developed and they can be used to better understand the mechanisms of precipitation of plutonium IV oxalate, which is a significant stage of the irradiated fuel reprocessing. For this reason, appropriate methods were developed to study nucleation and crystal growth kinetics in a nuclear environment under a wide range of operating conditions. Each phenomena was studied individually in order to reduce the free parameters of the System. This study bears on the oxalates of plutonium and elements which simulate plutonium behaviour during the precipitation, neodymium III and uranium IV. A compact apparatus of a specific construction was used for nucleation measurements in accordance with the Nielsen's method. The state of the mixing was characterised at the reactor scale (macro-mixing) and at molecular scale (micro-mixing). The experimental results for the studied oxalates are in good agreement with the Volmer and Weber's theory. We propose primary nucleation kinetic laws over a wide range of operating conditions (temperature, non-stoichiometric conditions, acidity...). An original method, using a high seed charge, was developed for the determination of crystal growth kinetics, in a batch crystallizer. The crystal growth rate is first order with respect to the supersaturation and the kinetic constant follows an Arrhenius type relation with activation energies of 14, 29 and 36 kJ.mol -1 for respectively neodymium III, uranium IV and plutonium IV oxalates. The overall growth process is surface integration controlled, with a screw dislocation mechanism. [fr

  3. Amelogenin as a promoter of nucleation and crystal growth of apatite

    Science.gov (United States)

    Uskoković, Vuk; Li, Wu; Habelitz, Stefan

    2011-02-01

    Human dental enamel forms over a period of 2-4 years by substituting the enamel matrix, a protein gel mostly composed of a single protein, amelogenin with fibrous apatite nanocrystals. Self-assembly of amelogenin and the products of its selective proteolytic digestion are presumed to direct the growth of apatite fibers and their organization into bundles that eventually comprise the mature enamel, the hardest tissue in the mammalian body. This work aimed to establish the physicochemical and biochemical conditions for the growth of apatite crystals under the control of a recombinant amelogenin matrix (rH174) in combination with a programmable titration system. The growth of apatite substrates was initiated in the presence of self-assembling amelogenin particles. A series of constant titration rate experiments was performed that allowed for a gradual increase of the calcium and/or phosphate concentrations in the protein suspensions. We observed a significant amount of apatite crystals formed on the substrates following the titration of rH174 sols that comprised the initial supersaturation ratio equal to zero. The protein layers adsorbed onto the substrate apatite crystals were shown to act as promoters of nucleation and growth of calcium phosphates subsequently formed on the substrate surface. Nucleation lag time experiments have showed that rH174 tends to accelerate precipitation from metastable calcium phosphate solutions in proportion to its concentration. Despite their mainly hydrophobic nature, amelogenin nanospheres, the size and surface charge properties of which were analyzed using dynamic light scattering, acted as a nucleating agent for the crystallization of apatite. The biomimetic experimental setting applied in this study proves as convenient for gaining insight into the fundamental nature of the process of amelogenesis.

  4. Influence of beta instabilities on the early stages of nucleation and growth of alpha in beta titanium alloys

    Science.gov (United States)

    Nag, Soumya

    Microstructural evolution in beta Titanium alloys is an important factor that governs the properties exhibited by them. Intricate understanding of complex phase transformations in these alloys is vital to tailor their microstructures and in turn their properties to our advantage. One such important subject of study is the nucleation and growth of alpha precipitates triggered by the compositional instabilities in the beta matrix, instilled in them during non equilibrium heat treatments. The present work is an effort to investigate such a phenomenon. Here studies have been conducted primarily on two different beta-Titanium alloys of commercial relevance- Ti5553 (Ti-5Al-5Mo-5V-3Cr-0.5Fe), an alloy used in the aerospace industry for landing gear applications and, TNZT (Ti-35Nb-7Zr-5Ta), a potential load bearing orthopedic implant alloy. Apart from the effect of thermal treatment on these alloys, the focus of this work is to study the interplay between different alpha and beta stabilizers present in them. For this, advanced nano-scale characterization tools such as High Resolution STEM, High Resolution TEM, EFTEM and 3D Atom Probe have been used to determine the structure, distribution and composition of the non equilibrium instabilities such as beta' and o, and also to investigate the subsequent nucleation of stable alpha. Thus in this work, very early stages of phase separation via spinodal decomposition and second phase nucleation in titanium alloys are successfully probed at an atomic resolution. For the first time, atomically resolved HRSTEM 'Z'-contrast image is recorded showing modulated structures within the as-quenched beta matrix. Also in the same condition HRTEM results showed the presence of nanoscale alpha regions. These studies are revalidated by conventional selected area diffraction and 3D atom probe reconstruction results. Also TEM dark field and selected are diffraction studies are conducted to understand the effect of quenching and subsequent aging of

  5. Nucleation and growth of a BCC Fe phase deposited on a single crystal (001) Cu film

    International Nuclear Information System (INIS)

    Koike, J.

    1991-01-01

    As a thin film overlayer grows on a substrate with a different structure, the overlayer initially adopts the substrate structure and subsequently transforms to an equilibrium bulk structure. such a growth characteristic has been extensively studied in Fe/Cu bicrystals. An Fe overlayer grown on a Cu substrate is known to have the fcc structure up to a thickness of 2 nm, whereas a thicker Fe overlayer consists of submicrometer grains of the bcc-Cu has been reported in a relatively thick Fe film and was found to consist of the Nishiyama (N), Kurdjumov-Sacks (KS), or Pitsch (P), depending on the orientation of the substrate surface. However, previous studies have not explained how the bcc structure nucleates or how the observed submicrometer polycrystalline grains form. The paper provides an understanding of these two points. Transmission electron microscopy (TEM) was used to study Fe/Cu bicrystals as the Fe thickness was varied systematically. Analysis of moire fringes, which are caused by superposition of different structures, enabled us to determine the orientation relationship between the very thin Fe layer and the Cu substrate. We show that a single variant of the P orientation relationship, which accompanies atomic rearrangement parallel to the interface, predominates at the nucleation stage of the bcc structure. Nucleation of other variants of P, N, and KS occurs with increasing Fe thickness and causes the formation of the submicrometer bcc grains

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

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  7. Laboratory observations of temperature and humidity dependencies of nucleation and growth rates of sub-3 nm particles

    Science.gov (United States)

    Yu, Huan; Dai, Liang; Zhao, Yi; Kanawade, Vijay P.; Tripathi, Sachchida N.; Ge, Xinlei; Chen, Mindong; Lee, Shan-Hu

    2017-02-01

    Temperature and relative humidity (RH) are the most important thermodynamic parameters in aerosol formation, yet laboratory studies of nucleation and growth dependencies on temperature and RH are lacking. Here we report the experimentally observed temperature and RH dependences of sulfuric acid aerosol nucleation and growth. Experiments were performed in a flow tube in the temperature range from 248 to 313 K, RH from 0.8% to 79%, and relative acidity (RA) of sulfuric acid from 6 × 10-5 to 0.38 (2 × 107-109 cm-3). The impurity levels of base compounds were determined to be NH3 nucleation at fixed sulfuric acid concentration but impede nucleation when RA is fixed. It is also shown that binary nucleation of sulfuric acid and water is negligible in planetary boundary layer temperature and sulfuric acid ranges. An empirical algorithm was derived to correlate the nucleation rate with RA, RH, and temperature together. Collision-limited condensation of free-sulfuric acid molecules fails to predict the observed growth rate in the sub-3 nm size range, as well as its dependence on temperature and RH. This suggests that evaporation, sulfuric acid hydration, and possible involvement of other ternary molecules should be considered for the sub-3 nm particle growth.

  8. The influence of ion hydration on nucleation and growth of LiF crystals in aqueous solution.

    Science.gov (United States)

    Lanaro, G; Patey, G N

    2018-01-14

    Molecular dynamics (MD) simulations are employed to investigate crystal nucleation and growth in oversaturated aqueous LiF solutions. Results obtained for a range of temperatures provide evidence that the rate of crystal growth is determined by a substantial energy barrier (∼49 kJ mol -1 ) related to the loss of water from the ion hydration shells. Employing direct MD simulations, we do not observe spontaneous nucleation of LiF crystals at 300 K, but nucleation is easily observable in NVT simulations at 500 K. This contrasts with the NaCl case, where crystal nucleation is directly observed in similar simulations at 300 K. Based on these observations, together with a detailed analysis of ion clustering in metastable LiF solutions, we argue that the ion dehydration barrier also plays a key role in crystal nucleation. The hydration of the relatively small Li + and F - ions strongly influences the probability of forming large, crystal-like ion clusters, which are a necessary precursor to nucleation. This important factor is not accounted for in classical nucleation theory.

  9. Diffusion of helium and nucleation-growth of helium-bubbles in metallic materials

    International Nuclear Information System (INIS)

    Zhang Chonghong; Chen Keqin; Wang Yinshu

    2001-01-01

    Studies of diffusion and aggregation behaviour of helium in metallic materials are very important to solve the problem of helium embrittlement in structural materials used in the environment of nuclear power. Experimental studies on helium diffusion and aggregation in austenitic stainless steels in a wide temperature range have been performed in authors' research group and the main results obtained are briefly summarized. The mechanism of nucleation-growth of helium-bubbles has been discussed and some problems to be solved are also given

  10. Study of carbide-forming element interlayers for diamond nucleation and growth on silicon and WC-Co substrates

    International Nuclear Information System (INIS)

    Tang, Y.; Li, Y.S.; Yang, Q.; Hirose, A.

    2010-01-01

    Diamond nucleation and growth on several typical carbide-forming elements (CFE) (Ti, Cr and W) coated Si and WC-Co substrates were studied. The ion beam sputtered CFE interlayers show an amorphous/nanocrystalline microstructure. The diamond formed on the CFE coated substrates shows higher nucleation density and rate and finer grain structure than on uncoated substrates. Consequently, nanocrystalline diamond thin films can be formed on the CFE coated substrates under conventional microcrystalline diamond growth conditions. Among the three tested CFE interlayers, diamond has the highest nucleation density and rate on W layer and the lowest on Ti layer. The diamond nucleation density and rate on CFE coated WC-Co are much higher than those on widely used metal nitride coated WC-Co.

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

    Science.gov (United States)

    2015-01-01

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

  12. Decoding Nucleation and Growth of Zeolitic Imidazolate Framework Thin Films with Atomic Force Microscopy and Vibrational Spectroscopy.

    Science.gov (United States)

    Öztürk, Zafer; Filez, Matthias; Weckhuysen, Bert M

    2017-08-10

    The synthesis of metal-organic framework (MOF) thin films has garnered significant attention during the past decade. By better understanding the parameters governing the nucleation and growth of such thin films, their properties can be rationally tuned, empowering their application as (reactive) membranes. Here, a combined AFM-vibrational spectroscopy research strategy is employed to detail the chemistries governing the nucleation and growth of zeolitic imidazolate framework (ZIF) thin films, in particular isostructural Co-ZIF-67 and Zn-ZIF-8. First, a single step direct synthesis approach is used to investigate the influence of different synthesis parameters -metal/linker ratio, temperature, and metal type- on the thin film nucleation and growth behaviour. While the metal/linker ratio has a pronounced effect on the thin film nucleation rate, the temperature mainly influences the growth kinetics of nuclei forming the thin film. In addition, the nucleation and growth of ZIF thin films is shown to be highly dependent on the electronegativity of the metal type. Thin-film thickness control can be achieved by using a multistep synthesis strategy, implying repetitive applications of single step deposition under identical synthesis conditions, for which a growth mechanism is proposed. This study provides insight into the influence of synthesis parameters on the ZIF thin film properties, using tools at hand to rationally tune MOF thin film properties. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

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

    Directory of Open Access Journals (Sweden)

    Robert F Tournier

    2009-01-01

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

  14. Damage growth in aerospace composites

    CERN Document Server

    2015-01-01

    This book presents novel methods for the simulation of damage evolution in aerospace composites that will assist in predicting damage onset and growth and thus foster less conservative designs which realize the promised economic benefits of composite materials. The presented integrated numerical/experimental methodologies are capable of taking into account the presence of damage and its evolution in composite structures from the early phases of the design (conceptual design) through to the detailed finite element method analysis and verification phase. The book is based on the GARTEUR Research Project AG-32, which ran from 2007 to 2012, and documents the main results of that project. In addition, the state of the art in European projects on damage evolution in composites is reviewed. While the high specific strength and stiffness of composite materials make them suitable for aerospace structures, their sensitivity to damage means that designing with composites is a challenging task. The new approaches describ...

  15. Separation of time scales in one-dimensional directed nucleation-growth processes

    Science.gov (United States)

    Pierobon, Paolo; Miné-Hattab, Judith; Cappello, Giovanni; Viovy, Jean-Louis; Lagomarsino, Marco Cosentino

    2010-12-01

    Proteins involved in homologous recombination such as RecA and hRad51 polymerize on single- and double-stranded DNA according to a nucleation-growth kinetics, which can be monitored by single-molecule in vitro assays. The basic models currently used to extract biochemical rates rely on ensemble averages and are typically based on an underlying process of bidirectional polymerization, in contrast with the often observed anisotropic polymerization of similar proteins. For these reasons, if one considers single-molecule experiments, the available models are useful to understand observations only in some regimes. In particular, recent experiments have highlighted a steplike polymerization kinetics. The classical model of one-dimensional nucleation growth, the Kolmogorov-Avrami-Mehl-Johnson (KAMJ) model, predicts the correct polymerization kinetics only in some regimes and fails to predict the steplike behavior. This work illustrates by simulations and analytical arguments the limitation of applicability of the KAMJ description and proposes a minimal model for the statistics of the steps based on the so-called stick-breaking stochastic process. We argue that this insight might be useful to extract information on the time and length scales involved in the polymerization kinetics.

  16. Controlled Nucleation and Growth of DNA Tile Arrays within Prescribed DNA Origami Frames and Their Dynamics

    Science.gov (United States)

    2015-01-01

    Controlled nucleation of nanoscale building blocks by geometrically defined seeds implanted in DNA nanoscaffolds represents a unique strategy to study and understand the dynamic processes of molecular self-assembly. Here we utilize a two-dimensional DNA origami frame with a hollow interior and selectively positioned DNA hybridization seeds to control the self-assembly of DNA tile building blocks, where the small DNA tiles are directed to fill the interior of the frame through prescribed sticky end interactions. This design facilitates the construction of DNA origami/array hybrids that adopt the overall shape and dimensions of the origami frame, forming a 2D array in the core consisting of a large number of simple repeating DNA tiles. The formation of the origami/array hybrid was characterized with atomic force microscopy, and the nucleation dynamics were monitored by serial AFM scanning and fluorescence spectroscopy, which revealed faster kinetics of growth within the frame as compared to growth without the presence of a frame. Our study provides insight into the fundamental behavior of DNA-based self-assembling systems. PMID:24575893

  17. Study of rare gases behavior in uranium dioxide: diffusion and bubble nucleation and growth mechanisms

    International Nuclear Information System (INIS)

    Michel, A.

    2011-01-01

    During in-reactor irradiation of the nuclear fuel, fission gases, mainly xenon and krypton, are generated that are subject to several phenomena: diffusion and precipitation. These phenomena can have adverse consequences on the fuel physical and chemical properties and its in-reactor behavior. The purpose of this work is to better understand the behavior of fission gases by identifying diffusion, bubble nucleation and growth mechanisms. To do this, studies involving separate effects have been established coupling ion irradiations/implantations with fine characterizations on Large Scale Facilities. The influence of several parameters such as gas type, concentration and temperature has been identified separately. Interpretation of the Thermal Desorption Spectrometry (TDS) measurements has enabled us to determine xenon and krypton diffusion coefficients in uranium dioxide. A heterogeneous nucleation mechanism on defects was determined by means of experiments on the JANNuS platform in Orsay that consists of a coupling of an implantor, an accelerator and a Transmission Electron Microscope (TEM). Finally, TEM and X-ray Absorption Spectroscopy characterizations of implanted and annealed samples put in relieve a bubble growth mechanism by atoms and vacancies capture. (author) [fr

  18. Direct observation of atomic-level nucleation and growth processes from an ultrathin metallic glass films

    Energy Technology Data Exchange (ETDEWEB)

    Huang, K. Q.; Cao, C. R.; Sun, Y. T.; Li, J.; Bai, H. Y.; Zheng, D. N., E-mail: l.gu@iphy.ac.cn, E-mail: dzheng@iphy.ac.cn, E-mail: whw@iphy.ac.cn; Wang, W. H., E-mail: l.gu@iphy.ac.cn, E-mail: dzheng@iphy.ac.cn, E-mail: whw@iphy.ac.cn [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Gu, L., E-mail: l.gu@iphy.ac.cn, E-mail: dzheng@iphy.ac.cn, E-mail: whw@iphy.ac.cn [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100190 (China)

    2016-01-07

    Till date, there have been no direct atomic-level experimental observations of the earliest stages of the nucleation and growth processes of nanocrystals formed by thermally induced crystallization in ultrathin metallic glasses (MGs). Here, we present a study of the crystallization process in atomically thin and highly stable MG films using double spherical aberration-corrected scanning transmission electron microscopy (Cs-TEM). Taking advantage of the stability of MG films with a slow crystallization process and the atomic-level high resolution of Cs-TEM, we observe the formation of the nucleus precursor of nanocrystals formed by atom aggregation followed by concomitant coalescence and stepwise evolution of the shape of the nanocrystals with a monodispersed and separated bimodal size distribution. Molecular dynamics simulation of the atomic motion in the glass film on a rigid amorphous substrate confirms the stepwise evolution processes of atom aggregation, cluster formation, cluster movement on the substrate, and cluster coalescence into larger crystalline particles. Our results might provide a better fundamental understanding of the nucleation and growth processes of nanocrystals in thin MG films.

  19. Nucleation, growth and dissolution of extended defects in implanted Si: impact on dopant diffusion

    International Nuclear Information System (INIS)

    Claverie, A.; Giles, L.F.; Omri, M.; Mauduit, B. de; Ben Assayag, G.; Mathiot, D.

    1999-01-01

    Transient Enhanced Diffusion (TED) of boron in silicon is driven by the large supersaturations of self-interstitial silicon atoms left after implantation which also often lead to the nucleation and subsequent growth, upon annealing, of extended defects. In this paper we review selected experimental results and concepts concerning boron diffusion and/or defect behavior which have recently emerged with the ion implantation community and briefly indicate how they are, or will be, currently used to improve 'predictive simulations' softwares aimed at predicting TED. In a first part, we focus our attention on TED and on the formation of defects in the case of 'direct' implantation of boron in silicon. In a second part, we review our current knowledge of the defects and of the diffusion behavior of boron when annealing preamorphised Si. In a last part, we try to compare these two cases and to find out what are the reasons for some similarities and many differences in defect types and thermal evolution depending on whether boron is implanted in crystalline or amorphous silicon. While rising many more questions, we propose a 'thermodynamical' vision of the nucleation and growth of clusters and extended defects and stress the interactions between these defects and the free Si self-interstitial atoms which surround them and are the source for TED in all cases. A pragmatic approach to the simulation of TED for various experimental conditions is proposed

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

    Science.gov (United States)

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

    2018-01-01

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

  1. Chitosan and carboxymethyl-chitosan capping ligands: Effects on the nucleation and growth of hydroxyapatite nanoparticles for producing biocomposite membranes.

    Science.gov (United States)

    Dumont, Vitor C; Mansur, Alexandra A P; Carvalho, Sandhra M; Medeiros Borsagli, Fernanda G L; Pereira, Marivalda M; Mansur, Herman S

    2016-02-01

    Synthetic biomaterials based on calcium phosphates (CaP) have been widely studied for bone tissue reconstruction therapies, but no definitive solution that fulfills all of the required properties has been identified. Thus, this study reports the synthesis of composite membranes based on nanohydroxyapatite particles (nHA) embedded in chitosan (CHI) and O-carboxymethyl chitosan (CMC) matrices produced using a one-step co-precipitation method in water media. Biopolymers were used as capping ligands for simultaneously controlling the nucleation and growth of the nHA particles during the precipitation process and also to form the polymeric network of the biocomposites. The bionanocomposites were extensively characterized using light microscopy (LM), scanning and transmission electron microscopy (SEM/TEM), energy-dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), atomic force microscopy (AFM), X-ray micro-CT analysis (μCT), andMTT (3-(4,5-dimethylthiazolyl-2)-2,5-diphenyltetrazoliumbromide) cell proliferation assays for cell cytotoxicity. The results demonstrated that the ligands used during the synthesis highly affected the composites produced, primarily due the changes in the mechanisms and kinetics of nucleation and growth of the HA particles at the nanoscale level. The SEMimages revealed that the use of carboxyl-functionalized chitosan (CMC) ligands significantly reduced the average size of theHA nanoparticles and caused the formation of a narrower size distribution (90±20nm) compared to theHAnanoparticles producedwith chitosan ligands (220±50nm). The same trend was verified by the AFM analysis,where the nHA particles were formed evenly dispersed in the polymer matrix. However, the CMC-based composites were more homogeneously distributed, which was endorsed by the images collected via X-ray micro-CT. The FTIR spectra and the XRD analysis indicated that nanosized hydroxyapatite was the predominant calcium

  2. Nucleation and growth microstructural study of ti films on 304 SS substrates

    Directory of Open Access Journals (Sweden)

    Rogério de Almeida Vieira

    2004-09-01

    Full Text Available Coating of steel surfaces with titanium films has been studied with the objective to protect them against corrosion, and to create an intermediate film for CVD diamond and TiN film deposition. In this work, the nucleation, growth mechanisms and microstructural formation of the titanium films deposited on 304 stainless steel (304 SS substrate are presented and discussed. The titanium films of variable thickness were obtained by vapour phase deposition produced by electron beam. The surfaces of these samples were observed by scanning electron microscopy. The cross sections of these samples were observed by using an atomic force microscope. The Ti film-304 SS interfaces were analyzed by X-ray diffraction. The results showed that titanium films have a columnar growth. The Ti film-304 SS interface had a residual compression stress at room temperature due to the inter-diffusion process.

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

    Science.gov (United States)

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

    2017-08-28

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

  4. Chitosan and carboxymethyl-chitosan capping ligands: Effects on the nucleation and growth of hydroxyapatite nanoparticles for producing biocomposite membranes

    Energy Technology Data Exchange (ETDEWEB)

    Dumont, Vitor C.; Mansur, Alexandra A.P.; Carvalho, Sandhra M.; Medeiros Borsagli, Fernanda G.L.; Pereira, Marivalda M.; Mansur, Herman S., E-mail: hmansur@demet.ufmg.br

    2016-02-01

    Synthetic biomaterials based on calcium phosphates (CaP) have been widely studied for bone tissue reconstruction therapies, but no definitive solution that fulfills all of the required properties has been identified. Thus, this study reports the synthesis of composite membranes based on nanohydroxyapatite particles (nHA) embedded in chitosan (CHI) and O-carboxymethyl chitosan (CMC) matrices produced using a one-step co-precipitation method in water media. Biopolymers were used as capping ligands for simultaneously controlling the nucleation and growth of the nHA particles during the precipitation process and also to form the polymeric network of the biocomposites. The bionanocomposites were extensively characterized using light microscopy (LM), scanning and transmission electron microscopy (SEM/TEM), energy-dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), atomic force microscopy (AFM), X-ray micro-CT analysis (μCT), and MTT (3-(4,5-dimethylthiazolyl-2)-2,5-diphenyltetrazolium bromide) cell proliferation assays for cell cytotoxicity. The results demonstrated that the ligands used during the synthesis highly affected the composites produced, primarily due the changes in the mechanisms and kinetics of nucleation and growth of the HA particles at the nanoscale level. The SEM images revealed that the use of carboxyl-functionalized chitosan (CMC) ligands significantly reduced the average size of the HA nanoparticles and caused the formation of a narrower size distribution (90 ± 20 nm) compared to the HA nanoparticles produced with chitosan ligands (220 ± 50 nm). The same trend was verified by the AFM analysis, where the nHA particles were formed evenly dispersed in the polymer matrix. However, the CMC-based composites were more homogeneously distributed, which was endorsed by the images collected via X-ray micro-CT. The FTIR spectra and the XRD analysis indicated that nanosized hydroxyapatite was the

  5. Crystallization behavior and mechanical properties of nano-CaCO3/β-nucleated ethylene-propylene random copolymer composites

    Directory of Open Access Journals (Sweden)

    W. H. Ruan

    2012-09-01

    Full Text Available To provide ethylene-propylene random copolymer (PPR with balanced mechanical properties, β-nucleating agent and CaCO3 nanoparticles are incorporated into PPR matrix by melt blending. It is found that crystallization rate and relative content of β-crystal increase with the addition of β-nucleating agent together with nanoparticles. Size of PPR spherulite is greatly reduced, and a specific morphology appears, in which α-crystal lamella is grown upon the β-nucleus. The results suggest that both β-nucleating agent and nano-CaCO3 have heterogeneous nucleation and synergistic effects on β-nucleation of PPR. Mechanical characterization shows that mechanical properties of PPR can be tuned by incorporation of β-nucleating agent and nano-CaCO3 particles. Under suitable compositions, low temperature impact strength and high temperature creep resistance of PPR, the bottlenecks of application of such material, can be simultaneously improved without sacrificing the Youngs’modulus and tensile strength.

  6. Effect of nitrogen oxides (NO and NO2) and toluene on SO2 photooxidation, nucleation and growth: A smog chamber study

    Science.gov (United States)

    Li, Kangwei; Chen, Linghong; White, Stephen J.; Han, Ke; Lv, Biao; Bao, Kaiji; Wu, Xuecheng; Gao, Xiang; Azzi, Merched; Cen, Kefa

    2017-08-01

    The formation and growth of new particles has recently been shown to have a significant influence on Chinese haze pollution, and sulfuric acid has long been recognized as a major contributor to new particle formation. In this study, four comparison groups of experiments related to SO2 photooxidation, as well as aerosol nucleation and growth, have been conducted in the CAPS-ZJU (Complex Air Pollution Study-Zhejiang University) smog chamber. These were conducted either under SO2/NOx or SO2/toluene gas-phase environments in the absence of seed particles. During aerosol nucleation and growth process, several physical properties such as mass, size and effective density were measured simultaneously by Scanning Mobility Particle Sizer (SMPS) and Differential Mobility Analyzer-Aerosol Particle Mass Analyzer-Condensation Particle Counter (DMA-APM-CPC). The effective density of new particles decreased from 1.8 to 1.35 g/cm3 as the particle size increased from 20 to 65 nm. The single particle mass showed good power-law relationship with mobility diameter, with an average mass-mobility exponent of 2.885. A new algorithm and a reference density of 1.38 g/cm3 based on size-resolved single particle mass (SPM) were proposed to calculate the mass concentration of new particles. Two methods based on Log Normal and Max Concentration were applied to derive particle growth rate (GR), and data merging from both methods was implemented to decrease calculation uncertainty. Meanwhile, both continuous nucleation and inhibition of further growth in sub-20 nm size range were observed in different experiments depending on composition, and possible reasons were analyzed. The presence of NO was found to suppress nucleation and subsequent aerosol growth; while the presence of NO2 or toluene promoted it. It was concluded that decreasing NOx (NO or NO2) or increasing toluene may promote SO2 photooxidation, nucleation and subsequent aerosol growth, all of which is significant for deeper

  7. Wafer bowing control of free-standing heteroepitaxial diamond (100) films grown on Ir(100) substrates via patterned nucleation growth

    International Nuclear Information System (INIS)

    Yoshikawa, Taro; Kodama, Hideyuki; Kono, Shozo; Suzuki, Kazuhiro; Sawabe, Atsuhito

    2015-01-01

    The potential of patterned nucleation growth (PNG) technique to control the wafer bowing of free-standing heteroepitaxial diamond films was investigated. The heteroepitaxial diamond (100) films were grown on an Ir(100) substrate via PNG technique with different patterns of nucleation regions (NRs), which were dot-arrays with 8 or 13 μm pitch aligned to < 100 > or < 110 > direction of the Ir(100) substrate. The wafer bows and the local stress distributions of the free-standing films were measured using a confocal micro-Raman spectrometer. For each NR pattern, the stress evolutions within the early stage of diamond growth were also studied together with a scanning electron microscopic observation of the coalescing diamond particles. These investigations revealed that the NR pattern, in terms of pitch and direction of dot-array, strongly affects the compressive stress on the nucleation side of the diamond film and dominantly contributes to the elastic deformation of the free-standing film. This indicates that the PNG technique with an appropriate NR pattern is a promising solution to fabricate free-standing heteroepitaxial diamond films with extremely small bows. - Highlights: • Wafer bowing control of free-standing heteroepitaxial diamond (100) films • Effect of patterned nucleation and growth (PNG) technique on wafer bowing reduction • Influence of nucleation region patterns of PNG on wafer bowing • Internal stress analysis of PNG films via confocal micro-Raman spectroscopy

  8. Separation of nucleation and growth of voids during tensile deformation of a dual phase steel using synchrotron microtomography

    Energy Technology Data Exchange (ETDEWEB)

    Requena, Guillermo, E-mail: guillermo.requena@tuwien.ac.at [INSA-Lyon, MATEIS CNRS UMR5510, F-69621 Villeurbanne (France); Maire, Eric; Leguen, Claire [INSA-Lyon, MATEIS CNRS UMR5510, F-69621 Villeurbanne (France); Thuillier, Sandrine [LIMATB, Université de Bretagne-Sud, rue de Saint Maudé, BP 92116, 56321 Lorient Cedex (France)

    2014-01-01

    The damage evolution in a DP980 dual phase steel is followed in situ by synchrotron microtomography during tensile deformation focusing on the effect that the triaxiality, induced by different sample geometries, exerts on damage formation and damage evolution. The growth of existing voids is separated from the voids nucleated between consecutive deformation steps using three-dimensional image analysis. The experimental results are correlated with those obtained by finite element analysis using a Gurson–Tvergaard–Needleman framework with a Chu and Needleman formulation to introduce the effect of nucleation of cavities. A relatively simple way to determine the nucleation parameters is proposed based on the volume of nucleated voids obtained from the tomographies. The evolution of the total volume fraction of cavities obtained from the calculations shows a good agreement with the experiments for the notched samples and reflects the effect of triaxiality on damage. Contrarily to experiments, the calculated accumulated volume fraction of nucleated voids does not reflect the effect of triaxiality suggesting the necessity to implement this parameter in the nucleation model.

  9. Energetic Study of Helium Cluster Nucleation and Growth in 14YWT through First Principles

    Directory of Open Access Journals (Sweden)

    Yingye Gan

    2016-01-01

    Full Text Available First principles calculations have been performed to energetically investigate the helium cluster nucleation, formation and growth behavior in the nano-structured ferritic alloy 14YWT. The helium displays strong affinity to the oxygen:vacancy (O:Vac pair. By investigating various local environments of the vacancy, we find that the energy cost for He cluster growth increases with the appearance of solutes in the reference unit. He atom tends to join the He cluster in the directions away from the solute atoms. Meanwhile, the He cluster tends to expand in the directions away from the solute atoms. A growth criterion is proposed based on the elastic instability strain of the perfect iron lattice in order to determine the maximum number of He atoms at the vacancy site. We find that up to seven He atoms can be trapped at a single vacancy. However, it is reduced to five if the vacancy is pre-occupied by an oxygen atom. Furthermore, the solute atoms within nanoclusters, such as Ti and Y, will greatly limit the growth of the He cluster. A migration energy barrier study is performed to discuss the reduced mobility of the He atom/He cluster in 14YWT.

  10. Adsorption of organic molecules may explain growth of newly nucleated clusters and new particle formation

    Science.gov (United States)

    Wang, Jian; Wexler, Anthony S.

    2013-05-01

    New particle formation consists of formation of thermodynamically stable clusters from trace gas molecules (homogeneous nucleation) followed by growth of these clusters to a detectable size. Because of the large coagulation rate of clusters smaller than 3 nm with the preexisting aerosol population, for new particle formation to take place, these clusters need to grow sufficiently fast to escape removal by coagulation. Previous studies have indicated that condensation of low-volatility organic vapor may play an important role in the initial growth of the clusters. However, due to the relatively high vapor pressure and partial molar volume of even highly oxidized organic compounds, the strong Kelvin effect may prevent typical ambient organics from condensing on these small clusters. Earlier studies did not consider that adsorption of organic molecules on the cluster surface, due to the intermolecular forces between the organic molecule and cluster, may occur and substantially alter the growth process under sub-saturated conditions. Using the Brunauer-Emmett-Teller (BET) isotherm, we show that the adsorption of organic molecules onto the surface of clusters may significantly reduce the saturation ratio required for condensation of organics to occur, and therefore may provide a physico-chemical explanation for the enhanced initial growth by condensation of organics despite the strong Kelvin effect.

  11. Modeling of helium bubble nucleation and growth in neutron irradiated boron doped RAFM steels

    International Nuclear Information System (INIS)

    Dethloff, Christian; Gaganidze, Ermile; Svetukhin, Vyacheslav V.; Aktaa, Jarir

    2012-01-01

    Reduced activation ferritic/martensitic (RAFM) steels are promising candidates for structural materials in future fusion technology. In addition to other irradiation defects, the transmuted helium is believed to strongly influence material hardening and embrittlement behavior. A phenomenological model based on kinetic rate equations is developed to describe homogeneous nucleation and growth of helium bubbles in neutron irradiated RAFM steels. The model is adapted to different 10 B doped EUROFER97 based heats, which already had been studied in past irradiation experiments. Simulations yield bubble size distributions, whereby effects of helium generation rate, surface energy, helium sinks and helium density are investigated. Peak bubble diameters under different conditions are compared to preliminary microstructural results on irradiated specimens. Helium induced hardening was calculated by applying the Dispersed Barrier Hardening model to simulated cluster size distributions. Quantitative microstructural investigations of unirradiated and irradiated specimens will be used to support and verify the model.

  12. Modeling of helium bubble nucleation and growth in neutron irradiated boron doped RAFM steels

    Energy Technology Data Exchange (ETDEWEB)

    Dethloff, Christian, E-mail: christian.dethloff@kit.edu [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Gaganidze, Ermile [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Svetukhin, Vyacheslav V. [Ulyanovsk State University, Leo Tolstoy Str. 42, 432970 Ulyanovsk (Russian Federation); Aktaa, Jarir [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

    2012-07-15

    Reduced activation ferritic/martensitic (RAFM) steels are promising candidates for structural materials in future fusion technology. In addition to other irradiation defects, the transmuted helium is believed to strongly influence material hardening and embrittlement behavior. A phenomenological model based on kinetic rate equations is developed to describe homogeneous nucleation and growth of helium bubbles in neutron irradiated RAFM steels. The model is adapted to different {sup 10}B doped EUROFER97 based heats, which already had been studied in past irradiation experiments. Simulations yield bubble size distributions, whereby effects of helium generation rate, surface energy, helium sinks and helium density are investigated. Peak bubble diameters under different conditions are compared to preliminary microstructural results on irradiated specimens. Helium induced hardening was calculated by applying the Dispersed Barrier Hardening model to simulated cluster size distributions. Quantitative microstructural investigations of unirradiated and irradiated specimens will be used to support and verify the model.

  13. Nucleated red blood cells count in pregnancies with idiopathic intra-uterine growth restriction.

    Directory of Open Access Journals (Sweden)

    Fatemeh Davari-Tanha

    2014-06-01

    Full Text Available Elevated nucleated red blood cell (NRBC count is introduced as a potential marker of intra-uterine growth restriction (IUGR. To investigate the probable association regardless of any known underlying disease, we aimed to study disturbances in NRBC count in infants experiencing idiopathic IUGR.Twenty three infants regarded IUGR without any known cause were chosen to be compared to 48 normal neonates. Blood samples were collected instantly after birth and the same measurements were done in both groups.NRBC count/100 white blood cells was significantly higher in the IUGR group (P value < 0.001. pH measurements did not reveal any significant difference.Increased NRBC count in cases of idiopathic IUGR in absence of chronic hypoxia could strengthen its predictive value suggested in previous studies. It could help early IUGR detection and beneficial intervention.

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  15. Numerical simulation of two-dimensional late-stage coarsening for nucleation and growth

    International Nuclear Information System (INIS)

    Akaiwa, N.; Meiron, D.I.

    1995-01-01

    Numerical simulations of two-dimensional late-stage coarsening for nucleation and growth or Ostwald ripening are performed at area fractions 0.05 to 0.4 using the monopole and dipole approximations of a boundary integral formulation for the steady state diffusion equation. The simulations are performed using two different initial spatial distributions. One is a random spatial distribution, and the other is a random spatial distribution with depletion zones around the particles. We characterize the spatial correlations of particles by the radial distribution function, the pair correlation functions, and the structure function. Although the initial spatial correlations are different, we find time-independent scaled correlation functions in the late stage of coarsening. An important feature of the late-stage spatial correlations is that depletion zones exist around particles. A log-log plot of the structure function shows that the slope at small wave numbers is close to 4 and is -3 at very large wave numbers for all area fractions. At large wave numbers we observe oscillations in the structure function. We also confirm the cubic growth law of the average particle radius. The rate constant of the cubic growth law and the particle size distribution functions are also determined. We find qualitatively good agreement between experiments and the present simulations. In addition, the present results agree well with simulation results using the Cahn-Hilliard equation

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

    Science.gov (United States)

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

    2015-08-01

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

  17. Decoding Nucleation and Growth of Zeolitic Imidazolate Framework Thin Films with Atomic Force Microscopy and Vibrational Spectroscopy

    NARCIS (Netherlands)

    Ozturk, Zafer; Filez, Matthias; Weckhuysen, Bert M.

    2017-01-01

    The synthesis of metal-organic framework (MOF) thin films has garnered significant attention during the past decade. By better understanding the parameters governing the nucleation and growth of such thin films, their properties can be rationally tuned, empowering their application as (reactive)

  18. Nanometer-scale mapping of irreversible electrochemical nucleation processes on solid Li-ion electrolytes

    OpenAIRE

    Kumar, Amit; Arruda, Thomas M.; Tselev, Alexander; Ivanov, Ilia N.; Lawton, Jamie S.; Zawodzinski, Thomas A.; Butyaev, Oleg; Zayats, Sergey; Jesse, Stephen; Kalinin, Sergei V.

    2013-01-01

    Electrochemical processes associated with changes in structure, connectivity or composition typically proceed via new phase nucleation with subsequent growth of nuclei. Understanding and controlling reactions requires the elucidation and control of nucleation mechanisms. However, factors controlling nucleation kinetics, including the interplay between local mechanical conditions, microstructure and local ionic profile remain inaccessible. Furthermore, the tendency of current probing technique...

  19. Nucleation, Growth, and Alignment of Poly(3-hexylthiophene) Nanofibers for High-Performance OFETs.

    Science.gov (United States)

    Persson, Nils E; Chu, Ping-Hsun; McBride, Michael; Grover, Martha; Reichmanis, Elsa

    2017-04-18

    Conjugated semiconducting polymers have been the subject of intense study for over two decades with promising advances toward a printable electronics manufacturing ecosystem. These materials will deliver functional electronic devices that are lightweight, flexible, large-area, and cost-effective, with applications ranging from biomedical sensors to solar cells. Synthesis of novel molecules has led to significant improvements in charge carrier mobility, a defining electrical performance metric for many applications. However, the solution processing and thin film deposition of conjugated polymers must also be properly controlled to obtain reproducible device performance. This has led to an abundance of research on the process-structure-property relationships governing the microstructural evolution of the model semicrystalline poly(3-hexylthiophene) (P3HT) as applied to organic field effect transistor (OFET) fabrication. What followed was the production of an expansive body of work on the crystallization, self-assembly, and charge transport behavior of this semiflexible polymer whose strong π-π stacking interactions allow for highly creative methods of structural control, including the modulation of solvent and solution properties, flow-induced crystallization and alignment techniques, structural templating, and solid-state thermal and mechanical processing. This Account relates recent progress in the microstructural control of P3HT thin films through the nucleation, growth, and alignment of P3HT nanofibers. Solution-based nanofiber formation allows one to develop structural order prior to thin film deposition, mitigating the need for intricate deposition processes and enabling the use of batch and continuous chemical processing steps. Fiber growth is framed as a traditional crystallization problem, with the balance between nucleation and growth rates determining the fiber size and ultimately the distribution of grain boundaries in the solid state. Control of

  20. Nanoscale Phase Stability Reversal During the Nucleation and Growth of Titanium Oxide Minerals

    Science.gov (United States)

    Hummmer, D. R.; Heaney, P. J.; Kubicki, J. D.; Kent, P. R.; Post, J. E.

    2008-12-01

    Fine-grained titanium oxide minerals are important in soils, where they affect a variety of geochemical processes. They are also industrially important as catalysts, pigments, food additives, and dielectrics. Recent research has indicated an apparent reversal of thermodynamic stability between TiO2 phases at the nanoscale thought to be caused by an increased contribution of surface energy to the total free energy. Time-resolved X-ray diffraction (XRD) experiments in which titanium oxides crystallize from aqueous TiCl4 solutions confirm that anatase, a metastable phase, is always the first phase to nucleate under our range of initial conditions. Rutile peaks are observed only minutes after the first appearance of anatase, after which anatase abundance slowly decreases while rutile continues to form. Whole pattern refinement of diffraction data reveals that lattice constants of both phases increase throughout the crystallization process. In addition, transmission electron microscope (TEM) observations and kinetic modeling indicate that anatase does not undergo a solid-state transformation to the rutile structure as once thought. Instead, anatase appears to re-dissolve and then feed the growth of already nucleated rutile nanocrystals. Density functional theory (DFT) calculations were employed to model 1, 2, and 3 nm particles of both mineral phases. The total surface energies calculated from these models did yield lower values for anatase than for rutile by 8-13 kJ/mol depending on particle size, indicating that surface free energy is sufficient to account for stability reversal. However, these whole-particle surface energies were much higher than the sum of energies of each particle's constituent crystallographic surfaces. We attribute the excess energy to defects associated with the edges and corners of nanoparticles, which are not present on a 2-D periodic surface. This previously unreported edge and corner energy may play a dominant role in the stability reversal

  1. The Modification of Orographic Snow Growth Processes by Cloud Nucleating Aerosols

    Science.gov (United States)

    Cotton, W. R.; Saleeby, S.

    2011-12-01

    Cloud nucleating aerosols have been found to modify the amount and spatial distribution of snowfall in mountainous areas where riming growth of snow crystals is known to contribute substantially to the total snow water equivalent precipitation. In the Park Range of Colorado, a 2km deep supercooled liquid water orographic cloud frequently enshrouds the mountaintop during snowfall events. This leads to a seeder-feeder growth regime in which snow falls through the orographic cloud and collects cloud water prior to surface deposition. The addition of higher concentrations of cloud condensation nuclei (CCN) modifies the cloud droplet spectrum toward smaller size droplets and suppresses riming growth. Without rime growth, the density of snow crystals remains low and horizontal trajectories carry them further downwind due to slower vertical fall speeds. This leads to a downwind shift in snowfall accumulation at high CCN concentrations. Cloud resolving model simulations were performed (at 600m horizontal grid spacing) for six snowfall events over the Park Range. The chosen events were well simulated and occurred during intensive observations periods as part of two winter field campaigns in 2007 and 2010 based at Storm Peak Laboratory in Steamboat Springs, CO. For each event, sensitivity simulations were run with various initial CCN concentration vertical profiles that represent clean to polluted aerosol environments. Microphysical budget analyses were performed for these simulations in order to determine the relative importance of the various cloud properties and growth processes that contribute to precipitation production. Observations and modeling results indicate that initial vapor depositional growth of snow tends to be maximized within about 1km of mountaintop above the windward slope while the majority of riming growth occurs within 500m of mountaintop. This suggests that precipitation production is predominantly driven by locally enhanced orography. The large scale

  2. A numerical analysis of crack growth in brittle microcracking composites

    International Nuclear Information System (INIS)

    Biner, S.B.

    1993-01-01

    A set of numerical analyses of crack growth was performed to elucidate the mechanism of microcracking on the observed fracture behavior of brittle solids and composites. The random nucleation, orientation and size effects of discrete microcracks and resulting interactions are fully accounted for in a hybrid finite element model. The results indicate that the energy expenditure due the microcrack nucleation seems not to contribute significantly to the resistance to crack growth. The main controlling parameter appears to be elastic interaction of the microcracks with the main crack in the absence of a reinforcing phase; therefore, the microcrack density plays an important role. In the case of the composites, the interaction of the main crack with the stress fields of the reinforcing phase, rather than interaction of microcracks, is the controlling parameter for the resistance to the crack growth even in the presence of a large population of microcracks. It will be also shown that the crack branching and crack kinking can readily develop as a result of microcracking

  3. Sulfate-reducing bacteria influence the nucleation and growth of mackinawite and greigite

    Science.gov (United States)

    Picard, Aude; Gartman, Amy; Clarke, David R.; Girguis, Peter R.

    2018-01-01

    Sedimentary iron sulfide minerals play a key role in maintaining the oxygenation of Earth's atmosphere over geological timescales; they also record critical geochemical information that can be used to reconstruct paleo-environments. On modern Earth, sedimentary iron sulfide mineral formation takes places in low-temperature environments and requires the production of free sulfide by sulfate-reducing microorganisms (SRM) under anoxic conditions. Yet, most of our knowledge on the properties and formation pathways of iron sulfide minerals, including pyrite, derives from experimental studies performed in abiotic conditions, and as such the role of biotic processes in the formation of sedimentary iron sulfide minerals is poorly understood. Here we investigate the role of SRM in the nucleation and growth of iron sulfide minerals in laboratory experiments. We set out to test the hypothesis that SRM can influence Fe-S mineralization in ways other than providing sulfide through the comparison of the physical properties of iron sulfide minerals precipitated in the presence and in the absence of the sulfate-reducing bacterium Desulfovibrio hydrothermalis AM13 under well-controlled conditions. X-ray diffraction and microscopy analyses reveal that iron sulfide minerals produced in the presence of SRM exhibit unique morphology and aggregate differently than abiotic minerals formed in media without cells. Specifically, mackinawite growth is favored in the presence of both live and dead SRM, when compared to the abiotic treatments tested. The cell surface of live and dead SRM, and the extracellular polymers produced by live cells, provide templates for the nucleation of mackinawite and favor mineral growth. The morphology of minerals is however different when live and dead cells are provided. The transformation of greigite from mackinawite occurred after several months of incubation only in the presence of live SRM, suggesting that SRM might accelerate the kinetics of greigite

  4. In-situ follow up of gold nano-particles nucleation-growth

    International Nuclear Information System (INIS)

    Abecassis, Benjamin

    2006-01-01

    In this thesis, we assess the formation mechanism of gold nanoparticles in situ in liquid media (homogeneous or in microemulsion) by small angle scattering techniques. The first part details several important concepts which are useful for an appropriate understanding of the rest of the thesis along with an overview of the literature on the subject. We then present results of time resolved synchrotron small angle X ray scattering and UV-visible experiment performed in situ during the formation of gold nanoparticles in organic solvent. We show that it is possible to follow the nucleation and growth of the particles in real time with a time resolution of a few hundreds milliseconds. We show that depending on the chemical nature of the ligand the nucleation and growth can be either simultaneous or separated in time. In the latter case, the growth is limited by surface reaction of the monomer at the particles surface. We also show that when the produced nanoparticles have an average radius larger than 5 nm, they self-assemble into ordered super-lattice which exhibit a cubic face center crystallographic structure. In a third part, by using a combination of complementary techniques we study water/oil/octyl-ammonium-octanoate microemulsions in the reverse micelles part of the phase diagram. The structure of these 'catanionic' microemulsions are revealed as a function of the water content, the temperature and the surface charge. The different observed topologies (sphere, rod-like or connected worm-like) and the phase transitions are compared to a recent theory which takes into account the curvature energy of the surfactant film. Finally, we show that these microemulsions can be used efficiently to synthesise gold nanoparticles. We show that the template effect, often cited to explain the formation of nanoparticles in reverse micelles is in our case not relevant. It is also noteworthy possible to separate and purify the as-produced nanoparticles by slightly

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

    DEFF Research Database (Denmark)

    Toxværd, Søren

    2016-01-01

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

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

    Science.gov (United States)

    Thieme, Katrin; Avramov, Isak; Rüssel, Christian

    2016-01-01

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

  7. Introducing uncertainty analysis of nucleation and crystal growth models in Process Analytical Technology (PAT) system design of crystallization processes.

    Science.gov (United States)

    Samad, Noor Asma Fazli Abdul; Sin, Gürkan; Gernaey, Krist V; Gani, Rafiqul

    2013-11-01

    This paper presents the application of uncertainty and sensitivity analysis as part of a systematic model-based process monitoring and control (PAT) system design framework for crystallization processes. For the uncertainty analysis, the Monte Carlo procedure is used to propagate input uncertainty, while for sensitivity analysis, global methods including the standardized regression coefficients (SRC) and Morris screening are used to identify the most significant parameters. The potassium dihydrogen phosphate (KDP) crystallization process is used as a case study, both in open-loop and closed-loop operation. In the uncertainty analysis, the impact on the predicted output of uncertain parameters related to the nucleation and the crystal growth model has been investigated for both a one- and two-dimensional crystal size distribution (CSD). The open-loop results show that the input uncertainties lead to significant uncertainties on the CSD, with appearance of a secondary peak due to secondary nucleation for both cases. The sensitivity analysis indicated that the most important parameters affecting the CSDs are nucleation order and growth order constants. In the proposed PAT system design (closed-loop), the target CSD variability was successfully reduced compared to the open-loop case, also when considering uncertainty in nucleation and crystal growth model parameters. The latter forms a strong indication of the robustness of the proposed PAT system design in achieving the target CSD and encourages its transfer to full-scale implementation. Copyright © 2013 Elsevier B.V. All rights reserved.

  8. Insight into acid-base nucleation experiments by comparison of the chemical composition of positive, negative, and neutral clusters.

    Science.gov (United States)

    Bianchi, Federico; Praplan, Arnaud P; Sarnela, Nina; Dommen, Josef; Kürten, Andreas; Ortega, Ismael K; Schobesberger, Siegfried; Junninen, Heikki; Simon, Mario; Tröstl, Jasmin; Jokinen, Tuija; Sipilä, Mikko; Adamov, Alexey; Amorim, Antonio; Almeida, Joao; Breitenlechner, Martin; Duplissy, Jonathan; Ehrhart, Sebastian; Flagan, Richard C; Franchin, Alessandro; Hakala, Jani; Hansel, Armin; Heinritzi, Martin; Kangasluoma, Juha; Keskinen, Helmi; Kim, Jaeseok; Kirkby, Jasper; Laaksonen, Ari; Lawler, Michael J; Lehtipalo, Katrianne; Leiminger, Markus; Makhmutov, Vladimir; Mathot, Serge; Onnela, Antti; Petäjä, Tuukka; Riccobono, Francesco; Rissanen, Matti P; Rondo, Linda; Tomé, António; Virtanen, Annele; Viisanen, Yrjö; Williamson, Christina; Wimmer, Daniela; Winkler, Paul M; Ye, Penglin; Curtius, Joachim; Kulmala, Markku; Worsnop, Douglas R; Donahue, Neil M; Baltensperger, Urs

    2014-12-02

    We investigated the nucleation of sulfuric acid together with two bases (ammonia and dimethylamine), at the CLOUD chamber at CERN. The chemical composition of positive, negative, and neutral clusters was studied using three Atmospheric Pressure interface-Time Of Flight (APi-TOF) mass spectrometers: two were operated in positive and negative mode to detect the chamber ions, while the third was equipped with a nitrate ion chemical ionization source allowing detection of neutral clusters. Taking into account the possible fragmentation that can happen during the charging of the ions or within the first stage of the mass spectrometer, the cluster formation proceeded via essentially one-to-one acid-base addition for all of the clusters, independent of the type of the base. For the positive clusters, the charge is carried by one excess protonated base, while for the negative clusters it is carried by a deprotonated acid; the same is true for the neutral clusters after these have been ionized. During the experiments involving sulfuric acid and dimethylamine, it was possible to study the appearance time for all the clusters (positive, negative, and neutral). It appeared that, after the formation of the clusters containing three molecules of sulfuric acid, the clusters grow at a similar speed, independent of their charge. The growth rate is then probably limited by the arrival rate of sulfuric acid or cluster-cluster collision.

  9. First-step nucleation growth dependence of InAs/InGaAs/InP quantum dot formation in two-step growth

    International Nuclear Information System (INIS)

    Yin Zongyou; Tang Xiaohong; Deny, Sentosa; Chin, Mee Koy; Zhang Jixuan; Teng Jinghua; Du Anyan

    2008-01-01

    First-step nucleation growth has an important impact on the two-step growth of high-quality mid-infrared emissive InAs/InGaAs/InP quantum dots (QDs). It has been found that an optimized growth rate for first-step nucleation is critical for forming QDs with narrow size distribution, high dot density and high crystal quality. High growth temperature has an advantage in removing defects in the QDs formed, but the dot density will be reduced. Contrasting behavior in forming InAs QDs using metal-organic vapor phase epitaxy (MOVPE) by varying the input flux ratio of group-V versus group-III source (V/III ratio) in the first-step nucleation growth has been observed and investigated. High-density, 2.5 x 10 10 cm -2 , InAs QDs emitting at>2.15 μm have been formed with narrow size distribution, ∼1 nm standard deviation, by reducing the V/III ratio to zero in first-step nucleation growth

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

    Science.gov (United States)

    Wang, Ruizhe; Carlsson, Anders E

    2015-11-25

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

  11. Energies controlling nucleation and growth processes: The case of Ag/W(110)

    DEFF Research Database (Denmark)

    Jones, G. W.; Marcano, J. M.; Nørskov, Jens Kehlet

    1990-01-01

    The nucleation density Nx(T) of Ag islands on the 2-monolayer-thick silver intermediate layer on W(110) is measured by UHV scanning electron microscopy and compared with kinetic nucleation equations. This yields a well-determined value of Ed+2Eb=0.65±0.03 eV, with pair-binding energy Eb=0...

  12. Relative Role of Gas Generation and Displacement Rates in Cavity Nucleation and Growth

    DEFF Research Database (Denmark)

    Singh, Bachu Narain; Foreman, A. J E.

    1984-01-01

    Problems of helium diffusion and clustering during irradiation are analysed. Using the “homogeneous” nucleation theory , the effect of damage rate on cavity density is calculated for different gas generation to damage rate ratios. The influence of gas mobility on cavity nucleation has been...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-09-12

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

  14. Nucleation and growth of elastin-like peptide fibril multilayers: an in situ atomic force microscopy study

    International Nuclear Information System (INIS)

    Yang Guocheng; Yip, Christopher M; Wong, Michael K; Lin, Lauren E

    2011-01-01

    Controlling how molecules assemble into complex supramolecular architectures requires careful consideration of the subtle inter- and intra-molecular interactions that control their association. This is particularly crucial in the context of assembly at interfaces, where both surface chemistry and structure can play a role in directing structure formation. We report here the results of a study into the self-assembly of the elastin-like peptide EP I on structurally modified highly ordered pyrolytic graphite, including the role of spatial confinement on fibril nucleation and the growth of oriented fibril multilayers. In situ atomic force microscopy performed in fluid and at elevated temperature provided direct evidence of frustrated fibril nuclei and oriented growth of independent fibril domains. These results portend the application of this in situ strategy for studies of the nucleation and growth mechanisms of other fibril- and amyloid-forming proteins.

  15. Investigation of different mechanisms of GaN growth induced on AlN and GaN nucleation layers

    International Nuclear Information System (INIS)

    Tasco, V.; Campa, A.; Tarantini, I.; Passaseo, A.; Gonzalez-Posada, F.; Munoz, E.; Redondo-Cubero, A.; Lorenz, K.; Franco, N.

    2009-01-01

    The evolution of GaN growth on AlN and GaN nucleation layers is compared through morphological and structural analyses, including ion beam analysis. By using AlN nucleation layer grown at high temperature, improved crystalline quality is exhibited by 300 nm thin GaN epilayers. GaN (002) x-ray rocking curve as narrow as 168 arc sec and atomic-step surface morphology characterize such a thin GaN film on AlN. Defects are strongly confined into the first 50 nm of growth, whereas a fast laterally coherent growth is observed when increasing thickness, as an effect of high temperature AlN surface morphology and Ga adatom dynamics over this template

  16. Stochastic simulation of nucleation in binary alloys

    Science.gov (United States)

    L’vov, P. E.; Svetukhin, V. V.

    2018-06-01

    In this study, we simulate nucleation in binary alloys with respect to thermal fluctuations of the alloy composition. The simulation is based on the Cahn–Hilliard–Cook equation. We have considered the influence of some fluctuation parameters (wave vector cutoff and noise amplitude) on the kinetics of nucleation and growth of minority phase precipitates. The obtained results are validated by the example of iron–chromium alloys.

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

  18. Modeling Nucleation and Grain Growth in the Solar Nebula: Initial Progress Report

    Science.gov (United States)

    Nuth, Joseph A.; Paquette, J. A.; Ferguson, F. T.

    2010-01-01

    The primitive solar nebula was a violent and chaotic environment where high energy collisions, lightning, shocks and magnetic re-connection events rapidly vaporized some fraction of nebular dust, melted larger particles while leaving the largest grains virtually undisturbed. At the same time, some tiny grains containing very easily disturbed noble gas signatures (e.g., small, pre-solar graphite or SiC particles) never experienced this violence, yet can be found directly adjacent to much larger meteoritic components (chondrules or CAIs) that did. Additional components in the matrix of the most primitive carbonaceous chondrites and in some chondritic porous interplanetary dust particles include tiny nebular condensates, aggregates of condensates and partially annealed aggregates. Grains formed in violent transient events in the solar nebula did not come to equilibrium with their surroundings. To understand the formation and textures of these materials as well as their nebular abundances we must rely on Nucleation Theory and kinetic models of grain growth, coagulation and annealing. Such models have been very uncertain in the past: we will discuss the steps we are taking to increase their reliability.

  19. Fundamental aspects of nucleation and growth in the solution-phase synthesis of germanium nanocrystals

    KAUST Repository

    Codoluto, Stephen C.

    2010-01-01

    Colloidal Ge nanocrystals (NCs) were synthesized via the solution phase reduction of germanium(ii) iodide. We report a systematic investigation of the nanocrystal nucleation and growth as a function of synthesis conditions including the nature of coordinating solvents, surface bound ligands, synthesis duration and temperature. NC synthesis in reaction environments with weakly bound phosphine surface ligand led to the coalescence of nascent particles leading to ensembles with broad lognormal particle diameter distributions. Synthesis in the presence of amine or alkene ligands mitigated particle coalescence. High-resolution transmission electron micrographs revealed that NCs grown in the presence of weak ligands had a high crystal defect density whereas NCs grown in amine solutions were predominantly defect-free. We applied infrared spectroscopy to study the NC surface chemistry and showed that alkene ligands project the NCs from surface oxidation. Photoluminescence spectroscopy measurements showed that alkene ligands passivate surface traps, as indicated by infrared fluorescence, conversely oxidized phosphine and amine passivated NCs did not fluoresce. © 2010 The Royal Society of Chemistry.

  20. The melting of stable glasses is governed by nucleation-and-growth dynamics

    International Nuclear Information System (INIS)

    Jack, Robert L.; Berthier, Ludovic

    2016-01-01

    We discuss the microscopic mechanisms by which low-temperature amorphous states, such as ultrastable glasses, transform into equilibrium fluids, after a sudden temperature increase. Experiments suggest that this process is similar to the melting of crystals, thus differing from the behaviour found in ordinary glasses. We rationalize these observations using the physical idea that the transformation process takes place close to a “hidden” equilibrium first-order phase transition, which is observed in systems of coupled replicas. We illustrate our views using simulation results for a simple two-dimensional plaquette spin model, which is known to exhibit a range of glassy behaviour. Our results suggest that nucleation-and-growth dynamics, as found near ordinary first-order transitions, is also the correct theoretical framework to analyse the melting of ultrastable glasses. Our approach provides a unified understanding of multiple experimental observations, such as propagating melting fronts, large kinetic stability ratios, and “giant” dynamic length scales. We also provide a comprehensive discussion of available theoretical pictures proposed in the context of ultrastable glass melting.

  1. Automated synthesis of photovoltaic-quality colloidal quantum dots using separate nucleation and growth stages

    KAUST Repository

    Pan, Jun

    2013-11-26

    As colloidal quantum dot (CQD) optoelectronic devices continue to improve, interest grows in the scaled-up and automated synthesis of high-quality materials. Unfortunately, all reports of record-performance CQD photovoltaics have been based on small-scale batch syntheses. Here we report a strategy for flow reactor synthesis of PbS CQDs and prove that it leads to solar cells having performance similar to that of comparable batch-synthesized nanoparticles. Specifically, we find that, only when using a dual-temperature-stage flow reactor synthesis reported herein, are the CQDs of sufficient quality to achieve high performance. We use a kinetic model to explain and optimize the nucleation and growth processes in the reactor. Compared to conventional single-stage flow-synthesized CQDs, we achieve superior quality nanocrystals via the optimized dual-stage reactor, with high photoluminescence quantum yield (50%) and narrow full width-half-maximum. The dual-stage flow reactor approach, with its versatility and rapid screening of multiple parameters, combined with its efficient materials utilization, offers an attractive path to automated synthesis of CQDs for photovoltaics and, more broadly, active optoelectronics. © 2013 American Chemical Society.

  2. Nonequilibrium statistical theory of bubble nucleation and growth under neutron and proton irradiation

    International Nuclear Information System (INIS)

    Yu, J.; Sommer, W.F.; Bradbury, J.N.

    1986-01-01

    Microstructural evolution in metals under particle irradiation is described by a non-equilibrium statistics method. This method gives a set of equations for the evolution of bubbles and an approximate solution for a distribution function of bubble size as a function of fluence and temperature. The distribution function gives the number of bubbles of radius r at time t, N(r,t)dr, as a function of size, r/r 0 (r 0 is the radius of a bubble nucleus). It is found that N(r,t)dr increases with fluence. Also, the peak value of N(r,t)dt shifts to higher r/r 0 with increasing fluence. Nucleation depends mainly on helium concentration and defect cluster concentration while bubble growth is controlled mainly by the vacancy concentration and a fluctuation coefficient. If suitable material parameters are chosen, a reasonable distribution function for bubble size is obtained. The helium diffusion coefficient is found to be less than that for vacancies by five orders of magnitude. The fraction of helium remaining in matrix is less than 10 -2 ; the majority of the helium is associated with the bubbles

  3. On the nucleation and initial film growth of rod-like organic molecules

    Science.gov (United States)

    Winkler, Adolf

    2016-10-01

    In this article, some fundamental topics related to the initial steps of organic film growth are reviewed. General conclusions will be drawn based on experimental results obtained for the film formation of oligophenylene and pentacene molecules on gold and mica substrates. Thin films were prepared via physical vapor deposition under ultrahigh-vacuum conditions and characterized in-situ mainly by thermal desorption spectroscopy, and ex-situ by X-ray diffraction and atomic force microscopy. In this short review article the following topics will be discussed: What are the necessary conditions to form island-like films which are either composed of flat-lying or of standing molecules? Does a wetting layer exist below and in between the islands? What is the reason behind the occasionally observed bimodal island size distribution? Can one describe the nucleation process with the diffusion-limited aggregation model? Do the impinging molecules directly adsorb on the surface or rather via a hot-precursor state? Finally, it will be described how the critical island size can be determined by an independent measurement of the deposition rate dependence of the island density and the capture-zone distribution via a universal relationship.

  4. Microstructural Control via Copious Nucleation Manipulated by In Situ Formed Nucleants: Large-Sized and Ductile Metallic Glass Composites.

    Science.gov (United States)

    Song, Wenli; Wu, Yuan; Wang, Hui; Liu, Xiongjun; Chen, Houwen; Guo, Zhenxi; Lu, Zhaoping

    2016-10-01

    A novel strategy to control the precipitation behavior of the austenitic phase, and to obtain large-sized, transformation-induced, plasticity-reinforced bulk metallic glass matrix composites, with good tensile properties, is proposed. By inducing heterogeneous nucleation of the transformable reinforcement via potent nucleants formed in situ, the characteristics of the austenitic phase are well manipulated. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Chemical composition, mixing state, size and morphology of Ice nucleating particles at the Jungfraujoch research station, Switzerland

    Science.gov (United States)

    Ebert, Martin; Worringen, Annette; Kandler, Konrad; Weinbruch, Stephan; Schenk, Ludwig; Mertes, Stephan; Schmidt, Susan; Schneider, Johannes; Frank, Fabian; Nilius, Björn; Danielczok, Anja; Bingemer, Heinz

    2014-05-01

    An intense field campaign from the Ice Nuclei Research Unit (INUIT) was performed in January and February of 2013 at the High-Alpine Research Station Jungfraujoch (3580 m a.s.l., Switzerland). Main goal was the assessment of microphysical and chemical properties of free-tropospheric ice-nucelating particles. The ice-nucleating particles were discriminated from the total aerosol with the 'Fast Ice Nucleation CHamber' (FINCH; University Frankfurt) and the 'Ice-Selective Inlet' (ISI, Paul Scherer Institute) followed by a pumped counter-stream virtual impactor. The separated ice-nucleating particles were then collected with a nozzle-type impactor. With the 'FRankfurt Ice nuclei Deposition freezinG Experiment' (FRIDGE), aerosol particles are sampled on a silicon wafer, which is than exposed to ice-activating conditions in a static diffusion chamber. The locations of the growing ice crystals are recorded for later analysis. Finally, with the ICE Counter-stream Virtual Impactor (ICE-CVI) atmospheric ice crystals are separated from the total aerosol and their water content is evaporated to retain the ice residual particles, which are then collected also by impactor sampling. All samples were analyzed in a high-resolution scanning electron microscope. By this method, for each particle its size, morphology, mixing-state and chemical composition is obtained. In total approximately 1700 ice nucleating particles were analyzed. Based on their chemical composition, the particles were classified into seven groups: silicates, metal oxides, Ca-rich particles, (aged) sea-salt, soot, sulphates and carbonaceous matter. Sea-salt is considered as artifact and is not regarded as ice nuclei here. The most frequent ice nucleating particles/ice residuals at the Jungfraujoch station are silicates > carbonaceous particles > metal oxides. Calcium-rich particles and soot play a minor role. Similar results are obtained by quasi-parallel measurements with an online single particle laser ablation

  6. Nucleation kinetics and growth aspects of semi organic non-linear optical bis thiourea cadmium acetate single crystals

    International Nuclear Information System (INIS)

    Sankar, R.; Raghavan, C.M.; Jayavel, R.

    2006-01-01

    Nucleation parameters such as metastable zone width, induction period and interfacial energy have been determined for the aqueous solution growth of bis thiourea cadmium acetate (BTCA) single crystals. Solubility of BTCA has been determined for various temperatures. Metastable zone width and induction period values have been estimated in order to optimize the growth parameters. The interfacial tension values derived from experimentally determined induction period are found to be comparable with theoretical values. Bulk crystals of BTCA have been grown using the optimized growth parameters. The grown crystals have been subjected to structural, optical and mechanical property studies. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Hygroscopic growth of atmospheric aerosol particles and its relation to nucleation scavenging in clouds

    Energy Technology Data Exchange (ETDEWEB)

    Svenningsson, B.

    1997-11-01

    Aerosol particles in the atmosphere are important in several aspects. Some major aerosol constituents that are deposited in ecosystems are acidic or fertilizers and some minor or trace constituents are toxic. Aerosol particles are also involved in the earth`s radiation balance, both directly by scattering the sunlight and indirectly by influencing the clouds. All these effects are influenced by the interaction between the aerosol particles and water vapour. A tandem differential mobility analyser (TDMA) has been designed to measure hygroscopic growth, i.e. the particle diameter change due to uptake of water at well defined relative humidities below 100%. Tests of the instrument performance have been made using aerosol particles of pure inorganic salts. Three field experiments have been performed as parts of large fog and cloud experiments. Bimodal hygroscopic growth spectra were found: less-hygroscopic particles containing a few percent and more-hygroscopic particles around 50% by volume of hygroscopically active material. In general the fraction of less-hygroscopic particles decreases with particle size and it is larger in polluted continental aerosols than in remote background aerosols. This external mixing cannot be fully understood using present views on the formation of aerosols. Evidence or the importance of the external mixing on the cloud nucleating properties of the particles are found in comparisons between hygroscopic growth spectra for the total aerosol, the interstitial aerosol in clouds, and cloud drop residuals. Cloud condensation nuclei spectra, calculated using aerosol particle size distributions and hygroscopic growth spectra, in combination with information on the major inorganic ions are presented. These CCN spectra reveal for instance that the influence of less-hygroscopic particles on the cloud droplets increases with increasing peak supersaturation. The fraction of the particles that were scavenged to cloud drops, as a function of particle

  8. Electrodeposition of ZnO from DMSO solution: influence of anion nature and its concentration in the nucleation and growth mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Riveros, Gonzalo; Ramirez, Daniel, E-mail: gonzalo.riveros@uv.cl [Departamento de Quimica y Bioquimica, Facultad de Ciencias, Universidad de Valparaiso, Valparaiso (Chile); Tello, Alejandra; Schrebler, Ricardo; Henriquez, Rodrigo; Gomez, Humberto [Instituto de Quimica, Pontificia Universidad Catolica de Valparaiso, Curauma, Valparaiso (Chile)

    2012-03-15

    The influence of the anion nature and its concentration in the electrodeposition of ZnO onto a gold electrode from dimethylsulfoxide (DMSO) solutions was studied. Voltammetric experiments revealed important changes in the zinc oxide electrodeposition process depending on the employed anion as electrolyte. From chronoamperometric experiments, the corresponding current-time curves were fitted with different nucleation and growth mechanism models. The analysis of these results showed changes from an instantaneous to a progressive growth when the solution composition was changed from ZnCl{sub 2} to ZnCl{sub 2} + LiCl. The change of the mechanism is associated to the adsorption of chloride ion on the active sites of the electrode surface when LiCl is present in the solution. (author)

  9. Electrodeposition of CdTe thin films onto n-Si(1 0 0): nucleation and growth mechanisms

    International Nuclear Information System (INIS)

    Gomez, H.; Henriquez, R.; Schrebler, R.; Cordova, R.; Ramirez, D.; Riveros, G.; Dalchiele, E.A.

    2005-01-01

    The mechanisms related to the initial stages of the nucleation and growth of cadmium telluride (CdTe) thin films on the rough face side of a (1 0 0) monocrystalline n-type silicon have been studied as a function of different potential steps that varied from an initial value of -0.200 V to values comprised between -0.515 and -0.600 V versus saturated calomel electrode (SCE). The analysis of the corresponding potentiostatic j/t transients suggests that the main phenomena involved at short times is the formation of a Te-Cd bi-layer (BL). For potentials below -0.540 V, the formation of this bi-layer can be considered independent of potential. At greater times, the mechanisms is controlled by two process: (i) progressive nucleation three dimensional charge transfer controlled growth (PN-3D) ct and (ii) progressive nucleation three dimensional diffusion controlled growth (PN-3D) diff , both giving account for the formation of conical and hemispherical nuclei, respectively. Ex situ AFM images of the surface seem to support these assumptions

  10. Aqueous Nucleation and Growth of Titanium Oxides Using Time-Resolved Synchrotron X- ray Diffraction

    Science.gov (United States)

    Hummer, D. R.; Heaney, P. J.; Post, J. E.

    2006-05-01

    The inorganic precipitation of oxide minerals in soil environments has profound effects on a variety of geochemical processes. These include the removal of metals from the aqueous phase, the production of coatings that reduce the reactive surface area of pre-existing mineral grains, and the generation of feedstocks for microbial metabolic reactions. Recent observations of transient, metastable phases during the growth of oxide crystallites has raised questions about their role in crystallization mechanisms, and created a need for more detailed structural measurements. To better understand the process of nucleation and growth, we investigated the crystallization of Ti oxides from aqueous 0.5 M TiCl4 solutions using synchrotron X-ray diffraction at temperatures of 100 and 150 °C. Solutions were heated in a 1.0 mm internal diameter quartz glass capillary sealed with epoxy. Powder diffraction patterns of the growing crystallites were collected using image plate technology with a time step of ~ 4 minutes, providing high resolution in situ measurements of structural changes during the crystallization process. The data indicate a co-precipitation of the two crystalline phases anatase and rutile within the first 30 minutes of heating, followed by a gradual phase transition from anatase to rutile during particle coarsening throughout the 10 hour duration of an experiment. The co-existence of anatase and rutile at the onset of crystallization lends additional support to the assertion of nearly identical free energies for anatase and rutile at the nanoscale, believed to be due to the prominence of surface energy effects (Ranade et al., 2001). Whole pattern analyses using the Rietveld refinement method also documented previously unobserved changes in lattice parameters of both phases during growth, on the order of 0.2-0.3 % expansion for each axis. The trends in lattice parameters are observed to be temperature dependent, generally having lower values at higher

  11. Concurrent nucleation, formation and growth of two intermetallic compounds (Cu6Sn5 and Cu3Sn) during the early stages of lead-free soldering

    International Nuclear Information System (INIS)

    Park, M.S.; Arróyave, R.

    2012-01-01

    This study investigates the concurrent nucleation, formation and growth of two intermetallic compounds (IMCs), Cu 6 Sn 5 (η) and Cu 3 Sn (ε), during the early stages of soldering in the Cu–Sn system. The nucleation, formation and growth of the IMC layers is simulated through a multiphase-field model in which the concurrent nucleation of both IMC phases is considered to be a stochastic Poisson process with nucleation rates calculated from classical nucleation theory. CALPHAD thermodynamic models are used to calculate the local contributions to the free energy of the system and the driving forces for precipitation of the IMC phases. The nucleation parameters of the η phase are estimated from experimental results and those of the ε phase are assumed to be similar. A parametric investigation of the effects of model parameters (e.g. grain boundary (GB) diffusion rates, interfacial and GB energies) on morphological evolution and IMC layer growth rate is presented and compared with previous works in which nucleation was ignored . In addition, the resulting growth rates are compared with the available literature and it is found that, for a certain range in the model parameters, the agreement is quite satisfactory. This work provides valuable insight into the dominant mechanisms for mass transport as well as morphological evolution and growth of IMC layers during early stages of Pb-free soldering.

  12. Nucleation and growth of sub-3 nm particles in the polluted urban atmosphere of a megacity in China

    Directory of Open Access Journals (Sweden)

    H. Yu

    2016-03-01

    Full Text Available Particle size distribution down to 1.4 nm was measured in the urban atmosphere of Nanjing, China, in spring, summer, and winter during 2014–2015. Sub-3 nm particle event, which is equivalent to nucleation event, occurred on 42 out of total 90 observation days, but new particles could grow to cloud condensation nuclei (CCN-active sizes on only 9 days. In summer, infrequent nucleation was limited by both unfavorable meteorological conditions (high temperature and relative humidity – RH and reduced anthropogenic precursor availability due to strict emission control measures during the 2014 Youth Olympic Games in Nanjing. The limiting factors for nucleation in winter and spring were meteorological conditions (radiation, temperature, and RH and condensation sink, but for the further growth of sub-3 nm particles to CCN-active sizes, anthropogenic precursors again became limiting factors. Nucleation events were strong in the polluted urban atmosphere. Initial J1.4 at the onset and peak J1.4 at the noontime could be up to 2.1 × 102 and 2.5 × 103 cm−3 s−1, respectively, during the eight nucleation events selected from different seasons. Time-dependent J1.4 usually showed good linear correlations with a sulfuric acid proxy for every single event (R2 = 0.56–0.86, excluding a day with significant nocturnal nucleation, but the correlation among all eight events deteriorated (R2 =  0.17 due to temperature or season change. We observed that new particle growth rate (GR did not increase monotonically with particle size, but had a local maximum up to 25 nm h−1 between 1 and 3 nm. The existence of local maxima GR in sub-3 nm size range, though sensitive to measurement uncertainties, gives new insight into cluster dynamics in polluted environments. In this study such growth rate behavior was interpreted as the solvation effect of organic activating vapor in newly formed inorganic nuclei.

  13. On the role of Pb0 atoms on the nucleation and growth of PbSe and PbTe nanoparticles

    International Nuclear Information System (INIS)

    Garcia-Gutierrez, Domingo I.; Leon-Covian, Lina M. De; Garcia-Gutierrez, Diana F.; Treviño-Gonzalez, M.; Garza-Navarro, M. A.; Sepulveda-Guzman, S.

    2013-01-01

    In this contribution, a nucleation and growth mechanism of PbSe and PbTe nanoparticles are proposed. The formation and growth of PbSe and PbTe nanoparticles during their reaction synthesis were studied and followed using transmission electron microscopy, and their related techniques. In the synthesis method, trioctylphosphine-selenide and telluride were used as the chalcogen precursors, while lead oleate was employed as the lead precursor. Different synthesis conditions were tested to assess the effect of varying the reaction time, lead to chalcogen ratio, reaction temperature, and lead oleate concentration. The synthesized nanoparticles were characterized by means of electron diffraction, energy dispersive X-ray spectroscopy, scanning transmission electron microscopy, and electron energy loss spectroscopy, to obtain information related to their morphology, crystal structure, and composition. The experimental results suggest that the growth of the lead chalcogenide nanoparticles greatly relies on the reduction of Pb 2+ ions to Pb 0 atoms at early reaction times; this reduction of the lead precursor is evidenced by the formation of Pb nanoparticles with sizes between 1 and 3 nm under certain synthesis conditions. These Pb nanoparticles gradually disappear as the reaction progresses, suggesting that the reduced Pb 0 atoms are able to contribute to the growth of the PbSe and PbTe nanoparticles, reaching sizes between 8 and 18 nm. The current results contribute to a better understanding of the nucleation and growth mechanisms of lead chalcogenide nanoparticles, which will enable the definition of more efficient synthesis routes of these types of nanostructures.

  14. On the role of Pb{sup 0} atoms on the nucleation and growth of PbSe and PbTe nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Gutierrez, Domingo I., E-mail: domingo.garciagt@uanl.edu.mx; Leon-Covian, Lina M. De; Garcia-Gutierrez, Diana F. [Universidad Autonoma de Nuevo Leon, UANL, Facultad de Ingenieria Mecanica y Electrica, FIME (Mexico); Trevino-Gonzalez, M. [Centro de Innovacion, Investigacion y Desarrollo en Ingenieria y Tecnologia, CIIDIT, Universidad Autonoma de Nuevo Leon, UANL (Mexico); Garza-Navarro, M. A.; Sepulveda-Guzman, S. [Universidad Autonoma de Nuevo Leon, UANL, Facultad de Ingenieria Mecanica y Electrica, FIME (Mexico)

    2013-05-15

    In this contribution, a nucleation and growth mechanism of PbSe and PbTe nanoparticles are proposed. The formation and growth of PbSe and PbTe nanoparticles during their reaction synthesis were studied and followed using transmission electron microscopy, and their related techniques. In the synthesis method, trioctylphosphine-selenide and telluride were used as the chalcogen precursors, while lead oleate was employed as the lead precursor. Different synthesis conditions were tested to assess the effect of varying the reaction time, lead to chalcogen ratio, reaction temperature, and lead oleate concentration. The synthesized nanoparticles were characterized by means of electron diffraction, energy dispersive X-ray spectroscopy, scanning transmission electron microscopy, and electron energy loss spectroscopy, to obtain information related to their morphology, crystal structure, and composition. The experimental results suggest that the growth of the lead chalcogenide nanoparticles greatly relies on the reduction of Pb{sup 2+} ions to Pb{sup 0} atoms at early reaction times; this reduction of the lead precursor is evidenced by the formation of Pb nanoparticles with sizes between 1 and 3 nm under certain synthesis conditions. These Pb nanoparticles gradually disappear as the reaction progresses, suggesting that the reduced Pb{sup 0} atoms are able to contribute to the growth of the PbSe and PbTe nanoparticles, reaching sizes between 8 and 18 nm. The current results contribute to a better understanding of the nucleation and growth mechanisms of lead chalcogenide nanoparticles, which will enable the definition of more efficient synthesis routes of these types of nanostructures.

  15. Non-encapsulation approach for high-performance Li–S batteries through controlled nucleation and growth

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Huilin; Chen, Junzheng; Cao, Ruiguo; Murugesan, Vijay; Rajput, Nav Nidhi; Han, Kee Sung; Persson, Kristin; Estevez, Luis; Engelhard, Mark H.; Zhang, Ji-Guang; Mueller, Karl T.; Cui, Yi; Shao, Yuyan; Liu, Jun

    2017-09-25

    Sulfur encapsulation in high surface area, nanoporous carbon is currently the most widely studied approach to improve the cycling stability of Li-S batteries. However, the relatively large amount of high surface area carbon decreases the overall volumetric energy density in the system and makes it difficult to compete with other battery chemistries. In this paper, we report a new approach that does not depend on sulfur encapsulation and high surface area carbon. We investigate the nucleation and deposition of sulfur using low surface area carbon in the cathode (surface area 17 m2 g-1). Optimization of the solvent properties and the deposition condition produce large spherical porous agglomerated particles rather than thin films. A solution mediated nucleation and growth mechanism is identified to form the large porous polysulfide particles. This new mechanism leads to close to 100% sulfur utilization, almost no capacity fading, over 99% coulombic efficacy, and high energy density (2350 Wh kg-1 and 2600 Wh L-1 based on overall mass/volume of cathode). This study may open a fundamentally new approach of using a low surface area carbon host for designing high energy Li-S battery by controlling the nucleation/growth pathway and morphology of sulfur species.

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

    Directory of Open Access Journals (Sweden)

    Wenxin Huang

    2017-10-01

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

  17. Composition dependence of the synergistic effect of nucleating agent and plasticizer in poly(lactic acid: A Mixture Design study

    Directory of Open Access Journals (Sweden)

    M. K. Fehri

    2016-04-01

    Full Text Available Blends consisting of commercial poly(lactic acid (PLA, poly(lactic acid oligomer (OLA8 as plasticizer and a sulfonic salt of a phthalic ester and poly(D-lactic acid as nucleating agents were prepared by melt extrusion, following a Mixture Design approach, in order to systematically study mechanical and thermal properties as a function of composition. The full investigation was carried out by differential scanning calorimetry (DSC, dynamic mechanical thermal analysis (DMTA and tensile tests. The crystallization half-time was also studied at 105 °C as a function of the blends composition. A range of compositions in which the plasticizer and the nucleation agent minimized the crystallization half-time in a synergistic way was clearly identified thanks to the application of the Mixture Design approach. The results allowed also the identification of a composition range to maximize the crystallinity developed during the rapid cooling below glass transition temperature in injection moulding, thus allowing an easier processing of PLA based materials. Moreover the mechanical properties were discussed by correlating them to the chemical structural features and thermal behaviour of blends.

  18. Nucleation reactions during deformation and crystallization of metallic glass

    International Nuclear Information System (INIS)

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

    2012-01-01

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

  19. Snow-borne nanosized particles: Abundance, distribution, composition, and significance in ice nucleation processes

    Science.gov (United States)

    Rangel-Alvarado, Rodrigo Benjamin; Nazarenko, Yevgen; Ariya, Parisa A.

    2015-11-01

    Physicochemical processes of nucleation constitute a major uncertainty in understanding aerosol-cloud interactions. To improve the knowledge of the ice nucleation process, we characterized physical, chemical, and biological properties of fresh snow using a suite of state-of-the-art techniques based on mass spectrometry, electron microscopy, chromatography, and optical particle sizing. Samples were collected at two North American Arctic sites, as part of international campaigns (2006 and 2009), and in the city of Montreal, Canada, over the last decade. Particle size distribution analyses, in the range of 3 nm to 10 µm, showed that nanosized particles are the most numerous (38-71%) in fresh snow, with a significant portion (11 to 19%) less than 100 nm in size. Particles with diameters less than 200 nm consistently exhibited relatively high ice-nucleating properties (on average ranged from -19.6 ± 2.4 to -8.1 ± 2.6°C). Chemical analysis of the nanosized fraction suggests that they contain bioorganic materials, such as amino acids, as well as inorganic compounds with similar characteristics to mineral dust. The implication of nanoparticle ubiquity and abundance in diverse snow ecosystems are discussed in the context of their importance in understanding atmospheric nucleation processes.

  20. Cavity nucleation and growth during helium implantation and neutron irradiation of Fe and steel

    DEFF Research Database (Denmark)

    Eldrup, Morten Mostgaard; Singh, Bachu Narain

    In order to investigate the role of He in cavity nucleation in neutron irradiated iron and steel, pure iron and Eurofer-97 steel have been He implanted and neutron irradiated in a systematic way at different temperatures, to different He and neutron doses and with different He implantation rates....

  1. Principles of nucleation theory

    International Nuclear Information System (INIS)

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

    1980-01-01

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

  2. Different arsenate and phosphate incorporation effects on the nucleation and growth of iron(III) (Hydr)oxides on quartz.

    Science.gov (United States)

    Neil, Chelsea W; Lee, Byeongdu; Jun, Young-Shin

    2014-10-21

    Iron(III) (hydr)oxides play an important role in the geochemical cycling of contaminants in natural and engineered aquatic systems. The ability of iron(III) (hydr)oxides to immobilize contaminants can be related to whether the precipitates form heterogeneously (e.g., at mineral surfaces) or homogeneously in solution. Utilizing grazing incidence small-angle X-ray scattering (GISAXS), we studied heterogeneous iron(III) (hydr)oxide nucleation and growth on quartz substrates for systems containing arsenate and phosphate anions. For the iron(III) only system, the radius of gyration (Rg) of heterogeneously formed precipitates grew from 1.5 to 2.5 (± 1.0) nm within 1 h. For the system containing 10(-5) M arsenate, Rg grew from 3.6 to 6.1 (± 0.5) nm, and for the system containing 10(-5) M phosphate, Rg grew from 2.0 to 4.0 (± 0.2) nm. While the systems containing these oxyanions had more growth, the system containing only iron(III) had the most nucleation events on substrates. Ex situ analyses of homogeneously and heterogeneously formed precipitates indicated that precipitates in the arsenate system had the highest water content and that oxyanions may bridge iron(III) hydroxide polymeric embryos to form a structure similar to ferric arsenate or ferric phosphate. These new findings are important because differences in nucleation and growth rates and particle sizes will impact the number of available reactive sites and the reactivity of newly formed particles toward aqueous contaminants.

  3. Two-component spin-coated Ag/CNT composite films based on a silver heterogeneous nucleation mechanism adhesion-enhanced by mechanical interlocking and chemical grafting

    Science.gov (United States)

    Zhang, Yang; Kang, Zhixin; Bessho, Takeshi

    2017-03-01

    In this paper, a new method for the synthesis of silver carbon nanotube (Ag/CNT) composite films as conductive connection units for flexible electronic devices is presented. This method is about a two-component solution process by spin coating with an after-treatment annealing process. In this method, multi-walled carbon nanotubes (MWCNTs) act as the core of silver heterogeneous nucleation, which can be observed and analyzed by a field-emission scanning electron microscope. With the effects of mechanical interlocking, chemical grafting, and annealing, the interfacial adhesive strength between films and PET sheets was enhanced to 12 N cm-1. The tensile strength of the Ag/CNT composite films was observed to increase by 38% by adding 5 g l-1 MWCNTs. In the four-probe method, the resistivity of Ag/CNT-5 declined by 78.2% compared with pristine Ag films. The anti-fatigue performance of the Ag/CNT composite films was monitored by cyclic bending deformation and the results revealed that the growth rate of electrical resistance during the deformation was obviously retarded. As for industrial application, this method provides an efficient low-cost way to prepare Ag/CNT composite films and can be further applied to other coating systems.

  4. Submonolayer nucleation and growth and the initial stage of multilayer kinetic roughening during Ag/Ag (100) homoepitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, C.

    1996-08-01

    A comprehensive Scanning Tunneling Microscopy (STM) study of submonolayer nucleation and growth of 2D islands in Ag/Ag(100) homoepitaxy for temperature between 295K and 370K is presented. The initial stages of multilayer kinetic roughening is also studied. Analysis of an appropriate model for metal (100) homoepitaxy, produces estimates of 350 meV for the terrace diffusion barrier, 400 meV for the adatom bond energy, and 25 meV for the additional Ehrlich-Schwoebel step-edge barrier.

  5. Simulation of nucleation and growth of atomic layer deposition phosphorus for doping of advanced FinFETs

    International Nuclear Information System (INIS)

    Seidel, Thomas E.; Goldberg, Alexander; Halls, Mat D.; Current, Michael I.

    2016-01-01

    Simulations for the nucleation and growth of phosphorus films were carried out using density functional theory. The surface was represented by a Si 9 H 12 truncated cluster surface model with 2 × 1-reconstructured (100) Si-OH terminations for the initial reaction sites. Chemistries included phosphorous halides (PF 3 , PCl 3 , and PBr 3 ) and disilane (Si 2 H 6 ). Atomic layer deposition (ALD) reaction sequences were illustrated with three-dimensional molecular models using sequential PF 3 and Si 2 H 6 reactions and featuring SiFH 3 as a byproduct. Exothermic reaction pathways were developed for both nucleation and growth for a Si-OH surface. Energetically favorable reactions for the deposition of four phosphorus atoms including lateral P–P bonding were simulated. This paper suggests energetically favorable thermodynamic reactions for the growth of elemental phosphorus on (100) silicon. Phosphorus layers made by ALD are an option for doping advanced fin field-effect transistors (FinFETs). Phosphorus may be thermally diffused into the silicon or recoil knocked in; simulations of the recoil profile of phosphorus into a FinFET surface are illustrated

  6. Size and composition-controlled fabrication of VO2 nanocrystals by terminated cluster growth

    Energy Technology Data Exchange (ETDEWEB)

    Anders, Andre; Slack, Jonathan

    2013-05-14

    A physical vapor deposition-based route for the fabrication of VO2 nanoparticles is demonstrated, consisting of reactive sputtering and vapor condensation at elevated pressures. The oxidation of vanadium atoms is an efficient heterogeneous nucleation method, leading to high nanoparticle throughtput. Fine control of the nanoparticle size and composition is obtained. Post growth annealing leads to crystalline VO2 nanoparticles with optimum thermocromic and plasmonic properties.

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  8. Millisecond-Timescale Monitoring of PbS Nanoparticle Nucleation and Growth Using Droplet-Based Microfluidics.

    Science.gov (United States)

    Lignos, Ioannis; Stavrakis, Stavros; Kilaj, Ardita; deMello, Andrew J

    2015-08-26

    The early-time kinetics (conversion of precursor species to PbS crystals, followed by the growth of the formed particles. The growth kinetics of the PbS nanoparticles follow the Lifshitz-Slyozov-Wagner model for Ostwald ripening, allowing direct estimation of the rate constants for the process. In addition, the extraction of absorption spectra of ultrasmall quantum dots is demonstrated for first time in an online manner. The droplet-based microfluidic platform integrated with online spectroscopic analysis provides a new tool for the quantitative extraction of high temperature kinetics for systems with rapid nucleation and growth stages. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Nucleation and growth of oxides on metals with special reference to mild steel and zirconium

    Energy Technology Data Exchange (ETDEWEB)

    Gadiyar, H S [Bhabha Atomic Research Centre, Bombay (India). Metallurgy Div.

    1977-01-01

    The oxidation of metals is a complex phenomenon of metal-gas interface for the understanding of which a multidisciplinary approach is necessary. Some aspects of this phenomena are discussed with reference to oxygen or steam as the oxidant. As a case study, the nucleation of oxide through microstructural characterisation, the kinetics and mechanism involved in the case of oxidation of Zr and its alloys have been examined.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-06-01

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

  11. Human milk composition and infant growth

    DEFF Research Database (Denmark)

    Eriksen, Kamilla Gehrt; Christensen, Sophie Hilario; Lind, Mads Vendelbo

    2018-01-01

    PURPOSE OF REVIEW: This review highlights relevant studies published between 2015 and 2017 on human milk composition and the association with infant growth. RECENT FINDINGS: High-quality studies investigating how human milk composition is related to infant growth are sparse. Recent observational...... studies show that human milk concentrations of protein, fat, and carbohydrate likely have important influence on infant growth and body composition. Furthermore, some observational studies examining human milk oligosaccharides and hormone concentrations suggest functional relevance to infant growth....... For human milk micronutrient concentrations and microbiota content, and other bioactive components in human milk, the association with infant growth is still speculative and needs further investigation. The included studies in this review are all limited in their methodological design and methods but have...

  12. Nucleation and growth characteristics of graphite spheroids in bainite during graphitization annealing of a medium carbon steel

    International Nuclear Information System (INIS)

    Gao, J.X.; Wei, B.Q.; Li, D.D.; He, K.

    2016-01-01

    The evolution of microstructure in bainite during graphitization annealing at 680 °C of Jominy-quenched bars of an Al-Si bearing medium carbon (0.4C wt%) steel has been studied and compared with that in martensite by using light, scanning and transmission electron microscopy. The results show that the graphitization process in bainite is different from that in martensite in many aspects such as the initial carbon state, the behavior of cementite, the nucleation-growth feature and kinetics of formation of graphite spheroids during graphitization annealing, and the shape, size and distribution of these graphite spheroids. The fact that the graphitization in bainite can produce more homogeneous graphite spheroids with more spherical shape and finer size in a shorter annealing time without the help of preexisting coring particles implies that bainite should be a better starting structure than martensite for making graphitic steel. - Highlights: • This article presents a microstructural characterization of formation of graphite spheroids in bainite. • Nucleation and growth characteristics of graphite spheroids formed in bainite and martensite are compared. • Bainite should be a better starting structure for making graphitic steel as results show.

  13. Optimization of experimental conditions for the monitoring of nucleation and growth of racemic Diprophylline from the supercooled melt

    Science.gov (United States)

    Lemercier, Aurélien; Viel, Quentin; Brandel, Clément; Cartigny, Yohann; Dargent, Eric; Petit, Samuel; Coquerel, Gérard

    2017-08-01

    Since more and more pharmaceutical substances are developed as amorphous forms, it is nowadays of major relevance to get insights into the nucleation and growth mechanisms from supercooled melts (SCM). A step-by-step approach of recrystallization from a SCM is presented here, designed to elucidate the impact of various experimental parameters. Using the bronchodilator agent Diprophylline (DPL) as a model compound, it is shown that optimal conditions for informative observations of the crystallization behaviour from supercooled racemic DPL require to place samples between two cover slides with a maximum sample thickness of 20 μm, and to monitor recrystallization during an annealing step of 30 min at 70 °C, i.e. about 33 °C above the temperature of glass transition. In these optimized conditions, it could be established that DPL crystallization proceeds in two steps: spontaneous nucleation and growth of large and well-faceted particles of a new crystal form (primary crystals: PC) and subsequent crystallization of a previously known form (RII) that develops from specific surfaces of PC. The formation of PC particles therefore constitutes the key-step of the crystallization events and is shown to be favoured by at least 2.33 wt% of the major chemical impurity, Theophylline.

  14. Human Capital Composition and Economic Growth

    Science.gov (United States)

    Tsai, Chun-Li; Hung, Ming-Cheng; Harriott, Kevin

    2010-01-01

    The objective of this paper is to analyze the effect of various compositions of human capital on economic growth. We construct alternative measures of human capital composition using five fields of study. In each instance, the measure represents the number of graduates in the respective field as a percentage of all graduates. The measures are as…

  15. Study of nucleation, growth and coarsening of precipitates in a novel 9%Cr heat resistant steel: Experimental and modeling

    International Nuclear Information System (INIS)

    Prat, O.; García, J.; Rojas, D.; Sanhueza, J.P.; Camurri, C.

    2014-01-01

    Nucleation, growth and coarsening of three different precipitates (NbC, M 23 C 6 and V(C,N)) in a novel 9%Cr heat resistant steel designed by the authors were investigated. The microstructure evolution after tempering (780 °C/2 h) and after creep (650 °C/100 MPa) was characterized using transmission electron microscopy in the scanning mode (STEM). Thermodynamic and kinetic modeling was carried out using the softwares Thermo-Calc, DICTRA and TC-PRISMA. The Thermo-Calc software predicted formation of NbC, V(C,N) and M 23 C 6 carbides at the tempering temperature of 780 °C. STEM investigations revealed that M 23 C 6 precipitated on prior austenite grain boundaries and lath or block boundaries whereas NbC and V(C,N) were located within sub-grains. Simulations by TC-PRISMA showed that M 23 C 6 , NbC and V(C,N) particles nucleation begins as soon as the tempering treatment starts and it is completed in a very short time, reaching the equilibrium volume fraction after 40 s for M 23 C 6 , 100 s for NbC and 80 s for V(C,N). Best agreement between simulations and experimental investigations was found for low interfacial energy values of 0.1 J m −2 . Both STEM measurements as well as DICTRA simulations indicate very low coarsening rate for both kind of precipitates. Creep tests up to 4000–5000 h suggest that this special combination of NbC, V(C,N) and M 23 C 6 may provide increased pinning of dislocations reducing boundary migration therefore enhancing creep strength. - Highlights: • Nucleation, growth and coarsening of NbC and M 23 C 6 precipitates were investigated. • The microstructure was characterized using transmission electron microscopy (STEM). • Modeling was carried out using the softwares Thermo-Calc, DICTRA and TC-PRISMA. • M 23 C 6 and NbC nucleation begins as soon as the solution treatmentinitiates. • Best agreement modeling/experiments was found for low interfacial energy values of 0.1 J m −2

  16. Aerosol nucleation and growth in the TTL, due to tropical convection, during the ACTIVE campaign

    Science.gov (United States)

    Waddicor, D.; Vaughan, G.; Choularton, T.

    2009-04-01

    The Aerosol and Chemical Transport In tropical convection (ACTIVE) campaign took place between October 2005 and February 2006. This investigation involved the sampling of deep convective storms that occur in the Tropics; the campaign was based in Darwin, Northern Territory, Australia - the latter half of the campaign coincided with the monsoon season. A range of scientific equipment was used to sample the inflow and outflow air from these storms; of particular importance were the NERC Dornier (low-level) and ARA Egrett (high-level outflow) aircraft. The Dornier held a range of aerosol, particle and chemical detectors for the purpose of analysing the planetary boundary layer (PBL), in the vicinity of tropical convection. The Egrett contained detection instrumentation for a range of sizes of aerosol and cloud particles (2 Condensation Particle Counters (CPC), CAPS, CIP, CPI) in the storm outflow. This allowed a quantifiable measurement to be made of the effect of deep tropical convection on the aerosol population in the Tropical Tropopause Layer (TTL). The ACTIVE campaign found that there were large numbers of aerosol particles in the 10 - 100 nm (up to 25,000 /cm3 STP) and 100 - 1000 nm (up to 600 /cm3) size ranges. These values, in many instances, surpassed those found in the PBL. The higher levels of aerosol found in the TTL compared to the PBL could indicate that aerosol nucleation was occurring in the TTL as a direct result of convective activity. Furthermore, the Egrett aircraft found distinct boundaries between the high levels of aerosol, which were found in cloud free regions, and very low numbers of aerosol, which were found in the cloudy regions (storm anvil). The air masses were determined, from back trajectories, to have been through convective uplift and were formerly part of the anvil cloud. The cloudy regions would have contained high levels of entrapped precursor gases. Reduced nucleation and cloud particle scavenging of aerosol and gases would give a

  17. In Situ PDF Study of the Nucleation and Growth of Intermetallic PtPb Nanocrystals

    DEFF Research Database (Denmark)

    Saha, Dipankar; Bojesen, Espen D.; Mamakhel, Mohammad Aref Hasen

    2017-01-01

    The mechanism of Pt and PtPb nanocrystal formation under supercritical ethanol conditions has been investigated by means of in situ X-ray total scattering and pair distribution function (PDF) analysis. The metal complex structures of two different platinum precursor solutions, chloroplatinic acid...... supercritical ethanol process for obtaining phase-pure hexagonal PtPb nanocrystals. The study thus highlights the importance of in situ studies in revealing atomic-scale information about nucleation mechanisms, which can be used in design of specific synthesis pathways, and the new continuous-flow process...

  18. Nucleation and growth of hierarchical martensite in epitaxial shape memory films

    Czech Academy of Sciences Publication Activity Database

    Niemann, R.; Backen, A.; Kauffmann-Weiss, S.; Behler, K.; Rößler, U.K.; Seiner, Hanuš; Heczko, Oleg; Nielsch, K.; Schultz, L.; Fähler, S.

    2017-01-01

    Roč. 132, June (2017), s. 327-334 ISSN 1359-6454 R&D Projects: GA ČR GB14-36566G Institutional support: RVO:61388998 ; RVO:68378271 Keywords : shape memory * martensite * nucleation * Ni-Mn-Ga Subject RIV: BM - Solid Matter Physics ; Magnetism; BM - Solid Matter Physics ; Magnetism (FZU-D) OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.); Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D) Impact factor: 5.301, year: 2016 http://www.sciencedirect.com/science/article/pii/S1359645417303257

  19. Nucleation, Growth Mechanism, and Controlled Coating of ZnO ALD onto Vertically Aligned N-Doped CNTs.

    Science.gov (United States)

    Silva, R M; Ferro, M C; Araujo, J R; Achete, C A; Clavel, G; Silva, R F; Pinna, N

    2016-07-19

    Zinc oxide thin films were deposited on vertically aligned nitrogen-doped carbon nanotubes (N-CNTs) by atomic layer deposition (ALD) from diethylzinc and water. The study demonstrates that doping CNTs with nitrogen is an effective approach for the "activation" of the CNTs surface for the ALD of metal oxides. Conformal ZnO coatings are already obtained after 50 ALD cycles, whereas at lower ALD cycles an island growth mode is observed. Moreover, the process allows for a uniform growth from the top to the bottom of the vertically aligned N-CNT arrays. X-ray photoelectron spectroscopy demonstrates that ZnO nucleation takes place at the N-containing species on the surface of the CNTs by the formation of the Zn-N bonds at the interface between the CNTs and the ZnO film.

  20. Mechanism of nucleation and growth of catalyst-free self-organized GaN columns by MOVPE

    Science.gov (United States)

    Wang, Xue; Li, Shunfeng; Fündling, Sönke; Wehmann, Hergo-H.; Strassburg, Martin; Lugauer, Hans-Jürgen; Steegmüller, Ulrich; Waag, Andreas

    2013-05-01

    The growth mechanism of catalyst-free self-organized GaN nuclei and three-dimensional columns on sapphire by metal organic vapour phase epitaxy (MOVPE) is investigated. Temperature- and time-dependent growth is performed. The growth behaviour can be characterized by two different kinetic regimes: mass-transport-limited growth and thermodynamically limited growth. The sum of activation energies for thermodynamic barrier of nucleation and for surface diffusion/mass-transport limitation, i.e. Whet +Ed, is 0.57 eV in the ‘low’-temperature region and 2.43 eV in the ‘high’-temperature region. GaN columns grown under the same conditions have very comparable height, which is not dependent on their diameter or the distance to other columns. Therefore, the growth rate is presumably limited by the incorporation rate on the top surface of columns. The height and diameter at the top of the GaN columns increase linearly with time and no height limit is observed. The GaN columns can reach more than 40 µm in height. Moreover, the investigated GaN columns are Ga-polar.

  1. Phase-field simulation of nucleation and growth of M{sub 23}C{sub 6} carbide and ferromagnetic phases during creep deformation in Type 304 steel

    Energy Technology Data Exchange (ETDEWEB)

    Tsukada, Yuhki, E-mail: tsukada@silky.numse.nagoya-u.ac.j [Department of Materials, Physics and Energy Engineering, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Shiraki, Atsuhiro; Murata, Yoshinori [Department of Materials, Physics and Energy Engineering, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Takaya, Shigeru [Japan Atomic Energy Agency, 4002 Narita-cho, O-arai-machi, Higashi-ibaraki-gun, Ibaraki 311-1393 (Japan); Koyama, Toshiyuki [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Morinaga, Masahiko [Department of Materials, Physics and Energy Engineering, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan)

    2010-06-15

    A phase-field method was applied to the simulation of simultaneous nucleation and growth of both M{sub 23}C{sub 6} carbide and ferromagnetic {alpha} phases during the creep process in Type 304 steel. Nucleation events of these product phases were explicitly introduced through a probabilistic Poisson seeding process based on local nucleation rates that were calculated as a function of local concentration. The defect energy of the creep dislocations near the carbides, which increases during creep, was integrated into the nucleation driving force for the {alpha} phase. The simulation used in this study accurately reproduced changes in the amounts of the precipitated phases as a function of creep time. Furthermore, we examine the effect of the dislocation density on precipitation of the {alpha} phase, and show that the phase-field method is useful for examining the stochastic and kinetic phenomenon of phase transformation.

  2. Nucleation and Growth of Porous MnO2 Coatings Prepared on Nickel Foam and Evaluation of Their Electrochemical Performance

    Directory of Open Access Journals (Sweden)

    Wenxin Huang

    2018-05-01

    Full Text Available Porous MnO2 was uniformly electrodeposited on nickel foam in MnSO4 solution, which was applied as the electrode of supercapacitors. The nucleation/growth mechanisms of porous MnO2 were investigated firstly. Then two kinds of electrochemical measuring technologies, corresponding to the cycle voltammetry (CV and galvanostatic charge-discharge, were adopted to assess the electrochemical performance of MnO2 electrodes. The results demonstrated that the deposition of MnO2 on nickel foam included four stages. Prior to the deposition, an extremely short incubation period of about 2 s was observed (the first stage. Then the exposed nickel foam was instantly covered by a large number of MnO2 crystal nuclei and crystal nuclei connected with each other in a very short time of about 3 s (the second stage. Nucleation predominated in the second stage. The sharply rise of current was caused by the increase in substrate surface area which due to nucleation of MnO2. Grain boundaries grew preferentially due to their high energy, accompanied with a honeycomb-like structure with the higher surface area was formed. However, accompanied with the electrochemical reactions gradually diffusion-controlled, the current presented the decline trend with increasing the time (the third stage. When the electrochemical reactions were completely diffusion-controlled, the porous MnO2 coating with an approximately constant surface area was formed (the fourth stage. MnO2 coatings deposited for different time (30, 60, 120, 300 s exhibited a similar specific capacitance (CV: about 224 F/g; galvanostatic charge-discharge: about 264 F/g. Comparatively speaking, the value of MnO2 deposited for 600 s was highest (CV: 270 F/g; galvanostatic charge-discharge: 400 F/g.

  3. The role of microcracking on the crack growth resistance of brittle solids and composites

    International Nuclear Information System (INIS)

    Biner, S.B.

    1994-01-01

    A set of numerical analyses of crack growth was preformed to elucidate the influence of microcracking on the fracture behavior of microcracking brittle solids and composites. The random nucleation, orientation and size effects of discrete nucleating microcracks and resulting interactions are fully accounted for in a hybrid finite element model. The results obtained from the finite element analysis are compared with the continuum description of the microcracking. Although continuum description can provide a reasonable estimation of shielding, it fails to resolve the details of micromechanism of toughening resulting from microcracking, since not every shielding event during the course of crack extension corresponds to an increase in the R-curve. Moreover, as seen in the composite cases, the local events leading to toughening behavior may not be associated with the microcracking even in the presence of a large population of microcracks

  4. On the effect of stress on nucleation and growth of precipitates in an Al-Cu-Mg-Ag alloy

    Science.gov (United States)

    Skrotzki, B.; Shiflet, G. J.; Starke, E. A.

    1996-11-01

    A study has been made of the effect of an externally applied tensile stress on Ω and Θ' precipitate nucleation and growth in an Al-Cu-Mg-Ag alloy and a binary Al-Cu alloy which was used as a model system. Both solutionized and solutionized and aged conditions were studied. The mechanical properties have been measured and the microstructures have been characterized by transmission electron microscopy (TEM). The volume fraction and number density, as well as the precipitate size, have been experimentally determined. It was found that for as-solutionized samples aged under stress, precipitation occurs preferentially parallel to the stress axis. A threshold stress has to be exceeded before this effect can be observed. The critical stress for influencing the precipitate habit plane is between 120 and 140 MPa for Ω and between 16 and 19 MPa for Θ' for the aging temperature of 160 °C. The major effect of the applied stress is on the nucleation process. The results are discussed in terms of the role of the lattice misfit between the matrix and the precipitate nucleus.

  5. Nucleation versus instability race in strained films

    Science.gov (United States)

    Liu, Kailang; Berbezier, Isabelle; David, Thomas; Favre, Luc; Ronda, Antoine; Abbarchi, Marco; Voorhees, Peter; Aqua, Jean-Noël

    2017-10-01

    Under the generic term "Stranski-Krastanov" are grouped two different growth mechanisms of SiGe quantum dots. They result from the self-organized Asaro-Tiller-Grinfel'd (ATG) instability at low strain, while at high strain, from a stochastic nucleation. While these regimes are well known, we elucidate here the origin of the transition between these two pathways thanks to a joint theoretical and experimental work. Nucleation is described within the master equation framework. By comparing the time scales for ATG instability development and three-dimensional (3D) nucleation onset, we demonstrate that the transition between these two regimes is simply explained by the crossover between their divergent evolutions. Nucleation exhibits a strong exponential deviation at low strain while ATG behaves only algebraically. The associated time scale varies with exp(1 /x4) for nucleation, while it only behaves as 1 /x8 for the ATG instability. Consequently, at high (low) strain, nucleation (instability) occurs faster and inhibits the alternate evolution. It is then this different kinetic evolution which explains the transition from one regime to the other. Such a kinetic view of the transition between these two 3D growth regimes was not provided before. The crossover between nucleation and ATG instability is found to occur both experimentally and theoretically at a Ge composition around 50% in the experimental conditions used here. Varying the experimental conditions and/or the system parameters does not allow us to suppress the transition. This means that the SiGe quantum dots always grow via ATG instability at low strain and nucleation at high strain. This result is important for the self-organization of quantum dots.

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

    Science.gov (United States)

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

    2017-12-01

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

  7. Designing maleic anhydride-{alpha}-olifin copolymeric combs as wax crystal growth nucleators

    Energy Technology Data Exchange (ETDEWEB)

    Soni, Hemant P. [Department of Chemistry, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara-390 002 (India); Kiranbala; Bharambe, D.P. [Department of Applied Chemistry, Faculty of Technology and Engineering, The Maharaja Sayajirao University of Baroda, Vadodara-390 001 (India); Agrawal, K.S. [Department of Petrochemical Technology, Polytechnic, The Maharaja Sayajirao University of Baroda, Vadodara-390 002 (India); Nagar, A. [MH ASSET, ONGC, Mumbai (India)

    2010-09-15

    Modification of the wax crystal habit is of great practical interest during transportation and processing of crude oil at low temperature. Various pour point depressant (PPD) additives can facilitate this modification by different mechanisms. Comb shaped polymer additives are known to depress the pour point of crude oil by providing different nucleation sites for the precipitation of wax. This paper describes performance based design, synthesis, characterization and evaluation of comb shaped polymeric diesters. Copolymers of maleic anhydride with different unsaturated C{sub 22} esters were synthesized and copolymers then reacted with two unsaturated fatty alcohols. All products were characterized by Fourier Transform Infra Red (FTIR) spectroscopy and Gel Permeation Chromatography (GPC). Rheological properties of crude (with and without additive) were studied by Advance Rheometer AR-500. In this study the additive based on oleic acid was evaluated as good PPD and rheology modifier. (author)

  8. Nucleation and Growth of Ordered Arrays of Silver Nanoparticles on Peptide Nanofibers: Hybrid Nanostructures with Antimicrobial Properties.

    Science.gov (United States)

    Pazos, Elena; Sleep, Eduard; Rubert Pérez, Charles M; Lee, Sungsoo S; Tantakitti, Faifan; Stupp, Samuel I

    2016-05-04

    Silver nanoparticles have been of great interest as plasmonic substrates for sensing and imaging, catalysts, or antimicrobial systems. Their physical properties are strongly dependent on parameters that remain challenging to control such as size, chemical composition, and spatial distribution. We report here on supramolecular assemblies of a novel peptide amphiphile containing aldehyde functionality in order to reduce silver ions and subsequently nucleate silver metal nanoparticles in water. This system spontaneously generates monodisperse silver particles at fairly regular distances along the length of the filamentous organic assemblies. The metal-organic hybrid structures exhibited antimicrobial activity and significantly less toxicity toward eukaryotic cells. Metallized organic nanofibers of the type described here offer the possibility to create hydrogels, which integrate the useful functions of silver nanoparticles with controllable metallic content.

  9. Nucleation and growth process of sodalite and cancrinite from kaolinite-rich clay under low-temperature hydrothermal conditions

    Directory of Open Access Journals (Sweden)

    Carlos Alberto Ríos Reyes

    2013-04-01

    Full Text Available The synthesis of low-silica zeotypes by hydrothermal transformation of kaolinite-rich clay and the nucleation and growth processes of sodalite and cancrinite in the system Na2O-Al2O3-SiO2-H2O at 100 °C were investigated. The synthesis products were characterized by X-ray powder diffraction (XRPD, scanning electron microscopy (SEM, Fourier transform infrared spectroscopy (FT-IR, 29Si and 27Al Magic Angle Spinning Nuclear Magnetic Resonance (MAS-NMR and thermogravimetric analysis (TGA. Our data show that the sequence of the transformation of phases is: Poorly crystalline aluminosilicate → zeolite LTA → sodalite → sodalite + cancrinite → cancrinite. Synthesized materials appeared stable thermodynamically under the experimental conditions, with zeolite LTA (a metastable phase occurring as a minor phase, compared with the presence of sodalite and cancrinite.

  10. Electrodeposition of nanocrystalline CdSe thin films from dimethyl sulfoxide solution: Nucleation and growth mechanism, structural and optical studies

    International Nuclear Information System (INIS)

    Henriquez, R.; Badan, A.; Grez, P.; Munoz, E.; Vera, J.; Dalchiele, E.A.; Marotti, R.E.; Gomez, H.

    2011-01-01

    Highlights: → Electrodeposition of CdSe nanocrystalline semiconductor thin films. → Polycrystalline wurtzite structure with a slight (1010) preferred orientation. → Absorption edge shifts in the optical properties due to quantum confinement effects. - Abstract: Cadmium selenide (CdSe) nanocrystalline semiconductor thin films have been synthesized by electrodeposition at controlled potential based in the electrochemical reduction process of molecular selenium in dimethyl sulfoxide (DMSO) solution. The nucleation and growth mechanism of this process has been studied. The XRD pattern shows a characteristic polycrystalline hexagonal wurtzite structure with a slight (1 0 1 0) crystallographic preferred orientation. The crystallite size of nanocrystalline CdSe thin films can be simply controlled by the electrodeposition potential. A quantum size effect is deduced from the correlation between the band gap energy and the crystallite size.

  11. SPA-LEED Study of the Morphology and Nucleation of a Novel Growth Mode and the ''devil's staircase'' on Pb/Si(111)

    International Nuclear Information System (INIS)

    Wang-Chi Vincent Yeh

    2003-01-01

    This thesis was developed to address the following questions for the Pb/Si(111) system: (1) Is it possible to control the nano-structure growth by changing the initial substrate; (2) is the nucleation theory applicable to the case of the 7-step growth mode; and (3) what phase or phases could be formed between coverage 6/5 ML and 4/3 ML? The first question was answered in chapter 2, different growth results were observed for different initial substrate, suggesting the possibility of controlling nano-structure growth by selecting the initial substrate. The applicability of nucleation theory was determined to be unclear in chapter 3, from the results that the saturation island density does not depend on deposition rate, in contrary to the prediction of nucleation theory. Chapter 4 revealed a novel ''devil's staircase'' in Pb/Si(111) within the coverage range 6/5 ML and 4/3 ML. Low temperature deposition experiments showed high order of self-organization in such a system. Theoretical studies are needed to understand such a low temperature behavior. In general, this thesis provides possibilities of controlling nano-structure growth, which can be possibly an indication for future application. It also raises interesting questions in fundamental researches: a modified theory of nucleation is needed, and a detailed study of low temperature behavior is required. Details of the conclusions in each of the chapters are collected in the following sections

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

    Directory of Open Access Journals (Sweden)

    Fei Peng

    2016-01-01

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

  13. Supersaturation Control using Analytical Crystal Size Distribution Estimator for Temperature Dependent in Nucleation and Crystal Growth Phenomena

    Science.gov (United States)

    Zahari, Zakirah Mohd; Zubaidah Adnan, Siti; Kanthasamy, Ramesh; Saleh, Suriyati; Samad, Noor Asma Fazli Abdul

    2018-03-01

    The specification of the crystal product is usually given in terms of crystal size distribution (CSD). To this end, optimal cooling strategy is necessary to achieve the CSD. The direct design control involving analytical CSD estimator is one of the approaches that can be used to generate the set-point. However, the effects of temperature on the crystal growth rate are neglected in the estimator. Thus, the temperature dependence on the crystal growth rate needs to be considered in order to provide an accurate set-point. The objective of this work is to extend the analytical CSD estimator where Arrhenius expression is employed to cover the effects of temperature on the growth rate. The application of this work is demonstrated through a potassium sulphate crystallisation process. Based on specified target CSD, the extended estimator is capable of generating the required set-point where a proposed controller successfully maintained the operation at the set-point to achieve the target CSD. Comparison with other cooling strategies shows a reduction up to 18.2% of the total number of undesirable crystals generated from secondary nucleation using linear cooling strategy is achieved.

  14. Nucleation and growth of apatite on NaOH-treated PEEK, HDPE and UHMWPE for artificial cornea materials.

    Science.gov (United States)

    Pino, M; Stingelin, N; Tanner, K E

    2008-11-01

    The skirt of an artificial cornea must integrate the implant to the host sclera, a major failure of present devices. Thus, it is highly desirable to encourage the metabolic activity of the cornea by using more bioactive, flexible skirt materials. Here we describe attempts to increase the bioactivity of polyether ether ketone (PEEK), high-density polyethylene (HDPE) and ultra-high molecular weight polyethylene (UHMWPE) films. The effectiveness of different strength NaOH pre-treatments to initiate apatite deposition on PEEK, HDPE and UHMWPE is investigated. We find that exposure of PEEK, HDPE and UHMWPE films to NaOH solutions induces the formation of potential nuclei for apatite (calcium phosphate), from which the growth of an apatite coating is stimulated when subsequently immersing the polymer films in 1.5 strength Simulated Body Fluid (SBF). As immersion time in SBF increases, further nucleation and growth produces a thicker and more compact apatite coating that can be expected to be highly bioactive. Interestingly, the apatite growth is found to also be dependent on both the concentration of NaOH solution and the structure of the polymer surface.

  15. Growth performance, body measurements, carcass composition and ...

    African Journals Online (AJOL)

    Gizzard percentage was significantly greater in males, and heart percentage was significantly greater in females. Due to their high bodyweight, good FCR, and favourable carcass composition, SM3 Heavy male ducks are more useful as broiler duck than females. Keywords: carcasses, digestive system, growth, Pekin duck, ...

  16. A Review on Metal Nanoparticles Nucleation and Growth on/in Graphene

    OpenAIRE

    Francesco Ruffino; Filippo Giannazzo

    2017-01-01

    In this review, the fundamental aspects (with particular focus to the microscopic thermodynamics and kinetics mechanisms) concerning the fabrication of graphene-metal nanoparticles composites are discussed. In particular, the attention is devoted to those fabrication methods involving vapor-phase depositions of metals on/in graphene-based materials. Graphene-metal nanoparticles composites are, nowadays, widely investigated both from a basic scientific and from several technological point of v...

  17. Nucleation-growth of salicylic acid-oxoTiO{sub 2} colloids synthesized by sol-gel processing

    Energy Technology Data Exchange (ETDEWEB)

    Tieng, S.; Jia, Z. [Laboratoire des Sciences des Procédés et des Matériaux, CNRS, Université Paris 13, Sorbonne Paris Cité, 99 avenue J.-B. Clément, 93430 Villetaneuse (France); Subra-Paternault, P. [Laboratoire de Chimie et Biologie des Membranes et Nanoobjets, CBMN – UMR 5248, Bâtiment, 14B, Allée Geoffroy Saint Hilaire, 33600 Pessac (France); Kanaev, A. [Laboratoire des Sciences des Procédés et des Matériaux, CNRS, Université Paris 13, Sorbonne Paris Cité, 99 avenue J.-B. Clément, 93430 Villetaneuse (France); Chhor, K., E-mail: khay.chhor@lspm.cnrs.fr [Laboratoire des Sciences des Procédés et des Matériaux, CNRS, Université Paris 13, Sorbonne Paris Cité, 99 avenue J.-B. Clément, 93430 Villetaneuse (France)

    2014-12-15

    In this work, the preparation of hybrid oxo-TiO{sub 2} nanoparticles modified by salicylic acid (SA) is reported. The size-selected TiO{sub 2} nanoparticles were synthesized in a sol-gel reactor with rapid micromixing of reagents and binding of SA molecules occurs at the nucleation stage. UV-visible absorption, Raman spectroscopy and Light scattering measurements evidence the formation of a SA–oxo-TiO{sub 2} charge-transfer complex. In particularly, the C=O vibration mode of SA shifts to lower frequencies upon complexation while the C-O vibration modes of both carboxylate and phenolic groups retain their position. The absence of C-O shift comes from two effects that cancel each other, i.e. the hardening of this mode related to the C=O mode changes and its softening due to the replacement of hydrogen in COH group by Ti atoms. Kinetic studies of the oxo-TiO{sub 2} nanoparticles nucleation and growth in presence of SA show that the acidic ligand at the nanoparticle surface acts as an attractor for another oxo-TiO{sub 2} nanoparticle leading to polycondensation. This mechanism is responsible for the acceleration of the nanoparticle aggregation kinetics and shortening of the induction time. The hybrid nanoparticles are stable at pH ≤ 7.7 and release SA molecules at pH ≥ 8.5. - Highlights: • Hybrid oxo-TiO{sub 2} nanoparticles modified by salicylic acid (SA) are prepared. • The synthesis is achieved during the nucleation stage of sol-gel process. • The formation of SA–oxo-TiO{sub 2} charge-transfer complex is evidenced. • Mechanism responsible for the acceleration of the nanoparticle aggregation kinetics is proposed. • SA-TiO{sub 2} nanoparticles are stable at pH ≤ 7.7 and release SA molecules at pH ≥ 8.5.

  18. RETRACTED: Nucleation and growth behavior of well-aligned ZnO nanorods on organic substrates in aqueous solutions

    Science.gov (United States)

    Lin, Chin-Ching; Chen, San-Yuan; Cheng, Syh-Yuh

    2005-09-01

    Available online : 21 July 2005 This article has been retracted: please see Elsevier Policy on Article Withdrawal (http://www.elsevier.com/locate/withdrawalpolicy). This article has been retracted at the request of the Editor-in-Chief. Two papers published in the Journal of Crystal Growth are being retracted due to a case of misrepresentation and reuse of data. A reader of the Journal has brought to our attention the reuse of data within two published papers: Growth behavior and microstructure evolution of ZnO nanorods grown on Si in aqueous solution, Sz-Chian Liou, Chi-Sheng Hsiao, San-Yuan Chen, Journal of Crystal Growth 274 (2005) 438-446. DOI: 10.1016/j.jcrysgro.2004.10.025 Nucleation and growth behavior of well-aligned ZnO nanorods on organic substrates in aqueous solutions, Chin-Ching Lin, San-Yuan Chen, and Syh-Yuh Cheng, Journal of Crystal Growth 283 (2005) 141-146. DOI: 10.1016/j.jcrysgro.2005.05.065 In these papers the same transmission electron micrograph was used to describe two different experimental situations and results bringing into question the content of these papers. The reuse of data without proper attribution is not acceptable within the scientific publishing community. In the present case, this is compounded by the attribution of the micrograph to a different experimental situation and drawing , as a result, new conclusions from data obtained from different samples. Such behavior undermines the integrity of the scientific publishing endeavor and is not acceptable. The authors are responsible for the content of their papers.

  19. Simulation of the long term alteration of clay minerals in engineered bentonite barriers: nucleation and growth of secondary clay particles

    International Nuclear Information System (INIS)

    Fritz, B.; Clement, A.; Zwingmann, H.; Noguera, C.

    2010-01-01

    with elevated temperature. Thermodynamic effects are then combined with solubility products and kinetic effects on nucleation and growth of precipitated particles. It is a real challenge for geo-chemists to be able to account for precipitation kinetics in water-rock interaction models, particularly considering systems on short to mid terms (x 1000 y) compared to geological timescales. The recently developed code NANOKIN models dissolution processes of primary minerals as well as the kinetics of precipitation of secondary minerals taking into account the first steps of nucleation and growth and the subsequent evolution of the classes of particles precipitated. With these modellings the predicted evolution of the clay phase gives information on the crystal size distribution of secondary particles precipitated as a function of time. The model also examines the state of the aqueous solution with various mineral phases and combines the classical theory of crystal nucleation with size and morphology dependent kinetic rate laws for growth and/or dissolution of particles i.e. Oswald ripening processes. Ion exchange in mineral phases, and particularly in clay minerals has to be considered as a possible geochemical process taking place in clay barriers under storage conditions. This process might control first the transfer or the fixation of the major cations present in aqueous solutions (Ca 2+ , Mg 2+ , K + , Na + mainly but also H + , Fe 2+ , Al 3+ ) but also radionuclide cations if they might diffuse in the barriers after corrosion of the canisters on long term. When one considers this process from the simulation point of view, the challenge is not so easy. The same simulation has to combine kinetic processes with largely different time scales: near equilibrium cationic exchange reactions, which can be considered as quasi-instantaneous, and clay mineral precipitation which occurs on longer term in over-saturation state with respect to the solution. We have extended the code

  20. Grain Nucleation and Growth in Deformed NiTi Shape Memory Alloys: An In Situ TEM Study

    Science.gov (United States)

    Burow, J.; Frenzel, J.; Somsen, C.; Prokofiev, E.; Valiev, R.; Eggeler, G.

    2017-12-01

    The present study investigates the evolution of nanocrystalline (NC) and ultrafine-grained (UFG) microstructures in plastically deformed NiTi. Two deformed NiTi alloys were subjected to in situ annealing in a transmission electron microscope (TEM) at 400 and 550 °C: an amorphous material state produced by high-pressure torsion (HPT) and a mostly martensitic partly amorphous alloy produced by wire drawing. In situ annealing experiments were performed to characterize the microstructural evolution from the initial nonequilibrium states toward energetically more favorable microstructures. In general, the formation and evolution of nanocrystalline microstructures are governed by the nucleation of new grains and their subsequent growth. Austenite nuclei which form in HPT and wire-drawn microstructures have sizes close to 10 nm. Grain coarsening occurs in a sporadic, nonuniform manner and depends on the physical and chemical features of the local environment. The mobility of grain boundaries in NiTi is governed by the local interaction of each grain with its microstructural environment. Nanograin growth in thin TEM foils seems to follow similar kinetic laws to those in bulk microstructures. The present study demonstrates the strength of in situ TEM analysis and also highlights aspects which need to be considered when interpreting the results.

  1. Large stability and high catalytic activities of sub-nm metal (0) clusters: implications into the nucleation and growth theory.

    Science.gov (United States)

    Piñeiro, Yolanda; Buceta, David; Calvo, Javier; Huseyinova, Shahana; Cuerva, Miguel; Pérez, Ángel; Domínguez, Blanca; López-Quintela, M Arturo

    2015-07-01

    Clusters are stable catalytic species, which are produced during the synthesis of nanoparticles (NPs). Their existence contradicts the thermodynamic principles used to explain the formation of NPs by the classical nucleation and growth theories (NGTs). Using chemical and electrochemical methods we will show that depending on the experimental conditions one can produce either Ag clusters or Ag NPs. Moreover, using already prepared Ag clusters one can observe the disappearance of the usual induction period observed for the kinetics of NP formation, indicating that clusters catalyze the formation of NPs. Taking these data together with some previous examples of cluster-catalyzed anisotropic growth, we derived a qualitative approach to include the catalytic activities of clusters into the formation of NPs, which is incorporated into the NGT. Some qualitative conclusions about the main experimental parameters, which affect the formation of clusters versus NPs, as well as the catalytic mechanism versus the non-catalytic one, are also described. Copyright © 2015 Elsevier Inc. All rights reserved.

  2. Inhibition of crystal nucleation and growth by water-soluble polymers and its impact on the supersaturation profiles of amorphous drugs.

    Science.gov (United States)

    Ozaki, Shunsuke; Kushida, Ikuo; Yamashita, Taro; Hasebe, Takashi; Shirai, Osamu; Kano, Kenji

    2013-07-01

    The impact of water-soluble polymers on drug supersaturation behavior was investigated to elucidate the role of water-soluble polymers in enhancing the supersaturation levels of amorphous pharmaceuticals. Hydroxypropyl methylcellulose (HPMC), polyvinylpyrrolidone (PVP), and Eudragit L-100 (Eudragit) were used as representative polymers, and griseofulvin and danazol were used as model drugs. Supersaturation profiles of amorphous drugs were measured in biorelevant dissolution tests. Crystal growth rate was measured from the decrease in dissolved drug concentration in the presence of seed crystals. Nucleation kinetics was evaluated by measuring the induction time for nucleation. All experiments were performed in the presence and absence of polymers. The degree of supersaturation of the amorphous model drugs increased with an increase in the inhibitory efficiency of polymers against crystal nucleation and growth (HPMC > PVP > Eudragit). In the presence of HPMC, the addition of seed crystals diminished the supersaturation ratio dramatically for griseofulvin and moderately for danazol. The results demonstrated that the polymers contributed to drug supersaturation by inhibiting both nucleation and growth. The effect of the polymers was drug dependent. The detailed characterization of polymers would allow selection of appropriate crystallization inhibitors and a planned quality control strategy for the development of supersaturable formulations. Copyright © 2013 Wiley Periodicals, Inc.

  3. A Molecular Dynamics Approach for Nucleation-Growth of Cryogenic Cavitation

    KAUST Repository

    Tsuda, Shin-ichi; Komatsu, Taiga; Takagi, Shu; Matsumoto, Yoichiro

    2011-01-01

    The growth of cavitation bubble nuclei in a metastable state in liquid argon, as one of cryogenic fluids, was investigated using a Molecular Dynamics (MD) simulation with a Nosé-Hoover chain thermostat. We observed rapid growth of bubble nuclei with weak inter-bubble interaction in the early stage, while observed a competing coarsening that looks like Ostwald ripening in the late stage and its growth exponent n became 0.51. We compared the present MD result with that in an adiabatic simulation (Energy-constant MD without any thermostats), and the influence of the field temperature was discussed. Also, we compared the present MD results with a coarsening theory for droplets, and discussed the characteristics of the coarsening mechanism of bubble nuclei. Copyright © 2011 by ASME.

  4. Plasma-deposited aluminum-doped zinc oxide : controlling nucleation, growth and electrical properties

    NARCIS (Netherlands)

    Ponomarev, M.

    2012-01-01

    In this work, the Expanding Thermal Plasma (ETP) deposition technique was employed to study the growth development of ZnO:Al thin film as a transparent conductive oxide layer for sustainable applications. Characteristic for ETP-grown ZnO:Al is a gradually reducing resistivity of the growing layer

  5. Using measurements of the aerosol charging state in determination of the particle growth rate and the proportion of ion-induced nucleation

    Directory of Open Access Journals (Sweden)

    J. Leppä

    2013-01-01

    Full Text Available The fraction of charged nucleation mode particles as a function of particle diameter depends on the particle growth rate and the proportion of particles formed via ion-induced nucleation. In this study we have tested the applicability of recent data analysis methods to determine the growth rate and the proportion of ion-induced nucleation from the measured charged fractions. For this purpose we have conducted a series of aerosol dynamic simulations covering a wide range of atmospheric conditions. The growth rate and initial fraction of charged particles were estimated from simulated data using these methods and compared with the values obtained directly from the simulations. We found that the data analysis methods used in this study should not be used when the nuclei growth rate is less than ~3 nm h−1, or when charged particles grow much more rapidly than neutral ones. Furthermore, we found that the difference in removal rates of neutral and charged particles should be taken into account when estimating the proportion of ion-induced nucleation. Neglecting the higher removal rate of charged particles compared with that of neutral ones could result in an underestimation of the proportion of ion-induced nucleation by up to a factor of 2. This underestimation is further increased if charged particles grow more rapidly than neutral ones. We also provided a simple way of assessing whether these methods are suitable for analyzing data measured under specific conditions. The assessment procedure was illustrated using a few examples of actual measurement sites with a more detailed examination of the typical conditions observed at the SMEAR II station in Hyytiälä, Finland.

  6. Investigation and comparison of GaN nanowire nucleation and growth by the catalyst-assisted and self-induced approaches

    Energy Technology Data Exchange (ETDEWEB)

    Cheze, Caroline

    2010-03-04

    This work focuses on the nucleation and growth mechanisms of GaN nanowires (NWs) by molecular beam epitaxy (MBE). The two main novelties of this study are the intensive employment of in-situ techniques and the direct comparison of selfinduced and catalyst-induced NWs. On silicon substrates, GaN NWs form in MBE without the use of any external catalyst seed. On sapphire, in contrast, NWs grow under identical conditions only in the presence of Ni seeds. NW nucleation was studied in situ by reflection high-energy electron diffraction (RHEED) in correlation with line-of-sight quadrupole mass spectrometry (QMS). The latter technique allows to monitor the incorporated amount of Ga. For the catalyst-assisted approach, three nucleation stages were identified: first incorporation of Ga into the Ni seeds, second transformation of the seed crystal structure due to Ga accumulation, and last GaN growth under the seeds. The crystalline structure of the seeds during the first two stages is in accord with the Ni-Ga binary phase diagram and evidenced that only Ga incorporates into the Ni particles. GaN forms only after the Ga concentration is larger than the one of Ni. The observation of diffraction patterns generated by the Ni-Ga seed particles during the whole nucleation evidences the solid state of the seeds. Moreover, the QMS study showed that it is not Ga incorporation into Ni but GaN nucleation itself that limits the growth processes. For the self-induced NWs, QMS and RHEED investigations indicate very similar nucleation processes on Si(001) and Si(111) and two nucleation stages were identified. Transmission electron microscopy on samples grown on Si(001) revealed that the first stage is characterized by the competition between the nucleation of crystalline Si{sub x}N{sub y} and GaN. During this stage, the Si surface strongly roughens by the formation of pits and Si mounds. At the same time, very few GaN islands nucleate. During the second stage, the amorphization of the Si

  7. Lecithin hydrophobicity modulates the process of cholesterol crystal nucleation and growth in supersaturated model bile systems.

    OpenAIRE

    Ochi, H; Tazuma, S; Kajiyama, G

    1996-01-01

    The present study was performed to determine whether the degree of lecithin hydrophobicity regulates bile metastability and, therefore, affects the process of cholesterol crystallization. Supersaturated model bile (MB) solutions were prepared with an identical composition on a molar basis (taurocholate/lecithin/cholesterol, 73:19.5:7.5; total lipid concentration 9 g/dl) except for the lecithin species; egg yolk phosphatidylcholine, soybean phosphatidylcholine, 1-palmitoyl-2-linoleoyl-sn-phosp...

  8. Effects of local film properties on the nucleation and growth of tin whiskers and hillocks

    Science.gov (United States)

    Sarobol, Pylin

    Whiskers and hillocks grow spontaneously on Pb-free Sn electrodeposited films as a response to thin film stresses. Stress relaxation occurs by atom deposition to specific grain boundaries in the plane of the film, with hillocks being formed when grain boundary migration accompanies growth out of the plane of the film. The implication for whisker formation in electronics is serious: whiskers can grow to be millimeters long, sometimes causing short circuiting between adjacent components and, thereby, posing serious electrical reliability risks. In order to develop more effective whisker mitigation strategies, a predictive physics-based model has been needed. A growth model is developed, based on grain boundary faceting, localized Coble creep, as well as grain boundary sliding for whiskers, and grain boundary sliding with shear induced grain boundary migration for hillocks. In this model of whisker formation, two mechanisms are important: accretion of atoms by Coble creep on grain boundary planes normal to the growth direction inducing a grain boundary shear and grain boundary sliding in the direction of whisker growth. The model accurately captures the importance of the geometry of "surface grains"---shallow grains on film surfaces whose depths are significantly less than their in-plane grain sizes. A critical factor in the analysis is the ratio of the grain boundary sliding coefficient to the in-plane film compressive stress. If the accretion-induced shear stresses are not coupled to grain boundary motion and sliding occurs, a whisker forms. If the shear stress is coupled to grain boundary migration, a hillock forms. Based on this model, long whiskers grow from shallow surface grains with easy grain boundary sliding in the direction of growth. Other observed growth morphologies will be discussed in light of our model. Additional insights into the preferred sites for whisker and hillock growth were developed based on elastic anisotropy, local film microstructure

  9. Crystal Nucleation and Crystal Growth and Mass Transfer in Internally Mixed Sucrose/NaNO3 Particles.

    Science.gov (United States)

    Ji, Zhi-Ru; Zhang, Yun; Pang, Shu-Feng; Zhang, Yun-Hong

    2017-10-19

    Secondary organic aerosols (SOA) can exist in a glassy or semisolid state under low relative humidity (RH) conditions, in which the particles show nonequilibrium kinetic characteristics with changing ambient RH. Here, we selected internally mixed sucrose/NaNO 3 droplets with organic to inorganic molar ratios (OIRs) of 1:8, 1:4, 1:2, and 1:1 as a proxy for multicomponent ambient aerosols to study crystal nucleation and growth processes and water transport under a highly viscous state with the combination of an RH-controlling system and a vacuum Fourier transform infrared (FTIR) spectrometer. The initial efflorescence RH (ERH) of NaNO 3 decreased from ∼45% for pure NaNO 3 droplets to ∼38.6 and ∼37.9% for the 1:8 and 1:4 sucrose/NaNO 3 droplets, respectively, while no crystallization of NaNO 3 occurred for the 1:2 and 1:1 droplets in the whole RH range. Thus, the addition of sucrose delayed the ERH and even completely inhibited nucleation of NaNO 3 in the mixed droplets. In addition, the crystal growth of NaNO 3 was suppressed in the 1:4 and 1:8 droplets most likely due to the slow diffusion of Na + and NO 3 - ions at low RH. Water uptake/release of sucrose/NaNO 3 particles quickly arrived at equilibrium at high RH, while the hygroscopic process was kinetically controlled under low RH. The half-time ratio between the liquid water content and the RH was used to describe the mass transfer behavior. For the 1:1 droplets, no mass limitation was observed with the ratio approaching to 1 when the RH was higher than 53%. The ratio increased 1 order of magnitude under an ultraviscous state with RH ranging from 53 to 15% and increased a further 1 order of magnitude at RH < 15% under a glassy state.

  10. Fatigue cracks in Eurofer 97 steel: Part I. Nucleation and small crack growth kinetics

    Czech Academy of Sciences Publication Activity Database

    Kruml, Tomáš; Polák, Jaroslav

    2011-01-01

    Roč. 412, 1 (2011), s. 2-6 ISSN 0022-3115 R&D Projects: GA ČR GA106/09/1954; GA ČR GA101/09/0867 Institutional research plan: CEZ:AV0Z20410507 Keywords : ferritic-martensitic steel * low cycle fatigue * small crack growth * fatigue life prediction Subject RIV: JL - Materials Fatigue, Friction Mechanics Impact factor: 2.052, year: 2011

  11. Optimization of ion assist beam deposition of magnesium oxide template films during initial nucleation and growth

    Energy Technology Data Exchange (ETDEWEB)

    Groves, James R [Los Alamos National Laboratory; Matias, Vladimir [Los Alamos National Laboratory; Stan, Liliana [Los Alamos National Laboratory; De Paula, Raymond F [Los Alamos National Laboratory; Hammond, Robert H [STANFORD UNIV.; Clemens, Bruce M [STANFOED UNIV.

    2010-01-01

    Recent efforts in investigating the mechanism of ion beam assisted deposition (IBAD) of biaxially textured thin films of magnesium oxide (MgO) template layers have shown that the texture develops suddenly during the initial 2 nm of deposition. To help understand and tune the behavior during this initial stage, we pre-deposited thin layers of MgO with no ion assist prior to IBAD growth of MgO. We found that biaxial texture develops for pre-deposited thicknesses < 2 nm, and that the thinnest layer tested, at 1 nm, resulted in the best qualitative RHEED image, indicative of good biaxial texture development. The texture developed during IBAD growth on the 1.5 nm pre-deposited layer is slightly worse and IBAD growth on the 2 nm pre-deposited layer produces a fiber texture. Application of these layers on an Al{sub 2}O{sub 3} starting surface, which has been shown to impede texture development, improves the overall quality of the IBAD MgO and has some of the characteristics of a biaxially texture RHEED pattern. It is suggested that the use of thin (<2 nm) pre-deposited layers may eliminate the need for bed layers like Si{sub 3}N{sub 4} and Y{sub 2}O{sub 3} that are currently thought to be required for proper biaxial texture development in IBAD MgO.

  12. A Review on Metal Nanoparticles Nucleation and Growth on/in Graphene

    Directory of Open Access Journals (Sweden)

    Francesco Ruffino

    2017-07-01

    Full Text Available In this review, the fundamental aspects (with particular focus to the microscopic thermodynamics and kinetics mechanisms concerning the fabrication of graphene-metal nanoparticles composites are discussed. In particular, the attention is devoted to those fabrication methods involving vapor-phase depositions of metals on/in graphene-based materials. Graphene-metal nanoparticles composites are, nowadays, widely investigated both from a basic scientific and from several technological point of views. In fact, these graphene-based systems present wide-range tunable and functional electrical, optical, and mechanical properties which can be exploited for the design and production of innovative and high-efficiency devices. This research field is, so, a wide and multidisciplinary section in the nanotechnology field of study. So, this review aims to discuss, in a synthetic and systematic framework, the basic microscopic mechanisms and processes involved in metal nanoparticles formation on graphene sheets by physical vapor deposition methods and on their evolution by post-deposition processes. This is made by putting at the basis of the discussions some specific examples to draw insights on the common general physical and chemical properties and parameters involved in the synergistic interaction processes between graphene and metals.

  13. Interface-Limited Spherulitic Growth of Hydroxyapatite/Chondroitin Sulfate Composite Enamel-like Films

    Science.gov (United States)

    Ma, Guobin; Xu, Yifei; Wang, Xiyan; Wang, Mu

    2012-02-01

    Understanding and mimicking the growth of hard tissues such as tooth enamel may lead to innovative approaches toward engineering novel functional materials and providing new therapeutics. Up to now, in vitro growth of enamel-like materials is still a great challenge, and the microscopic formation mechanisms are far from well understood. Here we report synthesis of large-scale hydroxyapatite (HAP) and chondroitin sulfate (ChS) composite films by an efficient solution-air interface growth method. The products have the characteristic hierarchical prism structures of enamel and the mechanical properties comparable to dentin. We demonstrate that the films are assembled by spherulites nucleated at the solution surface. The growth of the spherulites is limited by the interfaces between them as well as between the solution and air, leading to the ordered prism structure. The results are beneficial for a clearer understanding of the fundamentals of tooth enamel formation.

  14. Overview: Nucleation of clathrate hydrates.

    Science.gov (United States)

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

    2016-12-07

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

  15. Overview: Nucleation of clathrate hydrates

    Science.gov (United States)

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

    2016-12-01

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

  16. In situ studies of oxide nucleation, growth, and transformation using slow electrons

    Science.gov (United States)

    Flege, Jan Ingo; Grinter, David C.

    2018-05-01

    Surface processes such as metal oxidation and metal oxide growth invariably influence the physical and chemical properties of materials and determine their interaction with their surroundings and hence their functionality in many technical applications. On a fundamental level, these processes are found to be governed by a complex interplay of thermodynamic variables and kinetic constraints, resulting in a rich variety of material-specific phenomena. In this review article, we discuss recent results and insights on transition metal oxidation and rare-earth oxide growth acquired by low-energy electron microscopy and related techniques. We demonstrate that the use of in situ surface sensitive methods is a prerequisite to gaining a deeper understanding of the underlying concepts and the mechanisms responsible for the emerging oxide structure and morphology. Furthermore, examples will be provided on how structural and chemical modifications of the oxide films and nanostructures can be followed in real-time and analyzed in terms of local reactivity and cooperative effects relevant for heterogeneous model catalysis.

  17. Investigation of active biomolecules involved in the nucleation and growth of gold nanoparticles by Artocarpus heterophyllus Lam leaf extract

    Science.gov (United States)

    Jiang, Xinde; Sun, Daohua; Zhang, Genlei; He, Ning; Liu, Hongyu; Huang, Jiale; Odoom-Wubah, Tareque; Li, Qingbiao

    2013-06-01

    The effects of different biomolecules in Artocarpus heterophyllus Lam leaf extract on the morphology of obtained gold nanoparticles were investigated in this study. The results indicated that reducing sugars, flavones, and polyphenols consisting of about 79.8 % dry weight of the leaf extract were mainly involved in providing the dual function of reduction and the size/shape control during the biosynthesis. The gold nanoparticles present included 64 ± 10 nm nanospheres, 131 ± 18 nm nanoflowers, and 347 ± 136 nm (edge length) nanoplates and they were synthesized using the main content of reducing sugars, flavones, and polyphenols, respectively, after they were desorbed by the AB-8 macroporous adsorption resin column. Particularly, flower-like and triangular/hexagonal gold nanoparticles with a yield more than 80 % were obtained. Possible shape-directed agents for the nucleation and growth were characterized by FTIR, it can be seen that ketones were bound on the surface of the spherical and flower-like GNPs, while both the ketones and carbonyls bound on the Au {111} plane this may have favored the formation of the twin defects, which are very essential for nanoplates' formation.

  18. Directed Self-Assembly of Star-Block Copolymers by Topographic Nanopatterns through Nucleation and Growth Mechanism.

    Science.gov (United States)

    Krishnan, Mohan Raj; Lu, Kai-Yuan; Chiu, Wen-Yu; Chen, I-Chen; Lin, Jheng-Wei; Lo, Ting-Ya; Georgopanos, Prokopios; Avgeropoulos, Apostolos; Lee, Ming-Chang; Ho, Rong-Ming

    2018-04-01

    Exploring the ordering mechanism and dynamics of self-assembled block copolymer (BCP) thin films under confined conditions are highly essential in the application of BCP lithography. In this study, it is aimed to examine the self-assembling mechanism and kinetics of silicon-containing 3-arm star-block copolymer composed of polystyrene (PS) and poly(dimethylsiloxane) blocks as nanostructured thin films with perpendicular cylinders and controlled lateral ordering by directed self-assembly using topographically patterned substrates. The ordering process of the star-block copolymer within fabricated topographic patterns with PS-functionalized sidewall can be carried out through the type of secondary (i.e., heterogeneous) nucleation for microphase separation initiated from the edge and/or corner of the topographic patterns, and directed to grow as well-ordered hexagonally packed perpendicular cylinders. The growth rate for the confined microphase separation is highly dependent upon the dimension and also the geometric texture of the preformed pattern. Fast self-assembly for ordering of BCP thin film can be achieved by lowering the confinement dimension and also increasing the concern number of the preformed pattern, providing a new strategy for the design of BCP lithography from the integration of top-down and bottom-up approaches. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Modeling of helium bubble nucleation and growth in austenitic stainless steels using an Object Kinetic Monte Carlo method

    International Nuclear Information System (INIS)

    De Backer, A.; Adjanor, G.; Domain, C.; Lescoat, M.L.; Jublot-Leclerc, S.; Fortuna, F.; Gentils, A.; Ortiz, C.J.; Souidi, A.; Becquart, C.S.

    2015-01-01

    Implantation of 10 keV helium in 316L steel thin foils was performed in JANNuS-Orsay facility and modeled using a multiscale approach. Density Functional Theory (DFT) atomistic calculations [1] were used to obtain the properties of He and He-vacancy clusters, and the Binary Collision Approximation based code MARLOWE was applied to determine the damage and He-ion depth profiles as in [2,3]. The processes involved in the homogeneous He bubble nucleation and growth were defined and implemented in the Object Kinetic Monte Carlo code LAKIMOCA [4]. In particular as the He to dpa ratio was high, self-trapping of He clusters and the trap mutation of He-vacancy clusters had to be taken into account. With this multiscale approach, the formation of bubbles was modeled up to nanometer-scale size, where bubbles can be observed by Transmission Electron Microscopy. Their densities and sizes were studied as functions of fluence (up to 5 × 10 19 He/m 2 ) at two temperatures (473 and 723 K) and for different sample thicknesses (25–250 nm). It appears that the damage is not only due to the collision cascades but is also strongly controlled by the He accumulation in pressurized bubbles. Comparison with experimental data is discussed and sensible agreement is achieved

  20. Investigation of active biomolecules involved in the nucleation and growth of gold nanoparticles by Artocarpus heterophyllus Lam leaf extract

    Energy Technology Data Exchange (ETDEWEB)

    Jiang Xinde; Sun Daohua, E-mail: sdaohua@xmu.edu.cn; Zhang Genlei; He Ning; Liu Hongyu; Huang Jiale; Odoom-Wubah, Tareque; Li Qingbiao, E-mail: kelqb@xmu.edu.cn [Xiamen University, Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Chemical Biology (China)

    2013-06-15

    The effects of different biomolecules in Artocarpus heterophyllus Lam leaf extract on the morphology of obtained gold nanoparticles were investigated in this study. The results indicated that reducing sugars, flavones, and polyphenols consisting of about 79.8 % dry weight of the leaf extract were mainly involved in providing the dual function of reduction and the size/shape control during the biosynthesis. The gold nanoparticles present included 64 {+-} 10 nm nanospheres, 131 {+-} 18 nm nanoflowers, and 347 {+-} 136 nm (edge length) nanoplates and they were synthesized using the main content of reducing sugars, flavones, and polyphenols, respectively, after they were desorbed by the AB-8 macroporous adsorption resin column. Particularly, flower-like and triangular/hexagonal gold nanoparticles with a yield more than 80 % were obtained. Possible shape-directed agents for the nucleation and growth were characterized by FTIR, it can be seen that ketones were bound on the surface of the spherical and flower-like GNPs, while both the ketones and carbonyls bound on the Au {l_brace}111{r_brace} plane this may have favored the formation of the twin defects, which are very essential for nanoplates' formation.

  1. Investigation of active biomolecules involved in the nucleation and growth of gold nanoparticles by Artocarpus heterophyllus Lam leaf extract

    International Nuclear Information System (INIS)

    Jiang Xinde; Sun Daohua; Zhang Genlei; He Ning; Liu Hongyu; Huang Jiale; Odoom-Wubah, Tareque; Li Qingbiao

    2013-01-01

    The effects of different biomolecules in Artocarpus heterophyllus Lam leaf extract on the morphology of obtained gold nanoparticles were investigated in this study. The results indicated that reducing sugars, flavones, and polyphenols consisting of about 79.8 % dry weight of the leaf extract were mainly involved in providing the dual function of reduction and the size/shape control during the biosynthesis. The gold nanoparticles present included 64 ± 10 nm nanospheres, 131 ± 18 nm nanoflowers, and 347 ± 136 nm (edge length) nanoplates and they were synthesized using the main content of reducing sugars, flavones, and polyphenols, respectively, after they were desorbed by the AB-8 macroporous adsorption resin column. Particularly, flower-like and triangular/hexagonal gold nanoparticles with a yield more than 80 % were obtained. Possible shape-directed agents for the nucleation and growth were characterized by FTIR, it can be seen that ketones were bound on the surface of the spherical and flower-like GNPs, while both the ketones and carbonyls bound on the Au {111} plane this may have favored the formation of the twin defects, which are very essential for nanoplates’ formation.

  2. Modeling of helium bubble nucleation and growth in austenitic stainless steels using an Object Kinetic Monte Carlo method

    Energy Technology Data Exchange (ETDEWEB)

    De Backer, A., E-mail: andree.debacker@ccfe.ac.uk [UMET, UMR 8207, Université Lille 1, Villeneuve d’Ascq (France); CCFE, Culham Centre for Fusion Energy, Abingdon, Oxon (United Kingdom); Adjanor, G.; Domain, C.; Lescoat, M.L. [EDF R& D, MMC Centre des Renardières, Moret-sur-Loing (France); Jublot-Leclerc, S.; Fortuna, F.; Gentils, A. [CSNSM, Univ Paris-Sud, CNRS/IN2P3, Orsay (France); Ortiz, C.J. [CIEMAT, Laboratorio Nacional de Fusión por Confinamiento Magnético, Madrid (Spain); Souidi, A. [Université Dr. Tahar Moulay de Saida, Saida (Algeria); Becquart, C.S. [UMET, UMR 8207, Université Lille 1, Villeneuve d’Ascq (France)

    2015-06-01

    Implantation of 10 keV helium in 316L steel thin foils was performed in JANNuS-Orsay facility and modeled using a multiscale approach. Density Functional Theory (DFT) atomistic calculations [1] were used to obtain the properties of He and He-vacancy clusters, and the Binary Collision Approximation based code MARLOWE was applied to determine the damage and He-ion depth profiles as in [2,3]. The processes involved in the homogeneous He bubble nucleation and growth were defined and implemented in the Object Kinetic Monte Carlo code LAKIMOCA [4]. In particular as the He to dpa ratio was high, self-trapping of He clusters and the trap mutation of He-vacancy clusters had to be taken into account. With this multiscale approach, the formation of bubbles was modeled up to nanometer-scale size, where bubbles can be observed by Transmission Electron Microscopy. Their densities and sizes were studied as functions of fluence (up to 5 × 10{sup 19} He/m{sup 2}) at two temperatures (473 and 723 K) and for different sample thicknesses (25–250 nm). It appears that the damage is not only due to the collision cascades but is also strongly controlled by the He accumulation in pressurized bubbles. Comparison with experimental data is discussed and sensible agreement is achieved.

  3. Nucleation and growth of intermetallic precipitates in Zircaloy-2 and zircaloy-4 and correlation to nodular corrosion behavior

    International Nuclear Information System (INIS)

    Maussner, G.; Steinberg, E.; Tenckhoff, E.

    1987-01-01

    One of the fundamental aspects in the history of the development of zirconium alloys for nuclear applications is the corrosion behavior under in-pile conditions. In boiling-water reactors (BWRs) and pressurized-water reactors (PWRs) the zirconium alloys Zircaloy-2 and Zircaloy-4 are the most commonly used materials, permitting attainment of a very high level of integrity and reliability. Nevertheless, efforts are required to optimize these well-established alloys with regard to their resistance to nodular corrosion, where improvements will give long-term advantages in fuel integrity and fuel economy. Phenomenological studies allow correlation of the nodular corrosion behavior with the morphological appearance of precipitated intermetallic phases in the microstructures of Zry-2 and Zry-4. To understand the fundamental processes of precipitation, particle nucleation-and-growth studies were made with Zry-2 and Zry-4 in different fabrication dimensions and with variations in β-quenching rates followed by isothermal and isochronical heat treatments. The microstructural characteristics of the precipitates were investigated by optical and transmission-electron microscopy. The macroscopic behavior was studied by electrical-resistivity measurements and hardness measurements. The nodular-corrosion susceptibility was determined by weight-gain and nodule distribution measurements after a 500 0 C laboratory-autoclave test

  4. A classical density functional investigation of nucleation

    International Nuclear Information System (INIS)

    Ghosh, Satinath; Ghosh, Swapan K.

    2009-01-01

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

  5. Colloidal nanoparticle size control: experimental and kinetic modeling investigation of the ligand-metal binding role in controlling the nucleation and growth kinetics.

    Science.gov (United States)

    Mozaffari, Saeed; Li, Wenhui; Thompson, Coogan; Ivanov, Sergei; Seifert, Soenke; Lee, Byeongdu; Kovarik, Libor; Karim, Ayman M

    2017-09-21

    Despite the major advancements in colloidal metal nanoparticles synthesis, a quantitative mechanistic treatment of the ligand's role in controlling their size remains elusive. We report a methodology that combines in situ small angle X-ray scattering (SAXS) and kinetic modeling to quantitatively capture the role of ligand-metal binding (with the metal precursor and the nanoparticle surface) in controlling the synthesis kinetics. We demonstrate that accurate extraction of the kinetic rate constants requires using both, the size and number of particles obtained from in situ SAXS to decouple the contributions of particle nucleation and growth to the total metal reduction. Using Pd acetate and trioctylphosphine in different solvents, our results reveal that the binding of ligands with both the metal precursor and nanoparticle surface play a key role in controlling the rates of nucleation and growth and consequently the final size. We show that the solvent can affect the metal-ligand binding and consequently ligand coverage on the nanoparticles surface which has a strong effect on the growth rate and final size (1.4 nm in toluene and 4.3 nm in pyridine). The proposed kinetic model quantitatively predicts the effects of varying the metal concentration and ligand/metal ratio on nanoparticle size for our work and literature reports. More importantly, we demonstrate that the final size is exclusively determined by the nucleation and growth kinetics at early times and not how they change with time. Specifically, the nanoparticle size in this work and many literature reports can be predicted using a single, model independent kinetic descriptor, (growth-to-nucleation rate ratio) 1/3 , despite the different metals and synthetic conditions. The proposed model and kinetic descriptor could serve as powerful tools for the design of colloidal nanoparticles with specific sizes.

  6. Dimers in nucleating vapors

    Science.gov (United States)

    Lushnikov, A. A.; Kulmala, M.

    1998-09-01

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

  7. Anatomy of a metabentonite: nucleation and growth of illite crystals and their colescence into mixed-layer illite/smectite

    Science.gov (United States)

    Eberl, D.D.; Blum, A.E.; Serravezza, M.

    2011-01-01

    The illite layer content of mixed-layer illite/smectite (I/S) in a 2.5 m thick, zoned, metabentonite bed from Montana decreases regularly from the edges to the center of the bed. Traditional X-ray diffraction (XRD) pattern modeling using Markovian statistics indicated that this zonation results from a mixing in different proportions of smectite-rich R0 I/S and illite-rich R1 I/S, with each phase having a relatively constant illite layer content. However, a new method for modeling XRD patterns of I/S indicates that R0 and R1 I/S in these samples are not separate phases (in the mineralogical sense of the word), but that the samples are composed of illite crystals that have continuous distributions of crystal thicknesses, and of 1 nm thick smectite crystals. The shapes of these distributions indicate that the crystals were formed by simultaneous nucleation and growth. XRD patterns for R0 and R1 I/S arise by interparticle diffraction from a random stacking of the crystals, with swelling interlayers formed at interfaces between crystals from water or glycol that is sorbed on crystal surfaces. It is the thickness distributions of smectite and illite crystals (also termed fundamental particles, or Nadeau particles), rather than XRD patterns for mixed-layer I/S, that are the more reliable indicators of geologic history, because such distributions are composed of well-defined crystals that are not affected by differences in surface sorption and particle arrangements, and because their thickness distribution shapes conform to the predictions of crystal growth theory, which describes their genesis.

  8. Pressure-controlled nucleation and growth in Zr41Ti14Cu12.5Ni10Be22.5 bulk metallic glass close to and beyond glass transition temperature

    International Nuclear Information System (INIS)

    Pan Mingxiang; Yao Yushu; Zhao Deqian; Zhuang Yanxin; Wang Weihua

    2002-01-01

    By high-pressure annealing close to and beyond glass transition temperature, the behavior of nucleation and growth of crystals in Zr 41 Ti 14 Cu 12.5 Ni 10 Be 22.5 bulk metallic glass (BMG) is investigated. The experimental results indicate that exerting a high pressure during annealing can markedly decrease the nucleation temperature of the BMG. The growth rate of crystals first increases and then decreases with increase of annealing pressure. The effect of pressure on nucleation and growth of crystals is phenomenologically explained

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

    International Nuclear Information System (INIS)

    Wyslouzil, B.E.; Wilemski, G.

    1996-01-01

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

  10. On the Ice Nucleation Spectrum

    Science.gov (United States)

    Barahona, D.

    2012-01-01

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

  11. Understanding and control of nucleation, growth, habit, dissolution and structure of two- and three-dimensional crystals using 'Tailor-made' auxiliaries

    International Nuclear Information System (INIS)

    Weissbuch, I.; Popovitz-Biro, R.; Lahav, M.; Leiserowitz, L.

    1995-01-01

    Tailor-made auxiliaries for the control of nucleation and growth of molecular crystals may be classified into two broad categories: inhibitors and promoters. Tailor-made inhibitors of crystal growth can be used for a variety of purposes, which include morphological engineering and etching, reduction of crystal symmetry, assignment of absolute structure of chiral molecules and polar crystals, elucidation of the effect of solvent on crystal growth, and crystallization of a desired polymorph. As for crystal growth promoters, monolayers of amphiphilic molecules on water have been used to induce the growth of a variety of three-dimensional crystals at the monolayer-solution interface by means of structural match, molecular complementarity or electrostatic interaction. A particular focus is made on the induced nucleation of ice by monolayers of water-insoluble aliphatic alcohols. The two-dimensional crystalline structures of such monolayers have been studied by grazing incidence X-ray diffraction. It has become possible to monitor, by this method, the growth, dissolution and structure of self-aggregated crystalline monolayers, and indeed multilayers, affected by the interaction of solvent molecules in the aqueous subphase with the amphiphilic headgroups, and by the use of tailor-made amphiphilic additives. (orig.)

  12. Nucleation and growth kinetics of electrodeposited sulfate-doped polypyrrole: determination of the diffusion coefficient of SO(4)(2-) in the polymeric membrane.

    Science.gov (United States)

    Licona-Sánchez, T de J; Alvarez-Romero, G A; Mendoza-Huizar, L H; Galán-Vidal, C A; Palomar-Pardavé, M; Romero-Romo, M; Herrera-Hernández, H; Uruchurtu, J; Juárez-García, J M

    2010-08-05

    A kinetic study for the electrosynthesis of polypyrrole (Ppy) doped with SO(4)(2-) ions is presented. Ppy films were electrochemically polymerized onto a graphite-epoxy resin electrode. Experimental current density transients (j-t) were obtained for three different potentiometric behaviors: anionic, cationic, and a combination. Theoretical models were used to fit the experimental j-t data to determine the nucleation and growth processes controlling the polymer synthesis. It was encountered that, in all cases, pyrrole electropolimerization involves two concomitant processes, namely, a Ppy diffusion limited multiple 3D nucleation and growth and pyrrole electro-oxidation on the growing surface of the Ppy nuclei. SEM analysis of the electrodes surfaces reveals that Ppy deposition occurred over most of the electrode surface by multiple nucleation of hemispheres, as the theoretical model used for the analysis of the current transients required. Hemispherical particles formed the polymeric film displaying different sizes. The order for the particle size was as follows: anionic > anionic-cationic > cationic. These results are congruent with those obtained by theoretical analysis of the corresponding current transients. Analysis of the impedance measurements recorded on the anionic Ppy film, immersed in an aqueous solution with different sulfate ion concentrations evidenced that SO(4)(2-) ions diffuse through the Ppy film provoking a decrease of its electrical resistance and an increase of its dielectric constant. From the Warburg impedance coefficient, the sulfate coefficient of diffusion in the Ppy film was 1.38 x 10(-9) cm(2) s(-1).

  13. Numeric implementation of a nucleation, growth and transport model for helium bubbles in lead-lithium HCLL breeding blanket channels: Theory and code development

    Energy Technology Data Exchange (ETDEWEB)

    Batet, L., E-mail: lluis.batet@upc.edu [Technical University of Catalonia (UPC), Energy and Radiation Studies Research Group (GREENER), Technology for Fusion T4F, Barcelona (Spain); UPC, Department of Physics and Nuclear Engineering (DFEN), ETSEIB, Av. Diagonal 647, 08028 Barcelona (Spain); Fradera, J. [Technical University of Catalonia (UPC), Energy and Radiation Studies Research Group (GREENER), Technology for Fusion T4F, Barcelona (Spain); UPC, Department of Physics and Nuclear Engineering (DFEN), ETSEIB, Av. Diagonal 647, 08028 Barcelona (Spain); Valls, E. Mas de les [Technical University of Catalonia (UPC), Energy and Radiation Studies Research Group (GREENER), Technology for Fusion T4F, Barcelona (Spain); UPC, Department of Heat Engines (DMMT), ETSEIB, Av. Diagonal 647, 08028 Barcelona (Spain); Sedano, L.A. [EURATOM-CIEMAT Association, Fusion Technology Division, Av. Complutense 22, 28040 Madrid (Spain)

    2011-06-15

    Large helium (He) production rates in liquid metal breeding blankets of a DT fusion reactor might have a significant influence in the system design. Low He solubility together with high local concentrations may create the conditions for He cavitation, which would have an impact in the components performance. The paper states that such a possibility is not remote in a helium cooled lithium-lead breeding blanket design. A model based on the Classical Nucleation Theory (CNT) has been developed and implemented in order to have a specific tool able to simulate HCLL systems and identify the key parameters and sensitivities. The nucleation and growth model has been implemented in the open source CFD code OpenFOAM so that transport of dissolved atomic He and nucleated He bubbles can be simulated. At the current level of development it is assumed that void fraction is small enough not to affect either the hydrodynamics or the properties of the liquid metal; thus, bubbles can be represented by means of a passive scalar. He growth and transport has been implemented using the mean radius approach in order to save computational time. Limitations and capabilities of the model are shown by means of zero-dimensional simulation and sensitivity analysis under HCLL breeding unit conditions.

  14. Template-directed nucleation and growth of CdS nanocrystal: the role of helical and nonhelical nanofibers on their shape and size

    International Nuclear Information System (INIS)

    Bose, Partha Pratim; Banerjee, Arindam

    2010-01-01

    This study describes the use of chiral nature of synthetic self-assembled nanofibers for nucleation and growth of Cadmium sulfide (CdS) nanocrystals with different sizes and shapes in room temperature. The templates are built by immobilizing a peptide capping agent on the surface of synthetic self-assembled helical or nonhelical nanofibers and CdS nanocrystals were allowed to grow on them. It is observed that there are differences in shapes and sizes of the nanocrystals depending on the chiral nature of the nanofibers on which they were growing. Even the CdS nanocrystals grown on different chiral and achiral nanofibers differ markedly in their photoluminescence properties. Thus, here we introduce a new way of using chirality of nanofibers to nucleate and grow CdS nanocrystals of different shape, size, and optical property.

  15. Diamond nucleation by carbon transport from buried nanodiamond TiO.sub.2./sub. sol-gel composites

    Czech Academy of Sciences Publication Activity Database

    Daenen, M.; Zhang, L.; Erni, R.; Williams, O.A.; Hardy, A.; Van Bael, M.K.; Wagner, P.; Haenen, K.; Nesládek, Miloš; van Tendeloo, G.

    2009-01-01

    Roč. 21, č. 6 (2009), s. 670-673 ISSN 0935-9648 Institutional research plan: CEZ:AV0Z10100520 Keywords : diamond nucleation * nanodiamond * TiO 2 sol-gel omposites Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 8.379, year: 2009

  16. Effects of AlN nucleation layers on the growth of AlN films using high temperature hydride vapor phase epitaxy

    International Nuclear Information System (INIS)

    Balaji, M.; Claudel, A.; Fellmann, V.; Gélard, I.; Blanquet, E.; Boichot, R.; Pierret, A.

    2012-01-01

    Highlights: ► Growth of AlN Nucleation layers and its effect on high temperature AlN films quality were investigated. ► AlN nucleation layers stabilizes the epitaxial growth of AlN and improves the surface morphology of AlN films. ► Increasing growth temperature of AlN NLs as well as AlN films improves the structural quality and limits the formation of cracks. - Abstract: AlN layers were grown on c-plane sapphire substrates with AlN nucleation layers (NLs) using high temperature hydride vapor phase epitaxy (HT-HVPE). Insertion of low temperature NLs, as those typically used in MOVPE process, prior to the high temperature AlN (HT-AlN) layers has been investigated. The NLs surface morphology was studied by atomic force microscopy (AFM) and NLs thickness was measured by X-ray reflectivity. Increasing nucleation layer deposition temperature from 650 to 850 °C has been found to promote the growth of c-oriented epitaxial HT-AlN layers instead of polycrystalline layers. The growth of polycrystalline layers has been related to the formation of dis-oriented crystallites. The density of such disoriented crystallites has been found to decrease while increasing NLs deposition temperature. The HT-AlN layers have been characterized by X-ray diffraction θ − 2θ scan and (0 0 0 2) rocking curve measurement, Raman and photoluminescence spectroscopies, AFM and field emission scanning electron microscopy. Increasing the growth temperature of HT-AlN layers from 1200 to 1400 °C using a NL grown at 850 °C improves the structural quality as well as the surface morphology. As a matter of fact, full-width at half-maximum (FWHM) of 0 0 0 2 reflections was improved from 1900 to 864 arcsec for 1200 °C and 1400 °C, respectively. Related RMS roughness also found to decrease from 10 to 5.6 nm.

  17. Heterogeneous nucleation of calcium oxalate on native oxide surfaces

    International Nuclear Information System (INIS)

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

    1994-04-01

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

  18. A dynamical theory of nucleation

    Science.gov (United States)

    Lutsko, James F.

    2013-05-01

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

  19. One-pot nucleation, growth, morphogenesis, and passivation of 1.4 nm Au nanoparticles on self-assembled rosette nanotubes.

    Science.gov (United States)

    Chhabra, Rahul; Moralez, Jesus G; Raez, Jose; Yamazaki, Takeshi; Cho, Jae-Young; Myles, Andrew J; Kovalenko, Andriy; Fenniri, Hicham

    2010-01-13

    A one-pot strategy for the nucleation, growth, morphogenesis, and passivation of 1.4 nm Au nanoparticles (NPs) on self-assembled rosette nanotubes (RNTs) is described. Tapping-mode atomic force microscopy, transmission electron microscopy, energy-dispersive X-ray analysis, and selected-area electron diffraction were used to establish the structure and organization of this hybrid material. Notably, we found that the Au NPs formed were nearly monodisperse clusters of Au(55) (1.4-1.5 nm) nestled in pockets on the RNT surface.

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

    Directory of Open Access Journals (Sweden)

    Chii-Ruey Lin

    2014-01-01

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

  1. Nanometer-scale mapping of irreversible electrochemical nucleation processes on solid Li-ion electrolytes

    Science.gov (United States)

    Kumar, Amit; Arruda, Thomas M.; Tselev, Alexander; Ivanov, Ilia N.; Lawton, Jamie S.; Zawodzinski, Thomas A.; Butyaev, Oleg; Zayats, Sergey; Jesse, Stephen; Kalinin, Sergei V.

    2013-01-01

    Electrochemical processes associated with changes in structure, connectivity or composition typically proceed via new phase nucleation with subsequent growth of nuclei. Understanding and controlling reactions requires the elucidation and control of nucleation mechanisms. However, factors controlling nucleation kinetics, including the interplay between local mechanical conditions, microstructure and local ionic profile remain inaccessible. Furthermore, the tendency of current probing techniques to interfere with the original microstructure prevents a systematic evaluation of the correlation between the microstructure and local electrochemical reactivity. In this work, the spatial variability of irreversible nucleation processes of Li on a Li-ion conductive glass-ceramics surface is studied with ~30 nm resolution. An increased nucleation rate at the boundaries between the crystalline AlPO4 phase and amorphous matrix is observed and attributed to Li segregation. This study opens a pathway for probing mechanisms at the level of single structural defects and elucidation of electrochemical activities in nanoscale volumes. PMID:23563856

  2. Nucleation, growth and habit modification of n-alkanes and homologous mixtures in the absence and presence of flow improving additives

    International Nuclear Information System (INIS)

    Taggart, Audrey M.

    1996-01-01

    A detailed study has been performed on the nucleation, growth and habit modification of n-alkanes and homologous mixtures in the absence and presence of flow improving additives in an attempt to gain a clearer appreciation of the interaction mechanisms behind wax / additive crystallisation. Kinetic and structural assessment of melt phase n-alkanes illustrate the different crystallographic forms present within the homologous series. Studies demonstrate the alternating behaviour of the even and odd numbered homologues which converges as a function of increasing molecular weight. Greater crystal lattice stabilities were found for those n-alkanes which have an even carbon number and which crystallise into the triclinic crystal structure. Solid state phase behaviour of the n-alkanes was found to vary depending on the number and parity of n. Nucleation kinetic studies of n-alkanes and homologous mixtures from model diesel fuel solvents (dodecane, m-xylene, decalin, pristane and a dewaxed fuel) are assessed using turbidity as the method of crystallite detection. Saturation temperatures are found to be related to both alkane structure and molecular chain length for all solvent systems. N-alkane solubilities are lower for n-alkane like solvents. The width of the meta stable zone varies as a function of solvent in order of dodecane ≅ pristane 19 H 40 and solvent m-xylene. Wax precipitation from distillate fuels in the presence of flow improving additives (di-alkyl di-amino xylene, phthalic acid and sulphobenzene acid derivatives and high molecular weight polymers) reveal responsive wax crystal nucleator and growth inhibitor additives. The crystal morphology of heptacosane, C 27 H 56 to simulate a model wax crystal is assessed in addition to its response to blocker 'tailor made' additives: methyl substituted C 27 H 56 and di-alkyl substituted phenyl additives [additive (A) and (B)]. Pure C 27 H 56 reveals a thin lozenge shaped platelet. All additives studied induce growth

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

    Science.gov (United States)

    Nudelman, Fabio

    2015-10-01

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

  4. Nucleation and crystallization behaviors of nano-crystalline lithium–mica glass–ceramic prepared via sol–gel method

    Energy Technology Data Exchange (ETDEWEB)

    Tohidifar, M.R. [Department of Materials Science and Engineering, Tarbiat Modares University, P.O. Box 14115-143, Tehran (Iran, Islamic Republic of); Alizadeh, P., E-mail: p-alizadeh@modares.ac.ir [Department of Materials Science and Engineering, Tarbiat Modares University, P.O. Box 14115-143, Tehran (Iran, Islamic Republic of); Riello, P. [Department of Molecular Sciences and Nanosystems, University of Ca’Foscari, Venice (Italy)

    2012-06-15

    Graphical abstract: The effects of nucleation and crystallization treatments on nano-crystalline lithium–mica glass–ceramic, synthesized by sol–gel technique, were investigated. It was found that MgF{sub 2} crystals act as nuclei centers for the mica crystallization so that a large quantity of mica crystallites was obtained following nucleation process. The crystallization activation energy for both the un-nucleated and nucleated samples was measured as 400.2 and 229.6 kJ mol{sup −1}, respectively. The calculated Avrami exponents demonstrated that the growth mechanism of mica crystallites changes from the needle-like to three-dimensional growth with applying the appropriate nucleation treatment ▪. Highlights: ► Crystallization temperature shifts to 625 from 680 °C following nucleation process. ► Activation energy of crystallization for the nucleated specimen is 229.6 kJ mol{sup −1}. ► Crystallization activation energy for the un-nucleated specimen is 400.2 kJ mol{sup −1}. ► Needle-like growth is predominant growth mechanism for un-nucleated sample. ► Three-dimensional growth is predominant growth mechanism for nucleated sample. -- Abstract: The paper investigates the effects of nucleation and crystallization treatments on nano-crystalline lithium–mica glass–ceramics, taking the composition LiMg{sub 3}AlSi{sub 3(1+x)}O{sub 10+6x}F{sub 2} (x = 0.5) and 8 mass% MgF{sub 2} synthesized by sol–gel technique. Here, X-ray diffraction, thermal analysis and transmission electron microscopy were used to assess the structural evolutions of as-synthesized nano-crystalline lithium–mica glass–ceramics. It was found that MgF{sub 2} crystals perform as nuclei centers for the mica crystallization hence; a large quantity of mica crystallites obtained following the nucleation process at 400 °C for 12 h. For both the un-nucleated and nucleated samples, the crystallization activation energy was measured as 400.2 and 229.6 kJ mol{sup −1

  5. Effect of aqueous Si/Mg ratio and pH on the nucleation and growth of sepiolite at 25 °C

    Science.gov (United States)

    Baldermann, Andre; Mavromatis, Vasileios; Frick, Paula M.; Dietzel, Martin

    2018-04-01

    Sepiolite [Mg4Si6O15(OH)2·6H2O] is a trioctahedral 2:1 Mg-silicate that has been often used to reconstruct the evolution of sedimentary environments and facies in the geological record. To date, however, the reaction paths underlying sepiolite formation are poorly constrained and most of the existing models are based on empirical observations. In order to shed light on the mechanisms controlling the formation of this mineral phase, in the present study, sepiolite was precipitated at 25 ± 1 °C from modified seawater and MgCl2 solutions undersaturated with respect to brucite and amorphous silica. Although a suite of hydrous Mg-silicates, such as kerolite, saponite, stevensite and talc, were oversaturated in the solutions at a higher level relative to sepiolite at any time of reaction, poorly crystallized, aluminous sepiolite was the only precipitate after 91 days. The precipitated sepiolite [Mg3.4-3.8Al0.1-0.4)∑3.8-3.9(Si5.9-6.0Al0-0.1)O15(OH)2·nH2O] shares a number of structural and chemical similarities with natural sepiolite, such as a fibrous crystal shape and an atomic Si/(Si + Mg+Al) ratio of ∼0.61. The proposed reaction path for the formation of sepiolite is based on the temporal evolution of the chemical compositions of the experimental solution and solids: (i) Nucleation and growth of Al-sepiolite occurred during the first 8 days of the experimental runs via condensation and polymerization of Sisbnd OH tetrahedra onto Mg-Al-O-OH template sheets at a precipitation rate of ∼2.19 ± 0.01 × 10-10 mol s-1. (ii) At decreasing pH and in the absence of [Al]aq this intermediate phase transformed into aluminous sepiolite at a slower crystal growth rate of ∼1.08 ± 0.02 × 10-12 mol s-1. This finding explains the high abundances of sepiolite in highly alkaline, evaporitic, lacustrine and soil environments, where the growth rates of sepiolite are considered faster (10-11 to 10-10 mol s-1, Brady, 1992). We propose that (i) low rates of Mg2+ ion dehydration

  6. Structuring effects in binary nucleation : Molecular dynamics simulatons and coarse-grained nucleation theory

    NARCIS (Netherlands)

    Braun, S.; Kraska, T.; Kalikmanov, V.I.

    2013-01-01

    Binary clusters formed by vapor-liquid nucleation are frequently nonhomogeneous objects in which components are not well mixed. The structure of a cluster plays an important role in nucleation and cluster growth. We demonstrate structuring effects by studying high-pressure nucleation and cluster

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

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

    CERN Document Server

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

    2016-01-01

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

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

    Science.gov (United States)

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

    2015-05-01

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

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

    International Nuclear Information System (INIS)

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

    1998-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-12-31

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-12-31

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

  13. Delamination Growth in Composites under Fatigue Loading

    NARCIS (Netherlands)

    Khan, R.

    2013-01-01

    Fiber reinforced composites are attractive for aerospace applications due to high specific strength and stiffness. Their use has been gradually increased to 50% by weight of the aircraft over past decades. As a consequence, modern aircraft utilize composites in the primary structures like wing skin

  14. Growth and Body Composition of School-Aged Children

    DEFF Research Database (Denmark)

    Dalskov, Stine-Mathilde

    growth or remodeling. Seasonal variations in growth and changes in body composition, if present, are of interest when trying to understand the regulation of growth. They may also be important to be aware of when assessing growth and body composition during shorter periods of time. The overall aim...... of this thesis was to identify factors influencing or associated with growth and body composition of 8-11 year old children. Four specific research questions were specified: 1.) Does a school meal intervention based on the New Nordic Diet (NND) influence height, body mass index (BMI) z-score, waist circumference...... school meals based on a NND for three months and for another three months they ate packed lunch brought from home (control). At baseline, between the two dietary periods, and after the last dietary period children went through a number of investigations. In paper I we showed that ad libitum school meals...

  15. Body Composition Growth Patterns in Early Infancy

    DEFF Research Database (Denmark)

    Andersen, Gregers Stig; Wibaek, Rasmus; Kaestel, Pernille

    2018-01-01

    OBJECTIVE: The objective of this study was to identify subgroups with distinct fat and fat-free growth patterns in the first 6 months of life and describe predictors of these different patterns. METHODS: A total of 510 apparently healthy Ethiopian infants were followed from birth to 6 months of a...... in regular anthropometric assessment and could be a mechanism linking early growth with later obesity and cardiometabolic risk....

  16. The influence of growth temperature and input V/III ratio on the initial nucleation and material properties of InN on GaN by MOCVD

    International Nuclear Information System (INIS)

    Wang, H; Jiang, D S; Zhu, J J; Zhao, D G; Liu, Z S; Wang, Y T; Zhang, S M; Yang, H

    2009-01-01

    The effects of growth temperature and V/III ratio on the InN initial nucleation of islands on the GaN (0 0 0 1) surface were investigated. It is found that InN nuclei density increases with decreasing growth temperature between 375 and 525 °C. At lower growth temperatures, InN thin films take the form of small and closely packed islands with diameters of less than 100 nm, whereas at elevated temperatures the InN islands can grow larger and well separated, approaching an equilibrium hexagonal shape due to enhanced surface diffusion of adatoms. At a given growth temperature of 500 °C, a controllable density and size of separated InN islands can be achieved by adjusting the V/III ratio. The larger islands lead to fewer defects when they are coalesced. Comparatively, the electrical properties of the films grown under higher V/III ratio are improved

  17. Scan-rate and vacuum pressure dependence of the nucleation and growth dynamics in a spin-crossover single crystal: the role of latent heat.

    Science.gov (United States)

    Ridier, Karl; Rat, Sylvain; Salmon, Lionel; Nicolazzi, William; Molnár, Gábor; Bousseksou, Azzedine

    2018-04-04

    Using optical microscopy we studied the vacuum pressure dependence (0.1-1000 mbar) of the nucleation and growth dynamics of the thermally induced first-order spin transition in a single crystal of the spin-crossover compound [Fe(HB(tz)3)2] (tz = 1,2,4-triazol-1-yl). A crossover between a quasi-static hysteresis regime and a temperature-scan-rate-dependent kinetic regime is evidenced around 5 mbar due to the change of the heat exchange coupling between the crystal and its external environment. Remarkably, the absorption/dissipation rate of latent heat was identified as the key factor limiting the switching speed of the crystal.

  18. Thermodynamic and Dynamic Aspects of Ice Nucleation

    Science.gov (United States)

    Barahona, Donifan

    2018-01-01

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

  19. Improving subcritical crack growth resistance for alumina glass dental composite

    NARCIS (Netherlands)

    Zhu, Q.; With, de G.

    2005-01-01

    The improvement of subcritical crack growth (SCG) resistance for alumina glass dental composites was explored in this study. The addition of nitrogen to the glass phases in the composite was found to increase the SCG resistance, where the SCG exponent n increases from 22 for the oxide glass

  20. Microstructure and refinement performance of Al-Ti-C master alloy: Effect of excess Ti on the growth and nucleating ability of TiC particles

    Science.gov (United States)

    Svynarenko, Kateryna; Zhang, Yubo; Jie, Jinchuan; Kutsova, Valentyna; Li, Tingju

    2017-09-01

    Al-5Ti-0.2C, Al-0.8Ti-0.2C, Al-8Ti-2C, and Al-10Ti master alloys were prepared and used to investigate the influence of excess Ti on the growth of TiC particles and its ability to nucleate Al-grains. The results of a microstructure analysis of TiC-containing alloys and refined CPAl were interrelated to the results of a refinement test. It was found that the presence of excess Ti is essential at the stage of master alloy preparation, as it facilitates the growth and uniform distribution of TiC within the structure. In Al-5Ti-0.2C alloy containing excess Ti, carbide particles grow faster and to a higher extent (from 0.29 μm to 0.44 μm) compared to Al-0.8Ti-0.2C alloy produced without excess Ti (from 0.29 μm to 0.32 μm). The results support the "Ti-transition zone theory" as the mechanism of grain refinement by TiC-containing master alloys. The refinement performance of Al-5Ti-0.2C is superior compared to the one achieved by adding Al-8Ti-2C and Al-10Ti master alloys in corresponding concentrations. For the TiC particles to become favourable nucleating sites, they must undergo certain interaction with excess Ti at the stage of master alloy preparation.

  1. Truncated Dual-Cap Nucleation Site Development

    Science.gov (United States)

    Matson, Douglas M.; Sander, Paul J.

    2012-01-01

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

  2. The Variance Composition of Firm Growth Rates

    Directory of Open Access Journals (Sweden)

    Luiz Artur Ledur Brito

    2009-04-01

    Full Text Available Firms exhibit a wide variability in growth rates. This can be seen as another manifestation of the fact that firms are different from one another in several respects. This study investigated this variability using the variance components technique previously used to decompose the variance of financial performance. The main source of variation in growth rates, responsible for more than 40% of total variance, corresponds to individual, idiosyncratic firm aspects and not to industry, country, or macroeconomic conditions prevailing in specific years. Firm growth, similar to financial performance, is mostly unique to specific firms and not an industry or country related phenomenon. This finding also justifies using growth as an alternative outcome of superior firm resources and as a complementary dimension of competitive advantage. This also links this research with the resource-based view of strategy. Country was the second source of variation with around 10% of total variance. The analysis was done using the Compustat Global database with 80,320 observations, comprising 13,221 companies in 47 countries, covering the years of 1994 to 2002. It also compared the variance structure of growth to the variance structure of financial performance in the same sample.

  3. Growth behaviors and biocidal properties of titanium dioxide films depending on nucleation duration in liquid phase deposition

    Science.gov (United States)

    Park, Sohyeon; Park, Joohee; Heo, Jiwoong; Hong, Bo Young; Hong, Jinkee

    2017-12-01

    Liquid phase deposition (LPD), which is a method to directly form a titanium dioxide (TiO2) film on a substrate, is the most practical method for applying TiO2 films to medical devices because it is performed at lower temperatures than other methods. The TiO2 films to be applied to medical devices should offer excellent antibacterial effect, but should be stable to normal cells and have appropriate strength. In this research, we observed that the size, shape, and density of TiO2 particles varied with the nucleation duration in LPD and confirmed that these results caused changes in several properties including the mechanical properties, cytotoxicity and antibacterial effect of TiO2 films. From the analysis of these results, we established the conditions for the preparation of TiO2 films that are suitable for medical devices and suggest a new approach to the study of TiO2 films prepared by LPD.

  4. Effects of Grain Boundaries and Dislocation Cell Walls on Void Nucleation and Growth in Aluminium during Fast Neutron Irradiation

    DEFF Research Database (Denmark)

    Horsewell, Andy; Rahman, F. A.; Singh, Bachu Narain

    1983-01-01

    and growth occurs in a zone extending up to 10 mu m from grain boundaries in annealed material. In polygonized material, the presence of dislocation cell walls leads to cell size dependent void formation and growth; the swelling rate in the large cells is substantially higher than in the annealed material....

  5. Dynamics of homogeneous nucleation

    DEFF Research Database (Denmark)

    Toxværd, Søren

    2015-01-01

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

  6. Biomimetic growth and substrate dependent mechanical properties of bone like apatite nucleated on Ti and magnetron sputtered TiO2 nanostructure

    Science.gov (United States)

    Sarma, Bimal K.; Das, Apurba; Barman, Pintu; Pal, Arup R.

    2016-04-01

    This report presents findings on biomimetic growth of hydroxyapatite (HAp) nanocrystals on Ti and sputtered TiO2 substrates. The possibility of TiO2 nanostructure as candidate materials for future biomedical applications has been explored through the comparison of microstructural and mechanical properties of bone like apatite grown on Ti and nano-TiO2 surfaces. Raman spectroscopy and x-ray diffraction studies reveal formation of carbonate apatite with apparent domain size in the nanoscale range. A better interaction at the nano-TiO2/nano-HAp interface due to higher interfacial area could promote the growth of bone like apatite. The crystal phases, crystallinity, and surface morphology of nano-TiO2 are considered as parameters to understand the nucleation and growth of apatite with different mechanical properties at the nanoscale. The methodology of x-ray line profile analysis encompasses deconvolution of merged peaks by preserving broadening due to nanosized HAp aggregates. The Young’s modulus of bone like apatite exhibits crystallographic directional dependence which suggests the presence of elastic anisotropy in bone like apatite. The lattice contraction in the c-direction is associated with the degree of carbonate substitution in the apatite lattice. The role of residual stress is critical for the lattice distortion of HAp deposited at physiological conditions of temperature and pH of human blood plasma. The ion concentration is crucial for the uniformity, crystallinity, and mechanical behaviour of the apatite.

  7. Biomimetic growth and substrate dependent mechanical properties of bone like apatite nucleated on Ti and magnetron sputtered TiO2 nanostructure

    International Nuclear Information System (INIS)

    Sarma, Bimal K; Das, Apurba; Barman, Pintu; Pal, Arup R

    2016-01-01

    This report presents findings on biomimetic growth of hydroxyapatite (HAp) nanocrystals on Ti and sputtered TiO 2 substrates. The possibility of TiO 2 nanostructure as candidate materials for future biomedical applications has been explored through the comparison of microstructural and mechanical properties of bone like apatite grown on Ti and nano-TiO 2 surfaces. Raman spectroscopy and x-ray diffraction studies reveal formation of carbonate apatite with apparent domain size in the nanoscale range. A better interaction at the nano-TiO 2 /nano-HAp interface due to higher interfacial area could promote the growth of bone like apatite. The crystal phases, crystallinity, and surface morphology of nano-TiO 2 are considered as parameters to understand the nucleation and growth of apatite with different mechanical properties at the nanoscale. The methodology of x-ray line profile analysis encompasses deconvolution of merged peaks by preserving broadening due to nanosized HAp aggregates. The Young’s modulus of bone like apatite exhibits crystallographic directional dependence which suggests the presence of elastic anisotropy in bone like apatite. The lattice contraction in the c-direction is associated with the degree of carbonate substitution in the apatite lattice. The role of residual stress is critical for the lattice distortion of HAp deposited at physiological conditions of temperature and pH of human blood plasma. The ion concentration is crucial for the uniformity, crystallinity, and mechanical behaviour of the apatite. (paper)

  8. Effect of Al/N ratio during nucleation layer growth on Hall mobility and buffer leakage of molecular-beam epitaxy grown AlGaN/GaN heterostructures

    International Nuclear Information System (INIS)

    Storm, D.F.; Katzer, D.S.; Binari, S.C.; Shanabrook, B.V.; Zhou Lin; Smith, David J.

    2004-01-01

    AlGaN/GaN high electron mobility transistor structures have been grown by plasma-assisted molecular beam epitaxy on semi-insulating 4H-SiC utilizing an AlN nucleation layer. The electron Hall mobility of these structures increases from 1050 cm 2 /V s to greater than 1450 cm 2 /V s when the Al/N flux ratio during the growth of the nucleation layer is increased from 0.90 to 1.07. Buffer leakage currents increase abruptly by nearly three orders of magnitude when the Al/N ratio increases from below to above unity. Transmission electron microscopy indicates that high buffer leakage is correlated with the presence of stacking faults in the nucleation layer and cubic phase GaN in the buffer, while low mobilities are correlated with high dislocation densities

  9. Turning “on” and “off” nucleation and growth: Microwave assisted synthesis of CdS clusters and nanoparticles

    International Nuclear Information System (INIS)

    Ferrer, Edmy; Nater, Sariann; Rivera, Daniel; Colon, Jean Marie; Zayas, Francisco; Gonzalez, Miguel; Castro, Miguel E.

    2012-01-01

    Graphical abstract: Display Omitted Highlights: ► Cadmium acetate and DMSO were employed as ion precursors. ► New approach to controlled CdS nanoparticle synthesis. ► CdS clusters and nanoparticles synthesis achieved using microwave irradiation. ► Microwave irradiation turns on and off nanoparticle growth. ► The formation of clusters, embryos and nanoparticles studied with optical spectroscopy. -- Abstract: We report here on the formation of CdS NP from the microwave assisted reaction of Cd(CH 3 CO 2 ) 2 with dimethylsulfoxide (DMSO). DMSO serves as the solvent and a controlled source of sulfide ions to form (CdS) 1≤n≤5 clusters at the early stages of the process. The clusters grow into CdS nanoparticles, with diameters that range from 1.6 nm up to over 250 nm, with microwave heating. The time dependence of the onset of light absorption and absorbance are consistent with a concurrent nucleation and growth processes. The formation of clusters and nuclei and their subsequent reactions is controlled by turning on and off the energy supply consistent with an energy barrier to the formation of CdS nanostructures.

  10. Turning “on” and “off” nucleation and growth: Microwave assisted synthesis of CdS clusters and nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ferrer, Edmy; Nater, Sariann; Rivera, Daniel; Colon, Jean Marie; Zayas, Francisco; Gonzalez, Miguel [Chemical Imaging Center, Department of Chemistry, The University of Puerto Rico at Mayaguez, Mayaguez, PR 00680 (United States); Castro, Miguel E., E-mail: miguel.castro2@upr.edu [Chemical Imaging Center, Department of Chemistry, The University of Puerto Rico at Mayaguez, Mayaguez, PR 00680 (United States)

    2012-11-15

    Graphical abstract: Display Omitted Highlights: ► Cadmium acetate and DMSO were employed as ion precursors. ► New approach to controlled CdS nanoparticle synthesis. ► CdS clusters and nanoparticles synthesis achieved using microwave irradiation. ► Microwave irradiation turns on and off nanoparticle growth. ► The formation of clusters, embryos and nanoparticles studied with optical spectroscopy. -- Abstract: We report here on the formation of CdS NP from the microwave assisted reaction of Cd(CH{sub 3}CO{sub 2}){sub 2} with dimethylsulfoxide (DMSO). DMSO serves as the solvent and a controlled source of sulfide ions to form (CdS){sub 1≤n≤5} clusters at the early stages of the process. The clusters grow into CdS nanoparticles, with diameters that range from 1.6 nm up to over 250 nm, with microwave heating. The time dependence of the onset of light absorption and absorbance are consistent with a concurrent nucleation and growth processes. The formation of clusters and nuclei and their subsequent reactions is controlled by turning on and off the energy supply consistent with an energy barrier to the formation of CdS nanostructures.

  11. Hierarchical structures and phase nucleation and growth during pressure-induced crystallization of polypropylene containing dispersion of nanoclay: The impact on physical and mechanical properties

    International Nuclear Information System (INIS)

    Misra, R.D.K.; Yuan, Q.; Chen, J.; Yang, Y.

    2010-01-01

    The objective of this study is to describe the evolution of structure and phases during pressure-induced crystallization of polymers containing dispersion of nanoparticles, in the pressure range of 0.1-200 MPa. The model material for nanoparticles is nanoclay and the model polymer is polypropylene, which can potentially form several crystalline phases. While the phase selection in polypropylene is dictated by pressure and temperature, however, the introduction of nanoparticles alters the nucleation and growth of phases via nanoparticle interface driven evolution. To delineate and separate the effects of applied crystallization pressure from nanoparticle effects, a relative comparison is made between neat polypropylene and polypropylene containing dispersion of nanoclay under similar experimental conditions. The significant finding is that nanoclay interacts with the host polypropylene in a manner such that it alters the structural morphology of α- and γ-crystals of polypropylene. Furthermore, nanoclay promotes the formation of γ-phase at ambient pressure suggesting its role as structure and morphology director in the stabilization of the less accessible γ-phase, and with the possibility of epitaxial growth that enhances toughness. The equilibrium melting point measurements point to thermodynamic interaction between nanoclay and polypropylene, which is supported by the change in glass transition temperature. Thus, the two components, nanoclay and pressure, together provide a unique opportunity to tune hierarchical structures and phase evolution, which has significant implication on physico-chemical and mechanical properties.

  12. Effects of displacement damage and helium production rates on the nucleation and growth of helium bubbles - Positron annihilation spectroscopy aspects

    Science.gov (United States)

    Krsjak, Vladimir; Degmova, Jarmila; Sojak, Stanislav; Slugen, Vladimir

    2018-02-01

    Fe-12 wt% Cr model alloy samples were implanted by 250 keV He2+ ions to three different fluencies (3 × 1017, 9 × 1017 and 1.5 × 1018 cm-2) at T steel samples [1] irradiated in the frame of a two-years irradiation program of the Swiss Spallation Neutron Source. Bi-modal defect distribution represented by two defect components in positron lifetime spectrum reveals two distinct helium bubbles growth mechanisms. While at the lower helium production rate of the spallation environment, the bubbles grow primarily by migration and coalescence, at the high production rates of helium in the implanted samples, the results indicate this growth is driven by Ostwald ripening mechanism. A competitive growth process via emission of interstitial atoms (clusters) is discussed in terms of low-temperature He implantations.

  13. Growth Termination and Multiple Nucleation of Single-Wall Carbon Nanotubes Evidenced by in Situ Transmission Electron Microscopy

    DEFF Research Database (Denmark)

    Zhang, Lili; He, Maoshuai; Hansen, Thomas Willum

    2017-01-01

    and successive growth of additional SWCNTs on Co catalyst particles supported on MgO by means of environmental transmission electron microscopy. Such in situ observations reveal the plethora of solid carbon formations at the local scale while it is happening and thereby elucidate the multitude of configurations...

  14. Can corruption favour growth via the composition of government spending?

    OpenAIRE

    Sugata Ghosh; Andros Gregoriou

    2010-01-01

    In an endogenous growth model with two public goods, we analytically derive the optimal composition of government spending in the presence of corruption. Although corruption results in a loss of productivity per se, an increase in corruption in the category of public spending that is harmed relatively more by corruption could have a favourable effect on growth, as it would encourage a benevolent government to divert spending towards the public good that is more productive, net of corruption.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-07-01

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

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

    International Nuclear Information System (INIS)

    Roos, K.R.

    1993-07-01

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

  17. Site-specific nucleation and controlled growth of a vertical tellurium nanowire array for high performance field emitters

    International Nuclear Information System (INIS)

    Safdar, Muhammad; Zhan Xueying; Mirza, Misbah; Wang Zhenxing; Sun Lianfeng; He Jun; Niu Mutong; Zhang Jinping; Zhao Qing

    2013-01-01

    We report the controlled growth of highly ordered and well aligned one-dimensional tellurium nanostructure arrays via a one-step catalyst-free physical vapor deposition method. The density, size and fine structures of tellurium nanowires are systematically studied and optimized. Field emission measurement was performed to display notable dependence on nanostructure morphologies. The ordered nanowire array based field emitter has a turn-on field as low as 3.27 V μm −1 and a higher field enhancement factor of 3270. Our finding offers the possibility of controlling the growth of tellurium nanowire arrays and opens up new means for their potential applications in electronic devices and displays. (paper)

  18. Heterogeneous nucleation and adatom detachment at one-dimensional growth of In on Si(100)-2 x 1

    Czech Academy of Sciences Publication Activity Database

    Javorský, J.; Setvín, M.; Ošt'ádal, I.; Sobotík, P.; Kotrla, Miroslav

    2009-01-01

    Roč. 79, č. 16 (2009), 165424/1-165424/9 ISSN 1098-0121 R&D Projects: GA ČR GA202/06/0049 Institutional research plan: CEZ:AV0Z10100520 Keywords : atomic chains * surface growth * nanostructures * indium * silicon * adatom diffusion * STM * kinetic MC * simulation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.475, year: 2009

  19. Nucleation of colloidal crystals on configurable seed structures

    NARCIS (Netherlands)

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

    2011-01-01

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

  20. Probabilistic approach to lysozyme crystal nucleation kinetics.

    Science.gov (United States)

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

    2015-09-01

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

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

    Science.gov (United States)

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

    2018-04-01

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

  2. Simulation of the concomitant process of nucleation-growth-coarsening of Al2Cu particles in a 319 foundry aluminum alloy

    International Nuclear Information System (INIS)

    Martinez, R; Larouche, D; Cailletaud, G; Guillot, I; Massinon, D

    2015-01-01

    The precipitation of Al 2 Cu particles in a 319 T7 aluminum alloy has been modeled. A theoretical approach enables the concomitant computation of nucleation, growth and coarsening. The framework is based on an implicit scheme using the finite differences. The equation of continuity is discretized in time and space in order to obtain a matricial form. The inversion of a tridiagonal matrix gives way to determining the evolution of the size distribution of Al 2 Cu particles at t  +Δt. The fluxes of in-between the boundaries are computed in order to respect the conservation of the mass of the system, as well as the fluxes at the boundaries. The essential results of the model are compared to TEM measurements. Simulations provide quantitative features on the impact of the cooling rate on the size distribution of particles. They also provide results in agreement with the TEM measurements. This kind of multiscale approach allows new perspectives to be examined in the process of designing highly loaded components such as cylinder heads. It enables a more precise prediction of the microstructure and its evolution as a function of continuous cooling rates. (paper)

  3. Electrochemical study of the AISI 409 ferritic stainless steel: passive film stability and pitting nucleation and growth

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Juliana Sarango de [Universidade Federal de São Paulo (UNIFESP), Diadema, SP (Brazil). Departamento de Ciências Exatas e da Terra; Oliveira, Leandro Antônio de; Antunes, Renato Altobelli, E-mail: renato.antunes@ufabc.edu.br [Universidade Federal do ABC (CECS/UFABC), Santo André, SP (Brazil). Centro de Engenharia, Modelagem e Ciências Sociais Aplicadas; Sayeg, Isaac Jamil [Universidade de São Paulo (USP), SP (Brazil). Instituto de Geociências

    2017-11-15

    The aim of the present work was to study the passive film stability and pitting corrosion behavior of the AISI 409 stainless steel. The electrochemical tests were carried out in 0.1 M NaCl solution at room temperature. The general electrochemical behavior was assessed using electrochemical impedance spectroscopy (EIS) measurements whereas the semiconducting properties of the passive film were evaluated by the Mott-Schottky approach. Pitting corrosion was investigated using potentiodynamic and potentiostatic polarization tests. Surface morphology was examined using confocal laser scanning microscopy and scanning electron microscopy (SEM). Energy dispersive X-ray spectroscopy (EDS) analyses were carried out to identify the composition of precipitates that could act as preferential sites for the onset of pitting corrosion. The results showed that the passive film presents n-type semiconductive behavior. Grain boundaries played an important role as pitting initiation sites for the AISI 409 stainless steel. (author)

  4. Electrochemical study of the AISI 409 ferritic stainless steel: passive film stability and pitting nucleation and growth

    International Nuclear Information System (INIS)

    Souza, Juliana Sarango de; Oliveira, Leandro Antônio de; Antunes, Renato Altobelli; Sayeg, Isaac Jamil

    2017-01-01

    The aim of the present work was to study the passive film stability and pitting corrosion behavior of the AISI 409 stainless steel. The electrochemical tests were carried out in 0.1 M NaCl solution at room temperature. The general electrochemical behavior was assessed using electrochemical impedance spectroscopy (EIS) measurements whereas the semiconducting properties of the passive film were evaluated by the Mott-Schottky approach. Pitting corrosion was investigated using potentiodynamic and potentiostatic polarization tests. Surface morphology was examined using confocal laser scanning microscopy and scanning electron microscopy (SEM). Energy dispersive X-ray spectroscopy (EDS) analyses were carried out to identify the composition of precipitates that could act as preferential sites for the onset of pitting corrosion. The results showed that the passive film presents n-type semiconductive behavior. Grain boundaries played an important role as pitting initiation sites for the AISI 409 stainless steel. (author)

  5. Simple improvements to classical bubble nucleation models.

    Science.gov (United States)

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

    2015-08-01

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

  6. Nucleation in ZBLAN glasses

    NARCIS (Netherlands)

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

    1989-01-01

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

  7. Nucleation and growth of sulfate aerosol in coal-fired power plant plumes: sensitivity to background aerosol and meteorology

    Directory of Open Access Journals (Sweden)

    R. G. Stevens

    2012-01-01

    Full Text Available New-particle formation in the plumes of coal-fired power plants and other anthropogenic sulfur sources may be an important source of particles in the atmosphere. It remains unclear, however, how best to reproduce this formation in global and regional aerosol models with grid-box lengths that are 10s of kilometers and larger. The predictive power of these models is thus limited by the resultant uncertainties in aerosol size distributions. In this paper, we focus on sub-grid sulfate aerosol processes within coal-fired power plant plumes: the sub-grid oxidation of SO2 with condensation of H2SO4 onto newly-formed and pre-existing particles. We have developed a modeling framework with aerosol microphysics in the System for Atmospheric Modelling (SAM, a Large-Eddy Simulation/Cloud-Resolving Model (LES/CRM. The model is evaluated against aircraft observations of new-particle formation in two different power-plant plumes and reproduces the major features of the observations. We show how the downwind plume aerosols can be greatly modified by both meteorological and background aerosol conditions. In general, new-particle formation and growth is greatly reduced during polluted conditions due to the large pre-existing aerosol surface area for H2SO4 condensation and particle coagulation. The new-particle formation and growth rates are also a strong function of the amount of sunlight and NOx since both control OH concentrations. The results of this study highlight the importance for improved sub-grid particle formation schemes in regional and global aerosol models.

  8. Nucleation and growth of sulfate aerosol in coal-fired power plant plumes: sensitivity to background aerosol and meteorology

    Science.gov (United States)

    Stevens, R. G.; Pierce, J. R.; Brock, C. A.; Reed, M. K.; Crawford, J. H.; Holloway, J. S.; Ryerson, T. B.; Huey, L. G.; Nowak, J. B.

    2012-01-01

    New-particle formation in the plumes of coal-fired power plants and other anthropogenic sulfur sources may be an important source of particles in the atmosphere. It remains unclear, however, how best to reproduce this formation in global and regional aerosol models with grid-box lengths that are 10s of kilometers and larger. The predictive power of these models is thus limited by the resultant uncertainties in aerosol size distributions. In this paper, we focus on sub-grid sulfate aerosol processes within coal-fired power plant plumes: the sub-grid oxidation of SO2 with condensation of H2SO4 onto newly-formed and pre-existing particles. We have developed a modeling framework with aerosol microphysics in the System for Atmospheric Modelling (SAM), a Large-Eddy Simulation/Cloud-Resolving Model (LES/CRM). The model is evaluated against aircraft observations of new-particle formation in two different power-plant plumes and reproduces the major features of the observations. We show how the downwind plume aerosols can be greatly modified by both meteorological and background aerosol conditions. In general, new-particle formation and growth is greatly reduced during polluted conditions due to the large pre-existing aerosol surface area for H2SO4 condensation and particle coagulation. The new-particle formation and growth rates are also a strong function of the amount of sunlight and NOx since both control OH concentrations. The results of this study highlight the importance for improved sub-grid particle formation schemes in regional and global aerosol models.

  9. On Latent Growth Models for Composites and Their Constituents.

    Science.gov (United States)

    Hancock, Gregory R; Mao, Xiulin; Kher, Hemant

    2013-09-01

    Over the last decade and a half, latent growth modeling has become an extremely popular and versatile technique for evaluating longitudinal change and its determinants. Most common among the models applied are those for a single measured variable over time. This model has been extended in a variety of ways, most relevant for the current work being the multidomain and the second-order latent growth models. Whereas the former allows for growth function characteristics to be modeled for multiple outcomes simultaneously, with the degree of growth characteristics' relations assessed within the model (e.g., cross-domain slope factor correlations), the latter models growth in latent outcomes, each of which has effect indicators repeated over time. But what if one has an outcome that is believed to be formative relative to its indicator variables rather than latent? In this case, where the outcome is a composite of multiple constituents, modeling change over time is less straightforward. This article provides analytical and applied details for simultaneously modeling growth in composites and their constituent elements, including a real data example using a general computer self-efficacy questionnaire.

  10. Growth of nucleation sites on Pb-doped Bi2Sr2Ca1Cu2O8+δ

    International Nuclear Information System (INIS)

    Finnemore, D.K.; Xu, M.; Kouzoudis, D.; Bloomer, T.; Kramer, M.J.; McKernan, S.; Balachandran, U.; Haldar, P.

    1996-01-01

    In the growth of Bi 2 Sr 2 Ca 2 Cu 3 O 10+δ from mixed powders of Pb-doped Bi 2 Sr 2 Ca 1 Cu 2 O 8+δ and other oxides, it has been discovered that a dense array of hillocks or mesas grow at the interface between a Ag overlay and Pb-doped Bi 2 Sr 2 Ca 1 Cu 2 O 8+δ grains during the ramp up to the reaction temperature. As viewed in an environmental scanning electron microscope, the Ag coated grains develop a texture that looks like open-quote open-quote chicken pox close-quote close-quote growing on the grains at about 700 degree C. These hillocks are about 100 nm across and are spaced at about 500 to 1000 nm. If there is no Ag, this texture does not develop. Preliminary measurements indicate that the hillocks are a recrystallization of (Bi,Pb) 2 Sr 2 Ca 1 Cu 2 O 8+δ , and are definitely not a Pb rich phase. copyright 1996 American Institute of Physics

  11. Nucleation in the atmosphere

    International Nuclear Information System (INIS)

    Hegg, D A; Baker, M B

    2009-01-01

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

  12. Monte-Carlo simulation of defect-cluster nucleation in metals during irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Nakasuji, Toshiki, E-mail: t-nakasuji@iae.kyoto-u.ac.jp [Graduate School of Energy Science, Kyoto University, Uji, Kyoto 611-0011 (Japan); Morishita, Kazunori [Institute of Advanced Energy, Kyoto University, Uji, Kyoto 611-0011 (Japan); Ruan, Xiaoyong [Graduate School of Energy Science, Kyoto University, Uji, Kyoto 611-0011 (Japan)

    2017-02-15

    Highlights: • Monte-Carlo simulations were performed to investigate the nucleation process of copper-vacancy clusters in Fe. • Nucleation paths were obtained as a function of temperature and the damage rate. - Abstract: A multiscale modeling approach was applied to investigate the nucleation process of CRPs (copper rich precipitates, i.e., copper-vacancy clusters) in α-Fe containing 1 at.% Cu during irradiation. Monte-Carlo simulations were performed to investigate the nucleation process, with the rate theory equation analysis to evaluate the concentration of displacement defects, along with the molecular dynamics technique to know CRP thermal stabilities in advance. Our MC simulations showed that there is long incubation period at first, followed by a rapid growth of CRPs. The incubation period depends on irradiation conditions such as the damage rate and temperature. CRP’s composition during nucleation varies with time. The copper content of CRPs shows relatively rich at first, and then becomes poorer as the precipitate size increases. A widely-accepted model of CRP nucleation process is finally proposed.

  13. Monte-Carlo simulation of defect-cluster nucleation in metals during irradiation

    International Nuclear Information System (INIS)

    Nakasuji, Toshiki; Morishita, Kazunori; Ruan, Xiaoyong

    2017-01-01

    Highlights: • Monte-Carlo simulations were performed to investigate the nucleation process of copper-vacancy clusters in Fe. • Nucleation paths were obtained as a function of temperature and the damage rate. - Abstract: A multiscale modeling approach was applied to investigate the nucleation process of CRPs (copper rich precipitates, i.e., copper-vacancy clusters) in α-Fe containing 1 at.% Cu during irradiation. Monte-Carlo simulations were performed to investigate the nucleation process, with the rate theory equation analysis to evaluate the concentration of displacement defects, along with the molecular dynamics technique to know CRP thermal stabilities in advance. Our MC simulations showed that there is long incubation period at first, followed by a rapid growth of CRPs. The incubation period depends on irradiation conditions such as the damage rate and temperature. CRP’s composition during nucleation varies with time. The copper content of CRPs shows relatively rich at first, and then becomes poorer as the precipitate size increases. A widely-accepted model of CRP nucleation process is finally proposed.

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

    Science.gov (United States)

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

    2017-11-01

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

  15. Changes in urine composition after trauma facilitate bacterial growth

    Directory of Open Access Journals (Sweden)

    Aubron Cecile

    2012-11-01

    Full Text Available Abstract Background Critically ill patients including trauma patients are at high risk of urinary tract infection (UTI. The composition of urine in trauma patients may be modified due to inflammation, systemic stress, rhabdomyolysis, life support treatment and/or urinary catheter insertion. Methods Prospective, single-centre, observational study conducted in patients with severe trauma and without a history of UTIs or recent antibiotic treatment. The 24-hour urine samples were collected on the first and the fifth days and the growth of Escherichia coli in urine from patients and healthy volunteers was compared. Biochemical and hormonal modifications in urine that could potentially influence bacterial growth were explored. Results Growth of E. coli in urine from trauma patients was significantly higher on days 1 and 5 than in urine of healthy volunteers. Several significant modifications of urine composition could explain these findings. On days 1 and 5, trauma patients had an increase in glycosuria, in urine iron concentration, and in the concentrations of several amino acids compared to healthy volunteers. On day 1, the urinary osmotic pressure was significantly lower than for healthy volunteers. Conclusion We showed that urine of trauma patients facilitated growth of E. coli when compared to urine from healthy volunteers. This effect was present in the first 24 hours and until at least the fifth day after trauma. This phenomenon may be involved in the pathophysiology of UTIs in trauma patients. Further studies are required to define the exact causes of such modifications.

  16. Controlled nucleation and crystallization of fluorozirconate glasses

    International Nuclear Information System (INIS)

    Frischat, G.H.

    1993-01-01

    Pt, Se, and Ag, respectively, were used as nucleating agents for a ZrF 4 -BaF 4 -YF 3 -AlF 3 glass. Nucleation and crystal growth rates were determined as a function of experimental conditions. In all cases the bulk crystals mainly consist of β-BaZrF6, leading to a relatively coarse-grained microstructure. However, in the case of Ag used as a nucleating agent, the microstructure is bimodal with an additional fine-grained crystal phase. In the cases of Se and Ag the relative crystal fraction could be developed in a controlled way between 0 and 100%

  17. Conformal growth method of ferroelectric materials for multifunctional composites

    Science.gov (United States)

    Bowland, Christopher Charles

    Multifunctional composites are the next generation of composites and aim to simultaneously meet multiple performance objectives to create system-level performance enhancements. Current fiber-reinforced composites have offered improved efficiency and performance through weight reduction and increased strength. However, these composites satisfy singular performance objectives. Therefore, the concept of multifunctional composites was developed as an approach to create components in a system that serve multiple functions. These composites aim to reduce the required components in a system by integrating unifunctional components together thus reducing the weight and complexity of the system as a whole. This work offers an approach to create multifunctional composites through the development of a structural, multifunctional fiber. This is achieved by synthesizing a ferroelectric material on the surface of carbon fiber. In this work, a two-step hydrothermal reaction is developed for synthesizing a conformal film of barium titanate (BaTiO3) on the surface of carbon fiber. A fundamental understanding of this hydrothermal process is performed on planar substrates leading to the development of processing parameters that result in epitaxial-type growth of highly-aligned BaTiO3 nanowires. This work establishes the hydrothermal reaction as a powerful synthesis technique for generating nanostructured BaTiO3 on carbon fiber creating a novel, multifunctional fiber. A reaction optimization process leads to the development of parameters that stabilize tetragonal phase BaTiO3 without the need for subsequent heat treatments. The application potential of these fibers is illustrated with both single fibers and woven fabrics. Single fiber cantilever beams are fabricated and subjected to vibrations to determine its voltage output with the ultimate goal of producing an air flow sensor. Carbon fiber reinforced composite integration is carried out by scaling up the hydrothermal reaction to

  18. Influence of transport mechanisms on nucleation and grain structure formation in DC cast aluminium alloy ingots

    Science.gov (United States)

    Bedel, M.; Založnik, M.; Kumar, A.; Combeau, H.; Jarry, P.; Waz, E.

    2012-01-01

    The grain structure formation in direct chill (DC) casting is directly linked to nucleation, which is generally promoted by inoculation. Inoculation prevents defects, but also modifies the physical properties by changing the microstructure. We studied the coupling of the nucleation on inoculant particles and the grain growth in the presence of melt flow induced by thermosolutal convection and of the transport of free-floating equiaxed grains. We used a volume-averaged two-phase multiscale model with a fully coupled description of phenomena on the grain scale (nucleation on grain refiner particles and grain growth) and on the product scale (macroscopic transport). The transport of inoculant particles is also modeled, which accounts for the inhomogeneous distribution of inoculant particles in the melt. The model was applied to an industrial sized (350mm thick) DC cast aluminium alloy ingot. A discretised nuclei size distribution was defined and the impact of different macroscopic phenomena on the grain structure formation was studied: the zone and intensity of nucleation and the resulting grain size distribution. It is shown that nucleation in the presence of macroscopic transport cannot be explained only in terms of cooling rate, but variations of composition, nuclei density and grain density, all affected by transport, must be accounted for.

  19. On void nucleation

    International Nuclear Information System (INIS)

    Subbotin, A.V.

    1978-01-01

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

  20. A classical view on nonclassical nucleation.

    Science.gov (United States)

    Smeets, Paul J M; Finney, Aaron R; Habraken, Wouter J E M; Nudelman, Fabio; Friedrich, Heiner; Laven, Jozua; De Yoreo, James J; Rodger, P Mark; Sommerdijk, Nico A J M

    2017-09-19

    Understanding and controlling nucleation is important for many crystallization applications. Calcium carbonate (CaCO 3 ) is often used as a model system to investigate nucleation mechanisms. Despite its great importance in geology, biology, and many industrial applications, CaCO 3 nucleation is still a topic of intense discussion, with new pathways for its growth from ions in solution proposed in recent years. These new pathways include the so-called nonclassical nucleation mechanism via the assembly of thermodynamically stable prenucleation clusters, as well as the formation of a dense liquid precursor phase via liquid-liquid phase separation. Here, we present results from a combined experimental and computational investigation on the precipitation of CaCO 3 in dilute aqueous solutions. We propose that a dense liquid phase (containing 4-7 H 2 O per CaCO 3 unit) forms in supersaturated solutions through the association of ions and ion pairs without significant participation of larger ion clusters. This liquid acts as the precursor for the formation of solid CaCO 3 in the form of vaterite, which grows via a net transfer of ions from solution according to z Ca 2+ + z CO 3 2- → z CaCO 3 The results show that all steps in this process can be explained according to classical concepts of crystal nucleation and growth, and that long-standing physical concepts of nucleation can describe multistep, multiphase growth mechanisms.

  1. Understanding the vapor-liquid-solid growth and composition of ternary III-V nanowires and nanowire heterostructures

    Science.gov (United States)

    Dubrovskii, V. G.

    2017-11-01

    Based on the recent achievements in vapor-liquid-solid (VLS) synthesis, characterization and modeling of ternary III-V nanowires and axial heterostructures within such nanowires, we try to understand the major trends in their compositional evolution from a general theoretical perspective. Clearly, the VLS growth of ternary materials is much more complex than in standard vapor-solid epitaxy techniques, and even maintaining the necessary control over the composition of steady-state ternary nanowires is far from straightforward. On the other hand, VLS nanowires offer otherwise unattainable material combinations without introducing structural defects and hence are very promising for next-generation optoelectronic devices, in particular those integrated with a silicon electronic platform. In this review, we consider two main problems. First, we show how and by means of which parameters the steady-state composition of Au-catalyzed or self-catalyzed ternary III-V nanowires can be tuned to a desired value and why it is generally different from the vapor composition. Second, we present some experimental data and modeling results for the interfacial abruptness across axial nanowire heterostructures, both in Au-catalyzed and self-catalyzed VLS growth methods. Refined modeling allows us to formulate some general growth recipes for suppressing the unwanted reservoir effect in the droplet and sharpening the nanowire heterojunctions. We consider and refine two approaches developed to date, namely the regular crystallization model for a liquid alloy with a critical size of only one III-V pair at high supersaturations or classical binary nucleation theory with a macroscopic critical nucleus at modest supersaturations.

  2. Nonclassical nucleation pathways in protein crystallization.

    Science.gov (United States)

    Zhang, Fajun

    2017-11-08

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

  3. Nonclassical nucleation pathways in protein crystallization

    Science.gov (United States)

    Zhang, Fajun

    2017-11-01

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

  4. Diamond Nucleation Using Polyethene

    Science.gov (United States)

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

    2013-01-01

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

  5. Void nucleation at heterogeneities

    International Nuclear Information System (INIS)

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

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

  6. The effect of Bovine Growth Hormone on Growth, Carcass Composition and Meat Quality of Dairy Heifers

    DEFF Research Database (Denmark)

    Vestergaard, Mogens; Sejrsen, Kristen; Foldager, John

    1993-01-01

    , one animal was given daily subcutaneous injections of 20 IU of pituitary-derived bGH (15-20 mg), while the other animal was injected with saline (excipient). Treatments started at 179±2 kg body weight and lasted for 15.6 weeks. At slaughter, carcass composition and meat quality were analyzed. b......Our objective was to examine the effects of bovine growth hormone (bGH) on growth, carcass composition and meat quality of dairy heifers. Nine monozygotic twin pairs of Friesian or Red Danish cattle were used, and pair-fed diet consisting of grass silage, barley and soybean meal. Within each pair......GH treatment increased gain by 8% (948 vs. 877 g/d; P carcass and lean content of four main carcass cuts were on average increased by 2% (P carcass fat trim was reduced by 12% (P

  7. Mutations in C4orf26, encoding a peptide with in vitro hydroxyapatite crystal nucleation and growth activity, cause amelogenesis imperfecta.

    Science.gov (United States)

    Parry, David A; Brookes, Steven J; Logan, Clare V; Poulter, James A; El-Sayed, Walid; Al-Bahlani, Suhaila; Al Harasi, Sharifa; Sayed, Jihad; Raïf, El Mostafa; Shore, Roger C; Dashash, Mayssoon; Barron, Martin; Morgan, Joanne E; Carr, Ian M; Taylor, Graham R; Johnson, Colin A; Aldred, Michael J; Dixon, Michael J; Wright, J Tim; Kirkham, Jennifer; Inglehearn, Chris F; Mighell, Alan J

    2012-09-07

    Autozygosity mapping and clonal sequencing of an Omani family identified mutations in the uncharacterized gene, C4orf26, as a cause of recessive hypomineralized amelogenesis imperfecta (AI), a disease in which the formation of tooth enamel fails. Screening of a panel of 57 autosomal-recessive AI-affected families identified eight further families with loss-of-function mutations in C4orf26. C4orf26 encodes a putative extracellular matrix acidic phosphoprotein expressed in the enamel organ. A mineral nucleation assay showed that the protein's phosphorylated C terminus has the capacity to promote nucleation of hydroxyapatite, suggesting a possible function in enamel mineralization during amelogenesis. Copyright © 2012 The American Society of Human Genetics. Published by Elsevier Inc. All rights reserved.

  8. Mutations in C4orf26, Encoding a Peptide with In Vitro Hydroxyapatite Crystal Nucleation and Growth Activity, Cause Amelogenesis Imperfecta

    Science.gov (United States)

    Parry, David A.; Brookes, Steven J.; Logan, Clare V.; Poulter, James A.; El-Sayed, Walid; Al-Bahlani, Suhaila; Al Harasi, Sharifa; Sayed, Jihad; Raïf, El Mostafa; Shore, Roger C.; Dashash, Mayssoon; Barron, Martin; Morgan, Joanne E.; Carr, Ian M.; Taylor, Graham R.; Johnson, Colin A.; Aldred, Michael J.; Dixon, Michael J.; Wright, J. Tim; Kirkham, Jennifer; Inglehearn, Chris F.; Mighell, Alan J.

    2012-01-01

    Autozygosity mapping and clonal sequencing of an Omani family identified mutations in the uncharacterized gene, C4orf26, as a cause of recessive hypomineralized amelogenesis imperfecta (AI), a disease in which the formation of tooth enamel fails. Screening of a panel of 57 autosomal-recessive AI-affected families identified eight further families with loss-of-function mutations in C4orf26. C4orf26 encodes a putative extracellular matrix acidic phosphoprotein expressed in the enamel organ. A mineral nucleation assay showed that the protein’s phosphorylated C terminus has the capacity to promote nucleation of hydroxyapatite, suggesting a possible function in enamel mineralization during amelogenesis. PMID:22901946

  9. Gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

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

  10. Gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-12-31

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

  11. Preferential nucleation and growth of InAs/GaAs(0 0 1) quantum dots on defected sites by droplet epitaxy

    International Nuclear Information System (INIS)

    Chen, Z.B.; Lei, W.; Chen, B.; Wang, Y.B.; Liao, X.Z.; Tan, H.H.; Zou, J.; Ringer, S.P.; Jagadish, C.

    2013-01-01

    A double-layer InAs/GaAs(0 0 1) quantum dot structure grown by droplet epitaxy was found to have V-shaped defects, with the two arms of each defect originating from a buried quantum dot and extended to the top surface. Quantum dots on the sample surface nucleated and grew preferentially on top of the arms of the V-shaped defects. The mechanism behind the observed phenomenon was discussed

  12. Nucleation and growth of defects in heavy-ion and electron-bombarded metals. Final report for the period ending February 29, 1980

    International Nuclear Information System (INIS)

    Kulcinski, G.L.

    1983-04-01

    He preinjection was found to be essential in nucleating voids in high-purity Al. Interstitial pickup in high-purity V was found to be important even under good vacuum (10 - 6 to 10 - 7 torr). Voids were found to form in V down to 200 0 C. A model was tested against rdiation disordering/ordering in Cu 3 Au. Disordering in CuPd was studied. A small negative heavy ion source (SNICS) was developed for the tandem accelerator

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

    Science.gov (United States)

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

    2018-05-01

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

  14. Growth and biochemical composition of Chlorella vulgaris in different growth media

    Directory of Open Access Journals (Sweden)

    MATHIAS A. CHIA

    2013-10-01

    Full Text Available The need for clean and low-cost algae production demands for investigations on algal physiological response under different growth conditions. In this research, we investigated the growth, biomass production and biochemical composition of Chlorella vulgaris using semi-continuous cultures employing three growth media (LC Oligo, Chu 10 and WC media. The highest cell density was obtained in LC Oligo, while the lowest in Chu medium. Chlorophyll a, carbohydrate and protein concentrations and yield were highest in Chu and LC Oligo media. Lipid class analysis showed that hydrocarbons (HC, sterol esthers (SE, free fatty acids (FFA, aliphatic alcohols (ALC, acetone mobile polar lipids (AMPL and phospholipids (PL concentrations and yields were highest in the Chu medium. Triglyceride (TAG and sterol (ST concentrations were highest in the LC Oligo medium. The results suggested that for cost effective cultivation, LC Oligo medium is the best choice among those studied, as it saved the cost of buying vitamins and EDTA associated with the other growth media, while at the same time resulted in the best growth performance and biomass production.

  15. Final Report on investigations of the influence of helium concentration and implantation rate on cavity nucleation and growth during neutron irradiation of Fe and EUROFER 97

    International Nuclear Information System (INIS)

    Eldrup, M.; Singh, B.N.; Golubov, S.

    2010-09-01

    Model have been carried out for neutron irradiation with and without prior He implantation and for different implantation rates for comparison with the experimental results. Further, the purpose was to evaluate the role of helium in cavity nucleation and growth during 14 MeV neutron irradiation in a fusion reactor. Calculations were carried out for the experimental temperatures of 323 K and 623 K, i.e. below and above the recovery stage V. In general, the calculations agree qualitatively with the experimental observations and in some cases quantitatively. In this way the calculations give an experimentally supported detailed insight into the evolution of the cavity microstructure under different conditions. (author)

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

    DEFF Research Database (Denmark)

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

    2012-01-01

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

  17. Nucleation path of helium bubbles in metals during irradiation

    International Nuclear Information System (INIS)

    Morishita, Kazunori

    2008-01-01

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

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

    International Nuclear Information System (INIS)

    Brailsford, A.D.

    1977-01-01

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

  19. Bubble nucleation in an explosive micro-bubble actuator

    NARCIS (Netherlands)

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

    2008-01-01

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

  20. Water nucleation : wave tube experiments and theoretical considerations

    NARCIS (Netherlands)

    Holten, V.

    2009-01-01

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

  1. UiO-66-NH2 Metal-Organic Framework (MOF) Nucleation on TiO2, ZnO, and Al2O3 Atomic Layer Deposition-Treated Polymer Fibers: Role of Metal Oxide on MOF Growth and Catalytic Hydrolysis of Chemical Warfare Agent Simulants.

    Science.gov (United States)

    Lee, Dennis T; Zhao, Junjie; Oldham, Christopher J; Peterson, Gregory W; Parsons, Gregory N

    2017-12-27

    Metal-organic frameworks (MOFs) chemically bound to polymeric microfibrous textiles show promising performance for many future applications. In particular, Zr-based UiO-66-family MOF-textiles have been shown to catalytically degrade highly toxic chemical warfare agents (CWAs), where favorable MOF/polymer bonding and adhesion are attained by placing a nanoscale metal-oxide layer on the polymer fiber preceding MOF growth. To date, however, the nucleation mechanism of Zr-based MOFs on different metal oxides and how product performance is affected are not well understood. Herein, we provide new insight into how different inorganic nucleation films (i.e., Al 2 O 3 , ZnO, or TiO 2 ) conformally coated on polypropylene (PP) nonwoven textiles via atomic layer deposition (ALD) influence the quality, overall surface area, and the fractional yield of UiO-66-NH 2 MOF crystals solvothermally grown on fiber substrates. Of the materials explored, we find that TiO 2 ALD layers lead to the most effective overall MOF/fiber adhesion, uniformity, and a rapid catalytic degradation rate for a CWA simulant, dimethyl p-nitrophenyl phosphate (DMNP) with t 1/2 = 15 min, 580-fold faster than the catalytic performance of untreated PP textiles. Interestingly, compared to ALD TiO 2 and Al 2 O 3 , ALD ZnO induces a larger MOF yield in solution and mass loading on PP fibrous mats. However, this larger MOF yield is ascribed to chemical instability of the ZnO layer under MOF formation condition, leading to Zn 2+ ions that promote further homogeneous MOF growth. Insights presented here improve understanding of compatibility between active MOF materials and substrate surfaces, which we believe will help advanced MOF composite materials for a variety of useful functions.

  2. Modelling the stochastic behaviour of primary nucleation.

    Science.gov (United States)

    Maggioni, Giovanni Maria; Mazzotti, Marco

    2015-01-01

    We study the stochastic nature of primary nucleation and how it manifests itself in a crystallisation process at different scales and under different operating conditions. Such characteristics of nucleation are evident in many experiments where detection times of crystals are not identical, despite identical experimental conditions, but instead are distributed around an average value. While abundant experimental evidence has been reported in the literature, a clear theoretical understanding and an appropriate modelling of this feature is still missing. In this contribution, we present two models describing a batch cooling crystallisation, where the interplay between stochastic nucleation and deterministic crystal growth is described differently in each. The nucleation and growth rates of the two models are estimated by a comprehensive set of measurements of paracetamol crystallisation from aqueous solution in a 1 mL vessel [Kadam et al., Chemical Engineering Science, 2012, 72, 10-19]. Both models are applied to the cooling crystallisation process above under different operating conditions, i.e. different volumes, initial concentrations, cooling rates. The advantages and disadvantages of the two approaches are illustrated and discussed, with particular reference to their use across scales of nucleation rate measured in very small crystallisers.

  3. Inhibition of calcium carbonate crystal growth by organic additives using the constant composition method in conditions of recirculating cooling circuits

    Science.gov (United States)

    Chhim, Norinda; Kharbachi, Chams; Neveux, Thibaut; Bouteleux, Céline; Teychené, Sébastien; Biscans, Béatrice

    2017-08-01

    The cooling circuits used in power plants are subject to mineral crystallization which can cause scaling on the surfaces of equipment and construction materials reducing their heat exchange efficiency. Precipitated calcium carbonate is the predominant mineral scale commonly observed in cooling systems. Supersaturation is the key parameter controlling the nucleation and growth of calcite in these systems. The present work focuses on the precipitation of calcite using the constant composition method at constant supersaturation, through controlled addition of reactants to a semi-batch crystallizer, in order to maintain constant solution pH. The determination of the thermodynamic driving force (supersaturation) was based on the relevant chemical equilibria, total alkalinity and calculation of the activity coefficients. Calcite crystallization rates were derived from the experiments performed at supersaturation levels similar to those found in industrial station cooling circuits. Several types of seeds particles were added into the aqueous solution to mimic natural river water conditions in terms of suspended particulate matters content, typically: calcite, silica or illite particles. The effect of citric and copolycarboxylic additive inhibitors added to the aqueous solution was studied. The calcium carbonate growth rate was reduced by 38.6% in the presence of the citric additive and a reduction of 92.7% was observed when the copolycarboxylic additive was used under identical experimental conditions. These results are explained by the location of the adsorbed inhibitor at the crystal surface and by the degree of chemical bonding to the surface.

  4. Bubble nucleation in an explosive micro-bubble actuator

    International Nuclear Information System (INIS)

    Van den Broek, D M; Elwenspoek, M

    2008-01-01

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

  5. Heterogeneous nucleation of amorphous alloys on catalytic nanoparticles to produce 2D patterned nanocrystal arrays

    Energy Technology Data Exchange (ETDEWEB)

    Gangopadhyay, A K [Department of Physics, Washington University in St Louis, MO 63130 (United States); Krishna, H [Department of Physics, Washington University in St Louis, MO 63130 (United States); Favazza, C [Department of Physics, Washington University in St Louis, MO 63130 (United States); Miller, C [Center for Materials Innovation, Washington University in St Louis, MO 63130 (United States); Kalyanaraman, R [Department of Physics, Washington University in St Louis, MO 63130 (United States)

    2007-12-05

    Templates are widely used to produce artificial nanostructures. Here, laser-assisted self-organization has been used to form one- and two-dimensional (D) nanoarrays of Cu nanocrystals. Using these nanoarrays as a template, a 2D patterned ferromagnetic nanostructure of FeCrSi nanocrystals has been produced by heterogeneous nucleation and growth of nanocrystals by partial devitrification from an amorphous Fe{sub 64.5}Cr{sub 10}Si{sub 13.5}B{sub 9}Nb{sub 3} alloy with the Cu nanoparticles acting as catalytic nucleation sites. The interaction among the ferromagnetic nanocrystals via the residual amorphous matrix can be controlled by suitable choice of the amorphous alloy composition. Although demonstrated for a ferromagnetic system, the processing method may have much wider applicability for producing artificial nanostructures of a wide variety of materials when materials-specific catalysts and amorphous alloy compositions are judiciously chosen.

  6. Heterogeneous nucleation of amorphous alloys on catalytic nanoparticles to produce 2D patterned nanocrystal arrays

    International Nuclear Information System (INIS)

    Gangopadhyay, A K; Krishna, H; Favazza, C; Miller, C; Kalyanaraman, R

    2007-01-01

    Templates are widely used to produce artificial nanostructures. Here, laser-assisted self-organization has been used to form one- and two-dimensional (D) nanoarrays of Cu nanocrystals. Using these nanoarrays as a template, a 2D patterned ferromagnetic nanostructure of FeCrSi nanocrystals has been produced by heterogeneous nucleation and growth of nanocrystals by partial devitrification from an amorphous Fe 64.5 Cr 10 Si 13.5 B 9 Nb 3 alloy with the Cu nanoparticles acting as catalytic nucleation sites. The interaction among the ferromagnetic nanocrystals via the residual amorphous matrix can be controlled by suitable choice of the amorphous alloy composition. Although demonstrated for a ferromagnetic system, the processing method may have much wider applicability for producing artificial nanostructures of a wide variety of materials when materials-specific catalysts and amorphous alloy compositions are judiciously chosen

  7. The effect of zinc supplementation on linear growth, body composition, and growth factors in preterm infants.

    Science.gov (United States)

    Díaz-Gómez, N Marta; Doménech, Eduardo; Barroso, Flora; Castells, Silvia; Cortabarria, Carmen; Jiménez, Alejandro

    2003-05-01

    The aim of our study was to evaluate the effect of zinc supplementation on linear growth, body composition, and growth factors in premature infants. Thirty-six preterm infants (gestational age: 32.0 +/- 2.1 weeks, birth weight: 1704 +/- 364 g) participated in a longitudinal double-blind, randomized clinical trial. They were randomly allocated either to the supplemental (S) group fed with a standard term formula supplemented with zinc (final content 10 mg/L) and a small quantity of copper (final content 0.6 mg/L), or to the placebo group fed with the same formula without supplementation (final content of zinc: 5 mg/L and copper: 0.4 mg/L), from 36 weeks postconceptional age until 6 months corrected postnatal age. At each evaluation, anthropometric variables and bioelectrical impedance were measured, a 3-day dietary record was collected, and a blood sample was taken. We analyzed serum levels of total alkaline phosphatase, skeletal alkaline phosphatase (sALP), insulin growth factor (IGF)-I, IGF binding protein-3, IGF binding protein-1, zinc and copper, and the concentrations of zinc in erythrocytes. The S group had significantly higher zinc levels in serum and erythrocytes and lower serum copper levels with respect to the placebo group. We found that the S group had a greater linear growth (from baseline to 3 months corrected age: Delta score deviation standard length: 1.32 +/-.8 vs.38 +/-.8). The increase in total body water and in serum levels of sALP was also significantly higher in the S group (total body water: 3 months; corrected age: 3.8 +/-.5 vs 3.5 +/-.4 kg, 6 months; corrected age: 4.5 +/-.5 vs 4.2 +/-.4 kg; sALP: 3 months; corrected age: 140.2 +/- 28.7 vs 118.7 +/- 18.8 micro g/L). Zinc supplementation has a positive effect on linear growth in premature infants.

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

    Directory of Open Access Journals (Sweden)

    V.-M. Kerminen

    2010-11-01

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

  9. From molecular clusters to nanoparticles: second-generation ion-mediated nucleation model

    Directory of Open Access Journals (Sweden)

    F. Yu

    2006-01-01

    Full Text Available Ions, which are generated in the atmosphere by galactic cosmic rays and other ionization sources, may play an important role in the formation of atmospheric aerosols. In the paper, a new second-generation ion-mediated nucleation (IMN model is presented. The new model explicitly treats the evaporation of neutral and charged clusters and it describes the evolution of the size spectra and composition of both charged and neutral clusters/particles ranging from small clusters of few molecules to large particles of several micrometers in diameter. Schemes used to calculate the evaporation coefficients for small neutral and charged clusters are consistent with the experimental data within the uncertainty range. The present IMN model, which is size-, composition-, and type-resolved, is a powerful tool for investigating the dominant mechanisms and key parameters controlling the formation and subsequent growth of nanoparticles in the atmosphere. This model can be used to analyze simultaneous measurements of the ion-mobility spectra and particle size distributions, which became available only recently. General features of the spectra for ions smaller than the critical size, size-dependent fractions of charged nanoparticles, and asymmetrical charging of freshly nucleated particles predicted by the new IMN model are consistent with recent measurements. Results obtained using the second generation IMN model, in which the most recent thermodynamic data for neutral and charged H2SO4-H2O clusters were used, suggest that ion-mediated nucleation of H2SO4-H2O can lead to a significant production of new particles in the lower atmosphere (including the boundary layer under favorable conditions. It has been shown that freshly nucleated particles of few nanometers in size can grow by the condensation of low volatile organic compounds to the size of cloud condensation nuclei. In such cases, the chemical composition of nucleated particles larger than ~10 nm is dominated

  10. Return to nucleate boiling

    International Nuclear Information System (INIS)

    Shumway, R.W.

    1985-01-01

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

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

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  12. Effect of Air Injection on Nucleation Rates

    DEFF Research Database (Denmark)

    Capellades Mendez, Gerard; Kiil, Søren; Dam-Johansen, Kim

    2017-01-01

    From disruption of the supersaturated solution to improved mass transfer in the crystallizing suspension, the introduction of a moving gas phase in a crystallizer could lead to improved rates of nucleation and crystal growth. In this work, saturated air has been injected to batch crystallizers...... to study the effects on formation of the first crystal and subsequent turbidity buildup. To account for the typically large sample-to-sample variation, nucleation rates were evaluated for a large number of replicates using probability distributions of induction times. The slope and the intercept...... was reduced from 69 to 13 min, and the mean induction time decreased from 128 to 36 min. The effect on aqueous solutions of l-arginine was less apparent, with a detection delay reduction from 15 to 3 min, and no significant changes on the rate of primary nucleation. These results demonstrate the potential...

  13. Boundary layer new particle formation over East Antarctic sea ice – possible Hg-driven nucleation?

    Directory of Open Access Journals (Sweden)

    R. S. Humphries

    2015-12-01

    Full Text Available Aerosol observations above the Southern Ocean and Antarctic sea ice are scarce. Measurements of aerosols and atmospheric composition were made in East Antarctic pack ice on board the Australian icebreaker Aurora Australis during the spring of 2012. One particle formation event was observed during the 32 days of observations. This event occurred on the only day to exhibit extended periods of global irradiance in excess of 600 W m−2. Within the single air mass influencing the measurements, number concentrations of particles larger than 3 nm (CN3 reached almost 7700 cm−3 within a few hours of clouds clearing, and grew at rates of 5.6 nm h−1. Formation rates of 3 nm particles were in the range of those measured at other Antarctic locations at 0.2–1.1 ± 0.1 cm−3 s−1. Our investigations into the nucleation chemistry found that there were insufficient precursor concentrations for known halogen or organic chemistry to explain the nucleation event. Modelling studies utilising known sulfuric acid nucleation schemes could not simultaneously reproduce both particle formation or growth rates. Surprising correlations with total gaseous mercury (TGM were found that, together with other data, suggest a mercury-driven photochemical nucleation mechanism may be responsible for aerosol nucleation. Given the very low vapour pressures of the mercury species involved, this nucleation chemistry is likely only possible where pre-existing aerosol concentrations are low and both TGM concentrations and solar radiation levels are relatively high (∼ 1.5 ng m−3 and ≥ 600 W m−2, respectively, such as those observed in the Antarctic sea ice boundary layer in this study or in the global free troposphere, particularly in the Northern Hemisphere.

  14. Nonequilibrium thermodynamics of nucleation

    NARCIS (Netherlands)

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

    2014-01-01

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

  15. Subcritical crack growth behavior of AI2O3-Glass dental composites

    NARCIS (Netherlands)

    Zhu, Q.; With, G. de; Dortmans, L.J.M.G.; Feenstra, F.

    2003-01-01

    The purpose of this study is to investigate the subcritical crack growth (SCG) behavior of alumina-glass dental composites. Alumina-glass composites were fabricated by infiltrating molten glass to porous alumina preforms. Rectangular bars of the composite were subject to dynamic loading in air, with

  16. A method for detecting the presence of organic fraction in nucleation mode sized particles

    Directory of Open Access Journals (Sweden)

    P. Vaattovaara

    2005-01-01

    Full Text Available New particle formation and growth has a very important role in many climate processes. However, the overall knowlegde of the chemical composition of atmospheric nucleation mode (particle diameter, d<20 nm and the lower end of Aitken mode particles (d≤50 nm is still insufficient. In this work, we have applied the UFO-TDMA (ultrafine organic tandem differential mobility analyzer method to shed light on the presence of an organic fraction in the nucleation mode size class in different atmospheric environments. The basic principle of the organic fraction detection is based on our laboratory UFO-TDMA measurements with organic and inorganic compounds. Our laboratory measurements indicate that the usefulness of the UFO-TDMA in the field experiments would arise especially from the fact that atmospherically the most relevant inorganic compounds do not grow in subsaturated ethanol vapor, when particle size is 10 nm in diameter and saturation ratio is about 86% or below it. Furthermore, internally mixed particles composed of ammonium bisulfate and sulfuric acid with sulfuric acid mass fraction ≤33% show no growth at 85% saturation ratio. In contrast, 10 nm particles composed of various oxidized organic compounds of atmospheric relevance are able to grow in those conditions. These discoveries indicate that it is possible to detect the presence of organics in atmospheric nucleation mode sized particles using the UFO-TDMA method. In the future, the UFO-TDMA is expected to be an important aid to describe the composition of atmospheric newly-formed particles.

  17. Structure and Composition of Old-Growth and Unmanaged Second-Growth Riparian Forests at Redwood National Park, USA

    Directory of Open Access Journals (Sweden)

    Christopher R. Keyes

    2014-02-01

    Full Text Available Restoration of second-growth riparian stands has become an important issue for managers of redwood (Sequoia sempervirens [D. Don] Endl. forest reserves. Identifying differences between old-growth and second-growth forest vegetation is a necessary step in evaluating restoration needs and targets. The objective of this study was to characterize and contrast vegetation structure and composition in old-growth and unmanaged second-growth riparian forests in adjacent, geomorphologically similar watersheds at Redwood National Park. In the old-growth, redwood was the dominant overstory species in terms of stem density, basal area, and importance values. Second-growth was dominated by red alder (Alnus rubra Bong., Douglas-fir (Pseudotsuga menziesii [Mirbel] Franco, and redwood. Understory species were similar in both forests, with several key differences: Oxalis oregana Nutt. and Trillium ovatum Pursh had greater importance values in the old-growth, and Vaccinium parvifolium Sm., Dryopteris spp. and sedges Carex spp. had greater importance values in the second-growth. Notable differences in structure and composition suggest that restoration practices such as thinning could expedite the acquisition of old-growth characteristics in second-growth riparian forests.

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

    Science.gov (United States)

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

    2015-11-28

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

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

    Science.gov (United States)

    Lifanov, Yuri; Vorselaars, Bart; Quigley, David

    2016-12-07

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

  20. Homogeneous crystal nucleation in polymers.

    Science.gov (United States)

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

    2017-11-15

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

  1. Bone density and body composition in chronic renal failure: effects of growth hormone treatment

    NARCIS (Netherlands)

    van der Sluis, I. M.; Boot, A. M.; Nauta, J.; Hop, W. C.; de Jong, M. C.; Lilien, M. R.; Groothoff, J. W.; van Wijk, A. E.; Pols, H. A.; Hokken-Koelega, A. C.; de Muinck Keizer-Schrama, S. M.

    2000-01-01

    Metabolic bone disease and growth retardation are common complications of chronic renal failure (CRF). We evaluated bone mineral density (BMD), bone metabolism, body composition and growth in children with CRF, and the effect of growth hormone treatment (GHRx) on these variables. Thirty-three

  2. Onset of runaway nucleation in aerosol reactors

    Science.gov (United States)

    Wu, Jin Jwang; Flagan, Richard C.

    1987-01-01

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

  3. Autocatalytic microtubule nucleation determines the size and mass of Xenopus laevis egg extract spindles.

    Science.gov (United States)

    Decker, Franziska; Oriola, David; Dalton, Benjamin; Brugués, Jan

    2018-01-11

    Regulation of size and growth is a fundamental problem in biology. A prominent example is the formation of the mitotic spindle, where protein concentration gradients around chromosomes are thought to regulate spindle growth by controlling microtubule nucleation. Previous evidence suggests that microtubules nucleate throughout the spindle structure. However, the mechanisms underlying microtubule nucleation and its spatial regulation are still unclear. Here, we developed an assay based on laser ablation to directly probe microtubule nucleation events in Xenopus laevis egg extracts. Combining this method with theory and quantitative microscopy, we show that the size of a spindle is controlled by autocatalytic growth of microtubules, driven by microtubule-stimulated microtubule nucleation. The autocatalytic activity of this nucleation system is spatially regulated by the limiting amounts of active microtubule nucleators, which decrease with distance from the chromosomes. This mechanism provides an upper limit to spindle size even when resources are not limiting. © 2018, Decker et al.

  4. A review of theoretical study of graphene chemical vapor deposition synthesis on metals: nucleation, growth, and the role of hydrogen and oxygen

    Science.gov (United States)

    Rezwan Habib, Mohammad; Liang, Tao; Yu, Xuegong; Pi, Xiaodong; Liu, Yingchun; Xu, Mingsheng

    2018-03-01

    Graphene has attracted intense research interest due to its extraordinary properties and great application potential. Various methods have been proposed for the synthesis of graphene, among which chemical vapor deposition has drawn a great deal of attention for synthesizing large-area and high-quality graphene. Theoretical understanding of the synthesis mechanism is crucial for optimizing the experimental design for desired graphene production. In this review, we discuss the three fundamental steps of graphene synthesis in details, i.e. (1) decomposition of carbon feedstocks and formation of various active carbon species, (2) nucleation, and (3) attachment and extension. We provide a complete scenario of graphene synthesis on metal surfaces at atomistic level by means of density functional theory, molecular dynamics (MD), Monte Carlo (MC) and their combination and interface with other simulation methods such as quantum mechanical molecular dynamics, density functional tight binding molecular dynamics, and combination of MD and MC. We also address the latest investigation of the influences of the hydrogen and oxygen on the synthesis and the quality of the synthesized graphene.

  5. Crystallization processes in Ni-Ti-B glassy alloys of near-ternary-eutectic composition

    International Nuclear Information System (INIS)

    Merk, N.; Morris, D.G.; Stadelmann, P.

    1987-01-01

    The crystallization kinetics and mechanisms of three Ni-Ti-B glasses have been examined with a view to elucidating the roles of chemical composition and quenched structure on behaviour. Alloys of composition near a ternary-eutectic point have been chosen because they represent a real and complex situation where several crystalline phases may form simultaneously. Crystallization processes are analysed in terms of nucleation and growth stages. Different nucleation mechanisms seem to be best explained in terms of the short range ordered structure of the quenched glass. Analysis of crystal glass interface energies indicates that it is not this energy term which controls the nucleation of crystals on annealing. Crystal growth may involve a eutectic mechanism or a single-phase mechanism controlled by interface or matrix-diffusion kinetics. Crystallization is fastest when eutectic nucleation and growth occurs. Formation of the eutectic colony requires the initial formation of the phase of complex structure followed by the phase of simpler structure

  6. Nucleation from a cluster of inclusions, leading to void coalescense

    DEFF Research Database (Denmark)

    Tvergaard, Viggo

    2017-01-01

    A cell model analysis is used to study the nucleation and subsequent growth of voids from a non-uniform distribution of inclusions in a ductile material. Nucleation is modeled as either stress controlled or strain controlled. The special clusters considered consist of a number of uniformly spaced...... inclusions located along a plane perpendicular to the maximum principal tensile stress. A plane strain approximation is used, where the inclusions are parallel cylinders perpendicular to the plane. Clusters with different numbers of inclusions are compared with the nucleation and growth from a single...... inclusion, such that the total initial volume of the inclusions is the same for the clusters and the single inclusion. After nucleation, local void coalescence inside the clusters is accounted for, since this makes it possible to compare the rate of growth of the single larger void that results from...

  7. A kinetic Monte Carlo simulation method of van der Waals epitaxy for atomistic nucleation-growth processes of transition metal dichalcogenides.

    Science.gov (United States)

    Nie, Yifan; Liang, Chaoping; Cha, Pil-Ryung; Colombo, Luigi; Wallace, Robert M; Cho, Kyeongjae

    2017-06-07

    Controlled growth of crystalline solids is critical for device applications, and atomistic modeling methods have been developed for bulk crystalline solids. Kinetic Monte Carlo (KMC) simulation method provides detailed atomic scale processes during a solid growth over realistic time scales, but its application to the growth modeling of van der Waals (vdW) heterostructures has not yet been developed. Specifically, the growth of single-layered transition metal dichalcogenides (TMDs) is currently facing tremendous challenges, and a detailed understanding based on KMC simulations would provide critical guidance to enable controlled growth of vdW heterostructures. In this work, a KMC simulation method is developed for the growth modeling on the vdW epitaxy of TMDs. The KMC method has introduced full material parameters for TMDs in bottom-up synthesis: metal and chalcogen adsorption/desorption/diffusion on substrate and grown TMD surface, TMD stacking sequence, chalcogen/metal ratio, flake edge diffusion and vacancy diffusion. The KMC processes result in multiple kinetic behaviors associated with various growth behaviors observed in experiments. Different phenomena observed during vdW epitaxy process are analysed in terms of complex competitions among multiple kinetic processes. The KMC method is used in the investigation and prediction of growth mechanisms, which provide qualitative suggestions to guide experimental study.

  8. Growth Hormone Improves Cardiopulmonary Capacity and Body Composition in Children With Growth Hormone Deficiency.

    Science.gov (United States)

    Capalbo, Donatella; Barbieri, Flavia; Improda, Nicola; Giallauria, Francesco; Di Pietro, Elisa; Rapacciuolo, Antonio; Di Mase, Raffaella; Vigorito, Carlo; Salerno, Mariacarolina

    2017-11-01

    Growth hormone deficiency (GHD) in children may be associated with early cardiovascular risk factors and alterations in left ventricular (LV) structure and function; data on cardiopulmonary functional capacity are lacking. Aim of the study was to evaluate the effect of GHD and growth hormone (GH) therapy on cardiopulmonary functional capacity, left and right cardiac structure and function, and body composition in children and adolescents. Prospective, case-control study. Twenty-one untrained GHD children (11.3 ± 0.8 years) underwent cardiopulmonary exercise testing, echocardiography and dual-energy x-ray absorptiometry, before and after 12 months of GH therapy. Twenty-one controls matched for sex, pubertal status, body mass index, and physical activity (PA) were evaluated at baseline and after 1 year. At baseline, GHD patients showed reduced LV mass (LVM; 63.32 ± 7.80 vs 80.44 ± 26.29 g/m2, P = 0.006), peak oxygen consumption (VO2peak; 22.92 ± 4.80 vs 27.48 ± 6.71 mL/Kg/min, P = 0.02), peak workload (80.62 ± 29.32 vs 103.76 ± 36.20 W, P = 0.02), and O2 pulse (4.93 ± 1.30 vs 7.67 ± 2.93 mL/beat, P = 0.0003), compared with controls. GHD patients also exhibited lower lean body mass (LBM 65.36 ± 7.84% vs 76.13 ± 8.23%, P controls. GH therapy resulted in a significant increase of LVM (72.01 ± 15.88, P = 0.03), VO2peak (26.80 ± 4.97; P = 0.01), peak workload (103.67 ± 32.24, P = 0.001), O2 pulse (6.64 ± 1.68, P = 0.0007), and LBM (75.36 ± 7.59%, P = 0.0001), with a reduction in FM (22.62 ± 7.73%, P = 0.001). No difference was found in either left or right ventricular function. Our results suggest that cardiac structure, body composition and cardiopulmonary functional capacity are impaired in children with untreated GHD and can be restored after short-term GH replacement therapy. Copyright © 2017 Endocrine Society

  9. Damage instability and Earthquake nucleation

    Science.gov (United States)

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

    2017-12-01

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

  10. Heterogeneous ice nucleation

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-12-31

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

  11. Synthesis of unidirectional structures of SiO2-Ag using Au nanoparticles as nucleation centers

    International Nuclear Information System (INIS)

    Villa S, G.; Mendoza A, D.; Gutierrez W, C.; Perez H, R.

    2008-01-01

    This paper reports a method to synthesize Ag unidirectional structures covered with SiO 2 by sol-gel technique using Au nanoparticles as nucleation centers of the unidirectional structures. In the first phase unidirectional structures of SiO 2 -Ag CI are obtained by sol-gel, using TEOS as a precursor of metallic structures (Ag) and the incorporation of Au nanoparticles as nucleation centers for growth of unidirectional structures. In the second stage, one-way systems are subjected to thermal treatment in H 2 atmosphere for obtain AG 0 particles through mechanisms that diffusion and coalescence of silver to form structures that have a thin cover of SiO 2 . Analysis by scanning electron microscopy, transmission and atomic force microscopy allowed to determine the chemical composition and microstructural properties of unidirectional systems SiO 2 -Ag. (Author)

  12. Nucleation in Synoptically Forced Cirrostratus

    Science.gov (United States)

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

    2004-01-01

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

  13. New particle formation in the sulfuric acid–dimethylamine–water system: reevaluation of CLOUD chamber measurements and comparison to an aerosol nucleation and growth model

    Directory of Open Access Journals (Sweden)

    A. Kürten

    2018-01-01

    Full Text Available A recent CLOUD (Cosmics Leaving OUtdoor Droplets chamber study showed that sulfuric acid and dimethylamine produce new aerosols very efficiently and yield particle formation rates that are compatible with boundary layer observations. These previously published new particle formation (NPF rates are reanalyzed in the present study with an advanced method. The results show that the NPF rates at 1.7 nm are more than a factor of 10 faster than previously published due to earlier approximations in correcting particle measurements made at a larger detection threshold. The revised NPF rates agree almost perfectly with calculated rates from a kinetic aerosol model at different sizes (1.7 and 4.3 nm mobility diameter. In addition, modeled and measured size distributions show good agreement over a wide range of sizes (up to ca. 30 nm. Furthermore, the aerosol model is modified such that evaporation rates for some clusters can be taken into account; these evaporation rates were previously published from a flow tube study. Using this model, the findings from the present study and the flow tube experiment can be brought into good agreement for the high base-to-acid ratios (∼ 100 relevant for this study. This confirms that nucleation proceeds at rates that are compatible with collision-controlled (a.k.a. kinetically controlled NPF for the conditions during the CLOUD7 experiment (278 K, 38 % relative humidity, sulfuric acid concentration between 1  ×  106 and 3  ×  107 cm−3, and dimethylamine mixing ratio of ∼  40 pptv, i.e., 1  ×  109 cm−3.

  14. New particle formation in the sulfuric acid-dimethylamine-water system: reevaluation of CLOUD chamber measurements and comparison to an aerosol nucleation and growth model

    Science.gov (United States)

    Kürten, Andreas; Li, Chenxi; Bianchi, Federico; Curtius, Joachim; Dias, António; Donahue, Neil M.; Duplissy, Jonathan; Flagan, Richard C.; Hakala, Jani; Jokinen, Tuija; Kirkby, Jasper; Kulmala, Markku; Laaksonen, Ari; Lehtipalo, Katrianne; Makhmutov, Vladimir; Onnela, Antti; Rissanen, Matti P.; Simon, Mario; Sipilä, Mikko; Stozhkov, Yuri; Tröstl, Jasmin; Ye, Penglin; McMurry, Peter H.

    2018-01-01

    A recent CLOUD (Cosmics Leaving OUtdoor Droplets) chamber study showed that sulfuric acid and dimethylamine produce new aerosols very efficiently and yield particle formation rates that are compatible with boundary layer observations. These previously published new particle formation (NPF) rates are reanalyzed in the present study with an advanced method. The results show that the NPF rates at 1.7 nm are more than a factor of 10 faster than previously published due to earlier approximations in correcting particle measurements made at a larger detection threshold. The revised NPF rates agree almost perfectly with calculated rates from a kinetic aerosol model at different sizes (1.7 and 4.3 nm mobility diameter). In addition, modeled and measured size distributions show good agreement over a wide range of sizes (up to ca. 30 nm). Furthermore, the aerosol model is modified such that evaporation rates for some clusters can be taken into account; these evaporation rates were previously published from a flow tube study. Using this model, the findings from the present study and the flow tube experiment can be brought into good agreement for the high base-to-acid ratios (˜ 100) relevant for this study. This confirms that nucleation proceeds at rates that are compatible with collision-controlled (a.k.a. kinetically controlled) NPF for the conditions during the CLOUD7 experiment (278 K, 38 % relative humidity, sulfuric acid concentration between 1 × 106 and 3 × 107 cm-3, and dimethylamine mixing ratio of ˜ 40 pptv, i.e., 1 × 109 cm-3).

  15. Nucleation and Growth of Cu-Al Intermetallics in Al-Modified Sn-Cu and Sn-Ag-Cu Lead-Free Solder Alloys

    Science.gov (United States)

    Reeve, Kathlene N.; Anderson, Iver E.; Handwerker, Carol A.

    2015-03-01

    Lead-free solder alloys Sn-Cu (SC) and Sn-Ag-Cu (SAC) are widely used by the microelectronics industry, but enhanced control of the microstructure is needed to improve solder performance. For such control, nucleation and stability of Cu-Al intermetallic compound (IMC) solidification catalysts were investigated by variation of the Cu (0.7-3.0 wt.%) and Al (0.0-0.4 wt.%) content of SC + Al and SAC + Al alloys, and of SAC + Al ball-grid array (BGA) solder joints. All of the Al-modified alloys produced Cu-Al IMC particles with different morphologies and phases (occasionally non-equilibrium phases). A trend of increasing Cu-Al IMC volume fraction with increasing Al content was established. Because of solidification of non-equilibrium phases in wire alloy structures, differential scanning calorimetry (DSC) experiments revealed delayed, non-equilibrium melting at high temperatures related to quenched-in Cu-Al phases; a final liquidus of 960-1200°C was recorded. During cooling from 1200°C, the DSC samples had the solidification behavior expected from thermodynamic equilibrium calculations. Solidification of the ternary alloys commenced with formation of ternary β and Cu-Al δ phases at 450-550°C; this was followed by β-Sn, and, finally, Cu6Sn5 and Cu-Al γ1. Because of the presence of the retained, high-temperature phases in the alloys, particle size and volume fraction of the room temperature Cu-Al IMC phases were observed to increase when the alloy casting temperature was reduced from 1200°C to 800°C, even though both temperatures are above the calculated liquidus temperature of the alloys. Preliminary electron backscatter diffraction results seemed to show Sn grain refinement in the SAC + Al BGA alloy.

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

    Science.gov (United States)

    Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

    2018-04-01

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

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

    Science.gov (United States)

    Jreidini, Paul; Kocher, Gabriel; Provatas, Nikolas

    2018-04-01

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

  18. Understanding nanoparticle-mediated nucleation pathways of anisotropic nanoparticles

    Science.gov (United States)

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

    2017-09-01

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

  19. Mode I and Mode II Interlaminar Crack Growth Resistances of Ceramic Matrix Composites at Ambient Temperature

    National Research Council Canada - National Science Library

    Choi, Sung R; Kowalik, Robert W; Alexander, Donald J

    2007-01-01

    ...) including three gas-turbine grade melt-infiltrated SiC/SiC composites. Modes I and II crack growth resistances, GI and GII, were evaluated at ambient temperature using double cantilever beam and end notched flexure methods, respectively...

  20. Modelling Eutectic Growth in Unmodified and Modified Near-Eutectic Al-Si Alloy

    DEFF Research Database (Denmark)

    Tiedje, Niels Skat; Hattel, Jesper Henri; Taylor, John A.

    2013-01-01

    growth parameters from the literature that depend on the type of modification (unmodified, Na-modified or Sr-modified) are used to describe differences in growth of the alloys. Modelling results are compared with solidification experiments where an Al-12.5wt%Si alloy was cast in unmodified, Na modified......A numerical model that describes solidification of primary aluminium grains and nucleation and growth of eutectic cells is used to analyse the solidification of an Al-12.5wt% Si alloy. Nucleation of eutectic cells is modelled using an Oldfield-type nucleation model where the number of nuclei...... and Sr modified forms. The model confirms experimental observations of how modification and alloy composition influence nucleation, growth and finally the size of eutectic cells in the alloys. Modelling results are used to explain how cooling conditions in the casting act together with the nuclei density...

  1. NUCLEATION STUDIES OF GOLD ON CARBON ELECTRODES

    Directory of Open Access Journals (Sweden)

    S. SOBRI

    2008-04-01

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

  2. Temperature Dependence in Homogeneous and Heterogeneous Nucleation

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-08-01

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

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

    International Nuclear Information System (INIS)

    Sultan, M.; Judd, R.L.

    1983-01-01

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

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

    Directory of Open Access Journals (Sweden)

    I. K. Ortega

    2008-06-01

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

  5. Quantifying the Effect of Stress on Sn Whisker Nucleation Kinetics

    Science.gov (United States)

    Chason, Eric; Vasquez, Justin; Pei, Fei; Jain, Nupur; Hitt, Andrew

    2018-01-01

    Although Sn whiskers have been studied extensively, there is still a need to understand the driving forces behind whisker nucleation and growth. Many studies point to the role of stress, but confirming this requires a quantitative comparison between controlled stress and the resulting whisker evolution. Recent experimental studies applied stress to a Sn layer via thermal cycling and simultaneously monitored the evolution of the temperature, stress and number of nuclei. In this work, we analyze these nucleation kinetics in terms of classical nucleation theory to relate the observed behavior to underlying mechanisms including a stress dependent activation energy and a temperature and stress-dependent whisker growth rate. Non-linear least squares fitting of the data taken at different temperatures and strain rates to the model shows that the results can be understood in terms of stress decreasing the barrier for whisker nucleation.

  6. Adherent nanoparticles-mediated micro- and nanobubble nucleation

    Science.gov (United States)

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

    2014-11-01

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

  7. Dual growth factor delivery from bilayered, biodegradable hydrogel composites for spatially-guided osteochondral tissue repair

    NARCIS (Netherlands)

    Lu, S.; Lam, J.; Trachtenberg, J.E.; Lee, E.J.; Seyednejad, H.; van den Beucken, J.J.; Tabata, Y.; Wong, M.E.; Jansen, J.A.; Mikos, A.G.; Kasper, F.K.

    2014-01-01

    The present work investigated the use of biodegradable hydrogel composite scaffolds, based on the macromer oligo(poly(ethylene glycol) fumarate) (OPF), to deliver growth factors for the repair of osteochondral tissue in a rabbit model. In particular, bilayered OPF composites were used to mimic the

  8. Bone Mineral Density and Body Composition in Adolescents with Childhood-Onset Growth Hormone Deficiency

    NARCIS (Netherlands)

    Boot, Annemieke M.; van der Sluis, Inge M.; Krenning, Eric P.; Keizer-Schrama, Sabine M. P. F. de Muinck

    2009-01-01

    Background/Aims: The aim of the present study was to evaluate bone mineral density (BMD) and body composition of patients with childhood-onset growth hormone (GH) deficiency (GHD) treated with GH during the transition period. Methods: BMD and body composition, measured by dual-energy X-ray

  9. Nucleation phenomena at Suzuki phases

    International Nuclear Information System (INIS)

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

    1982-01-01

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

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

    Science.gov (United States)

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

    2016-04-01

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

  11. [The characteristics of chemical composition of content of unicameral bone cysts depending on their growth stage].

    Science.gov (United States)

    Stogov, M V; Luneva, S N; Mitrofanov, A I; Tkachuk, E A

    2012-11-01

    The article deals with the results of study of chemical composition of solitary cysts and blood serum of 27 patients. The results demonstrated that qualitative composition of f content of unicameral bone cysts is identical to chemical composition of blood serum. The results of analysis of total proteolysis activity and acid phosphatase activity in content of cysts can be used as criteria to determine the stage of cyst growth and to evaluate the effectiveness of applied treatment.

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

    Science.gov (United States)

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

    2018-04-01

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

  13. Effect of strain on surface diffusion and nucleation

    DEFF Research Database (Denmark)

    Brune, Harald; Bromann, Karsten; Röder, Holger

    1995-01-01

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

  14. Nucleate boiling heat transfer

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-07-01

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

  15. Nucleate boiling heat transfer

    International Nuclear Information System (INIS)

    Saiz Jabardo, J.M.

    2009-01-01

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

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

    Science.gov (United States)

    Knopf, Daniel A; Rigg, Yannick J

    2011-02-10

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

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

    Directory of Open Access Journals (Sweden)

    Keita Ino

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

  18. Cell Wall Composition, Biosynthesis and Remodeling during Pollen Tube Growth

    Directory of Open Access Journals (Sweden)

    Jean-Claude Mollet

    2013-03-01

    Full Text Available The pollen tube is a fast tip-growing cell carrying the two sperm cells to the ovule allowing the double fertilization process and seed setting. To succeed in this process, the spatial and temporal controls of pollen tube growth within the female organ are critical. It requires a massive cell wall deposition to promote fast pollen tube elongation and a tight control of the cell wall remodeling to modify the mechanical properties. In addition, during its journey, the pollen tube interacts with the pistil, which plays key roles in pollen tube nutrition, guidance and in the rejection of the self-incompatible pollen. This review focuses on our current knowledge in the biochemistry and localization of the main cell wall polymers including pectin, hemicellulose, cellulose and callose from several pollen tube species. Moreover, based on transcriptomic data and functional genomic studies, the possible enzymes involved in the cell wall remodeling during pollen tube growth and their impact on the cell wall mechanics are also described. Finally, mutant analyses have permitted to gain insight in the function of several genes involved in the pollen tube cell wall biosynthesis and their roles in pollen tube growth are further discussed.

  19. Comparison of optical transients during the picosecond laser pulse-induced crystallization of GeSbTe and AgInSbTe phase-change thin films: Nucleation-driven versus growth-driven processes

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Guangfei [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Li, Simian [State Key Laboratory of Optoelectronic Materials and Technology, Department of Physics, Sun Yat-Sen University, Guangzhou 510275 (China); Huang, Huan [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Wang, Yang, E-mail: ywang@siom.ac.cn [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Lai, Tianshu, E-mail: stslts@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technology, Department of Physics, Sun Yat-Sen University, Guangzhou 510275 (China); Wu, Yiqun [Key Laboratory of High Power Laser Materials, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China)

    2013-09-01

    Direct comparison of the real-time in-situ crystallization behavior of as-deposited amorphous Ge{sub 2}Sb{sub 2}Te{sub 5} (GeSbTe) and Ag{sub 8}In{sub 14}Sb{sub 55}Te{sub 23} (AgInSbTe) phase-change thin films driven by picosecond laser pulses was performed by a time-resolved optical pump-probe technique with nanosecond resolution. Different optical transients showed various crystallization processes because of the dissimilar nucleation- and growth-dominated mechanisms of the two materials. The effects of laser pulse fluence, thermal conductive structure, and successive pulse irradiation on their crystallization dynamics were also discussed. A schematic was then established to describe the different crystallization processes beginning from the as-deposited amorphous state. The results may provide further insight into the phase-change mechanism under extra-non-equilibrium conditions and aid the development of ultrafast phase-change memory materials.

  20. Peat soil composition as indicator of plants growth environment

    Science.gov (United States)

    Noormets, M.; Tonutare, T.; Kauer, K.; Szajdak, L.; Kolli, R.

    2009-04-01

    Exhausted milled peat areas have been left behind as a result of decades-lasting intensive peat production in Estonia and Europe. According to different data there in Estonia is 10 000 - 15 000 ha of exhausted milled peat areas that should be vegetated. Restoration using Sphagnum species is most advantageous, as it creates ecological conditions closest to the natural succession towards a natural bog area. It is also thought that the large scale translocation of vegetation from intact bogs, as used in some Canadian restoration trials, is not applicable in most of European sites due to limited availability of suitable donor areas. Another possibility to reduce the CO2 emission in these areas is their use for cultivation of species that requires minimum agrotechnical measures exploitation. It is found by experiments that it is possible to establish on Vaccinium species for revegetation of exhausted milled peat areas. Several physiological activity of the plant is regulated by the number of phytohormones. These substances in low quantities move within the plant from a site of production to a site of action. Phytohormone, indole-3-acetic acid (IAA) is formed in soils from tryptophane by enzymatic conversion. This compound seems to play an important function in nature as result to its influence in regulation of plant growth and development. A principal feature of IAA is its ability to affect growth, development and health of plants. This compound activates root morphology and metabolic changes in the host plant. The physiological impact of this substance is involved in cell elongation, apical dominance, root initiation, parthenocarpy, abscission, callus formation and the respiration. The investigation areas are located in the county of Tartu (58˚ 22' N, 26˚ 43' E), in the southern part of Estonia. The soil of the experimental fields belongs according to the WRB soil classification, to the soils subgroups of Fibri-Dystric Histosols. The investigation areas were

  1. Growth and Puberty in Obese Children and Implications of Body Composition

    Directory of Open Access Journals (Sweden)

    Sochung Chung

    2017-12-01

    Full Text Available Childhood obesity is a major public health concern throughout the world. Nutrition, energy balance and hormones interplay in growth and pubertal development regulation. Frequently overweight and obese children are taller for their age and sex and tend to mature earlier than lean children. The increased leptin and sex hormone levels seen in obese children with excessive adiposity may be implicated in accelerated pubertal growth and accelerated epiphyseal growth plate maturation. Efforts to detect the impact of obesity in children are needed to prevent metabolic and cardiovascular disease in later life. This review aims to cover the process of growth in obese children and implications of body composition on growth and pubertal development and introduce the use of body composition charts in clinical practice.

  2. Homogeneous versus heterogeneous zeolite nucleation

    NARCIS (Netherlands)

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

    1995-01-01

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

  3. On Capillary Rise and Nucleation

    Science.gov (United States)

    Prasad, R.

    2008-01-01

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

  4. Theory and Simulation of Nucleation

    NARCIS (Netherlands)

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

    2009-01-01

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

  5. Variation in aerosol nucleation and growth in coal-fired power plant plumes due to background aerosol, meteorology and emissions: sensitivity analysis and parameterization.

    Science.gov (United States)

    Stevens, R. G.; Lonsdale, C. L.; Brock, C. A.; Reed, M. K.; Crawford, J. H.; Holloway, J. S.; Ryerson, T. B.; Huey, L. G.; Nowak, J. B.; Pierce, J. R.

    2012-04-01

    New-particle formation in the plumes of coal-fired power plants and other anthropogenic sulphur sources may be an important source of particles in the atmosphere. It remains unclear, however, how best to reproduce this formation in global and regional aerosol models with grid-box lengths that are 10s of kilometres and larger. The predictive power of these models is thus limited by the resultant uncertainties in aerosol size distributions. In this presentation, we focus on sub-grid sulphate aerosol processes within coal-fired power plant plumes: the sub-grid oxidation of SO2 with condensation of H2SO4 onto newly-formed and pre-existing particles. Based on the results of the System for Atmospheric Modelling (SAM), a Large-Eddy Simulation/Cloud-Resolving Model (LES/CRM) with online TwO Moment Aerosol Sectional (TOMAS) microphysics, we develop a computationally efficient, but physically based, parameterization that predicts the characteristics of aerosol formed within coal-fired power plant plumes based on parameters commonly available in global and regional-scale models. Given large-scale mean meteorological parameters, emissions from the power plant, mean background condensation sink, and the desired distance from the source, the parameterization will predict the fraction of the emitted SO2 that is oxidized to H2SO4, the fraction of that H2SO4 that forms new particles instead of condensing onto preexisting particles, the median diameter of the newly-formed particles, and the number of newly-formed particles per kilogram SO2 emitted. We perform a sensitivity analysis of these characteristics of the aerosol size distribution to the meteorological parameters, the condensation sink, and the emissions. In general, new-particle formation and growth is greatly reduced during polluted conditions due to the large preexisting aerosol surface area for H2SO4 condensation and particle coagulation. The new-particle formation and growth rates are also a strong function of the

  6. Bulk liquid undercooling and nucleation in nickel

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-07-01

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

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

    Science.gov (United States)

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

    2017-04-04

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

  8. Theoretical Studies Of Nucleation Kinetics And Nanodroplet Microstructure

    International Nuclear Information System (INIS)

    Wilemski, Gerald

    2009-01-01

    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.

  9. Nucleation Characteristics in Physical Experiments/explosions

    International Nuclear Information System (INIS)

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

    1976-01-01

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

  10. Effect of parathyroidectomy on bone growth and composition in the young rat

    Science.gov (United States)

    Keil, L. C.; Prinz, J. A.; Evans, J. W.

    1974-01-01

    In an effort to determine the influence of the parathyroids on bone growth and composition, 28-day-old male Sprague-Dawley rats were sacrificed 28, 56, and 84 days after parathyroidectomy or sham parathyroidectomy. Body growth as well as femur growth were retarded following parathyroidectomy. Hypocalcemia and hyperphosphatemia occurred in all parathyroidectomized rats; no alterations in plasma magnesium levels were noted. Femur magnesium was increased by 22-30% in the parathyroidectomized rats whereas femur calcium remained unchanged. Bone phosphorus was increased 56 and 84 days following parathyroidectomy. Results of this study indicate that parathyroidectomy retards growth while increasing bone magnesium and phosphorus content.

  11. Crystal nucleation in metallic alloys using x-ray radiography and machine learning

    Science.gov (United States)

    Arteta, Carlos; Lempitsky, Victor

    2018-01-01

    The crystallization of solidifying Al-Cu alloys over a wide range of conditions was studied in situ by synchrotron x-ray radiography, and the data were analyzed using a computer vision algorithm trained using machine learning. The effect of cooling rate and solute concentration on nucleation undercooling, crystal formation rate, and crystal growth rate was measured automatically for thousands of separate crystals, which was impossible to achieve manually. Nucleation undercooling distributions confirmed the efficiency of extrinsic grain refiners and gave support to the widely assumed free growth model of heterogeneous nucleation. We show that crystallization occurred in temporal and spatial bursts associated with a solute-suppressed nucleation zone. PMID:29662954

  12. A study on Z-phase nucleation in martensitic chromium steels

    DEFF Research Database (Denmark)

    Golpayegani, Ardeshir; Andrén, Hans-Olof; Danielsen, Hilmar Kjartansson

    2008-01-01

    , initial stages of precipitation of Z-phase have been studied and characterized using energy-filtered transmission electron microscopy (EFTEM). Vanadium nitrides were found to provide the most suitable nucleation site for Z-phase, since the misfit between the (0 0 1) planes of VN and Z-phase is very small....... Furthermore, such a nucleation site would provide vanadium and nitrogen for the growth of Z-phase. The presence of niobium carbide has also been observed close to Z-phase nucleation sites, indicating niobium to be important for the nucleation and growth of Z-phase....

  13. Modelling the effect of acoustic waves on nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Haqshenas, S. R., E-mail: seyyed.haqshenas.12@ucl.ac.uk; Saffari, N., E-mail: n.saffari@ucl.ac.uk [Department of Mechanical Engineering, University College London, Gower Street, London WC1E 7JE (United Kingdom); Ford, I. J., E-mail: i.ford@ucl.ac.uk [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)

    2016-07-14

    A phase transformation in a metastable phase can be affected when it is subjected to a high intensity ultrasound wave. In this study we determined the effect of oscillation in pressure and temperature on a phase transformation using the Gibbs droplet model in a generic format. The developed model is valid for both equilibrium and non-equilibrium clusters formed through a stationary or non-stationary process. We validated the underlying model by comparing the predicted kinetics of water droplet formation from the gas phase against experimental data in the absence of ultrasound. Our results demonstrated better agreement with experimental data in comparison with classical nucleation theory. Then, we determined the thermodynamics and kinetics of nucleation and the early stage of growth of clusters in an isothermal sonocrystallisation process. This new contribution shows that the effect of pressure on the kinetics of nucleation is cluster size-dependent in contrast to classical nucleation theory.

  14. First nucleation steps of nickel nanoparticle growth on Al2O3 (0 0 0 1) studied by XPS inelastic peak shape analysis

    International Nuclear Information System (INIS)

    Gallardo-Vega, C.; De La Cruz, W.; Tougaard, S.; Cota-Araiza, L.

    2008-01-01

    A series of Ni nanoparticles has been deposited on sapphire (Al 2 O 3 (0 0 0 1)) substrates using the pulsed laser deposition technique. The amount of material deposited has been controlled by means of the number of laser pulses utilized. The substrate temperature was varied from room temperature to 500 deg. C. The nanoparticles deposited were characterized in situ by X-ray photoelectron spectroscopy. The inelastic peak shape of O 1s was analyzed to obtain the mode of growth of the Ni nanoparticles. The results show the height of the Ni nanoparticles increases with deposition from ∼1 to 9 nm and the surface coverage increased simultaneously from ∼0.1 to 0.85. For 200 or more laser pulses, as the substrate temperature increased (300-500 deg. C) the height of the nanoparticles increased. On the other hand, the coverage always decreased as a function of substrate temperature. This implies that the mobility of the deposited Ni increases with substrate temperature thus forming taller islands with corresponding smaller coverage

  15. First nucleation steps of nickel nanoparticle growth on Al{sub 2}O{sub 3} (0 0 0 1) studied by XPS inelastic peak shape analysis

    Energy Technology Data Exchange (ETDEWEB)

    Gallardo-Vega, C. [Centro de Investigacion Cientifica y de Educacion Superior de Ensenada (CICESE), Km 107 Carretera Tijuana-Ensenada, C.P. 22860, Ensenada, B.C. (Mexico)], E-mail: gallardo@cnyn.unam.mx; De La Cruz, W. [Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, Km 107 Carretera Tijuana-Ensenada, C.P. 22860, Ensenada, B.C. (Mexico); Tougaard, S. [Department of Physics and Chemistry, University of Southern Denmark, DK-5230, Odense M (Denmark); Cota-Araiza, L. [Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, Km 107 Carretera Tijuana-Ensenada, C.P. 22860, Ensenada, B.C. (Mexico)

    2008-12-30

    A series of Ni nanoparticles has been deposited on sapphire (Al{sub 2}O{sub 3} (0 0 0 1)) substrates using the pulsed laser deposition technique. The amount of material deposited has been controlled by means of the number of laser pulses utilized. The substrate temperature was varied from room temperature to 500 deg. C. The nanoparticles deposited were characterized in situ by X-ray photoelectron spectroscopy. The inelastic peak shape of O 1s was analyzed to obtain the mode of growth of the Ni nanoparticles. The results show the height of the Ni nanoparticles increases with deposition from {approx}1 to 9 nm and the surface coverage increased simultaneously from {approx}0.1 to 0.85. For 200 or more laser pulses, as the substrate temperature increased (300-500 deg. C) the height of the nanoparticles increased. On the other hand, the coverage always decreased as a function of substrate temperature. This implies that the mobility of the deposited Ni increases with substrate temperature thus forming taller islands with corresponding smaller coverage.

  16. Contrasting growth responses of dominant peatland plants to warming and vegetation composition.

    Science.gov (United States)

    Walker, Tom N; Ward, Susan E; Ostle, Nicholas J; Bardgett, Richard D

    2015-05-01

    There is growing recognition that changes in vegetation composition can strongly influence peatland carbon cycling, with potential feedbacks to future climate. Nevertheless, despite accelerated climate and vegetation change in this ecosystem, the growth responses of peatland plant species to combined warming and vegetation change are unknown. Here, we used a field warming and vegetation removal experiment to test the hypothesis that dominant species from the three plant functional types present (dwarf-shrubs: Calluna vulgaris; graminoids: Eriophorum vaginatum; bryophytes: Sphagnum capillifolium) contrast in their growth responses to warming and the presence or absence of other plant functional types. Warming was accomplished using open top chambers, which raised air temperature by approximately 0.35 °C, and we measured air and soil microclimate as potential mechanisms through which both experimental factors could influence growth. We found that only Calluna growth increased with experimental warming (by 20%), whereas the presence of dwarf-shrubs and bryophytes increased growth of Sphagnum (46%) and Eriophorum (20%), respectively. Sphagnum growth was also negatively related to soil temperature, which was lower when dwarf-shrubs were present. Dwarf-shrubs may therefore promote Sphagnum growth by cooling the peat surface. Conversely, the effect of bryophyte presence on Eriophorum growth was not related to any change in microclimate, suggesting other factors play a role. In conclusion, our findings reveal contrasting abiotic and biotic controls over dominant peatland plant growth, suggesting that community composition and carbon cycling could be modified by simultaneous climate and vegetation change.

  17. Evaluation of growth of calcium phosphate ceramics on sintered Ti-Ca-P composites

    Energy Technology Data Exchange (ETDEWEB)

    Karanjai, Malobika [Centre for Nano Materials, International Advanced Research Centre for Powder Metallurgy and New Materials, Balapur P.O, Hyderabad - 500 005, Andhra Pradesh (India)], E-mail: malobika_k@rediffmail.com; Sundaresan, Ranganathan [Centre for Nano Materials, International Advanced Research Centre for Powder Metallurgy and New Materials, Balapur P.O, Hyderabad - 500 005, Andhra Pradesh (India); Mohan, Tallapragada Raja Rama; Kashyap, Bhagwati Prasad [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Mumbai - 400 076, Maharashtra (India)

    2008-12-01

    Sintered Ti-Ca-P composites having in situ formed calcium phosphate phases developed by powder metallurgy processing were soaked for 28 days in simulated body fluid (SBF) with a pH of 7.4 at 37 deg. C and evaluated for the growth of calcium phosphate ceramics onto its surface. The composites were taken out once every 7 days and characterised using X-ray diffraction (XRD), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR) for evaluating the Ca-P growth. Based on the change in chemistry of the SBF and phase contents, a model has been proposed for mechanism of growth of calcium phosphate compounds on sintered Ti-Ca-P composites immersed in SBF.

  18. Accelerated Aging Experiments for Prognostics of Damage Growth in Composite Materials

    Science.gov (United States)

    2011-09-01

    builds on current understanding of fault modes in composites. This paper investigates faults in laminated ply composites. Such structures mainly...experiments where intermittent ground truth and in-situ characteristics are collected. Growth patterns are analyzed for damage types typical of laminated ...2: [0/902/45/-45/90], and Layup 3: [902/45/-45]2. Torayca T700G uni-directional carbon- prepreg material was used for 15.24 cm x 25.4 cm coupons with

  19. Protein crystal nucleation in pores.

    Science.gov (United States)

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

    2017-01-16

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

  20. Carbohydrate composition of compost during composting and mycelium growth of Agaricus bisporus.

    Science.gov (United States)

    Jurak, Edita; Kabel, Mirjam A; Gruppen, Harry

    2014-01-30

    Changes of plant cell wall carbohydrate structures occurring during the process to make suitable compost for growth of Agaricus bisporus are unknown. In this paper, composition and carbohydrate structures in compost samples collected during composting and mycelium growth were analyzed. Furthermore, different extracts of compost samples were prepared with water, 1M and 4M alkali and analyzed. At the beginning of composting, 34% and after 16 days of mycelium growth 27% of dry matter was carbohydrates. Carbohydrate composition analysis showed that mainly cellulose and poorly substituted xylan chains with similar amounts and ratios of xylan building blocks were present in all phases studied. Nevertheless, xylan solubility increased 20% over the period of mycelium growth indicating partial degradation of xylan backbone. Apparently, degradation of carbohydrates occurred over the process studied by both bacteria and fungi, mainly having an effect on xylan-chain length and solubility. Copyright © 2013 Elsevier Ltd. All rights reserved.

  1. New evaluation method of crack growth in SiC/SiC composites using interface elements

    International Nuclear Information System (INIS)

    Serizawa, H.; Ando, M.; Lewinsohn, C.A.; Murakawa, H.

    2000-01-01

    Crack propagation behavior in SiC/SiC composites was analyzed using a new computer simulation method that included time-dependent interface elements. The simulation method was used to describe the time-dependent crack growth in SiC/SiC composites under four-point bending of single-edge-notched beam bend-bars. Two methods were used to simulate time-dependent crack growth in SiC/SiC composites due to fiber creep. In one method, the creep property was introduced into the interface elements by the general method of finite element method (FEM) analysis. In the second method, a new technique making the best use of the potential function was used to represent crack closure tractions due to creeping fibers. The stage-II slow crack growth of a general creep deformation was simulated by both methods. Additionally, stage-III crack growth and the transition from stage-II to stage-III could be simulated by the new method. The new method has the potential to completely simulate time-dependent crack growth behavior in SiC/SiC composites due to fiber creep

  2. Climate Impacts of Ice Nucleation

    Science.gov (United States)

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

    2012-01-01

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

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

    International Nuclear Information System (INIS)

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

    1979-01-01

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

  4. Controlling the crystal polymorph by exploiting the time dependence of nucleation rates.

    Science.gov (United States)

    Little, Laurie J; King, Alice A K; Sear, Richard P; Keddie, Joseph L

    2017-10-14

    Most substances can crystallise into two or more different crystal lattices called polymorphs. Despite this, there are no systems in which we can quantitatively predict the probability of one competing polymorph forming instead of the other. We address this problem using large scale (hundreds of events) studies of the competing nucleation of the alpha and gamma polymorphs of glycine. In situ Raman spectroscopy is used to identify the polymorph of each crystal. We find that the nucleation kinetics of the two polymorphs is very different. Nucleation of the alpha polymorph starts off slowly but accelerates, while nucleation of the gamma polymorph starts off fast but then slows. We exploit this difference to increase the purity with which we obtain the gamma polymorph by a factor of ten. The statistics of the nucleation of crystals is analogous to that of human mortality, and using a result from medical statistics, we show that conventional nucleation data can say nothing about what, if any, are the correlations between competing nucleation processes. Thus we can show that with data of our form it is impossible to disentangle the competing nucleation processes. We also find that the growth rate and the shape of a crystal depend on it when nucleated. This is new evidence that nucleation and growth are linked.

  5. Metadynamics studies of crystal nucleation

    Science.gov (United States)

    Giberti, Federico; Salvalaglio, Matteo; Parrinello, Michele

    2015-01-01

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

  6. Metadynamics studies of crystal nucleation

    Directory of Open Access Journals (Sweden)

    Federico Giberti

    2015-03-01

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

  7. Review: The nucleation of disorder

    International Nuclear Information System (INIS)

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

    1986-01-01

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

  8. Growth and body composition of Peruvian infants in a periurban setting.

    Science.gov (United States)

    Iannotti, Lora L; Zavaleta, Nelly; León, Zulema; Caulfield, Laura E

    2009-09-01

    Previous growth studies of Peruvian children have featured high stunting rates and limited information about body composition. We aimed to characterize anthropometric measures of Peruvian infants 0 to 12 months of age in relation to the international growth references and biological, environmental, and socioeconomic factors. Infants (n = 232) were followed longitudinally from birth through 12 months of age from a prenatal zinc supplementation trial conducted in Lima, Peru, between 1995 and 1997. Anthropometric measures of growth and body composition were obtained at enrollment from mothers and monthly through 1 year of age from infants. Weekly morbidity and dietary intake surveillance was carried out during the second half of infancy. The prevalence rates of stunting, underweight, and wasting did not exceed 4% based on the World Health Organization growth references. Infants of mothers from high-altitude regions had larger chest circumference (p = .006) and greater length (p = .06) by 12 months. Significant predictors of growth and body composition throughout infancy were age, sex, anthropometric measurements at birth, breastfeeding, maternal anthropometric measurements, primiparity, prevalence of diarrhea among children, and the altitude of the region of maternal origin. No associations were found for maternal education, asset ownership, or sanitation and hygiene factors. Peruvian infants in this urban setting had lower rates of stunting than expected. Proximal and familial conditions influenced growth throughout infancy.

  9. Growth and body composition of Peruvian infants in a periurban setting

    Science.gov (United States)

    Iannotti, Lora L.; Zavaleta, Nelly; León, Zulema; Caulfield, Laura E.

    2010-01-01

    Background Previous growth studies of Peruvian children have featured high stunting rates and limited information about body composition. Objective We aimed to characterize anthropometric measures of Peruvian infants 0 to 12 months of age in relation to the international growth references and biological, environmental, and socioeconomic factors. Methods Infants (n = 232) were followed longitudinally from birth through 12 months of age from a prenatal zinc supplementation trial conducted in Lima, Peru, between 1995 and 1997. Anthropometric measures of growth and body composition were obtained at enrollment from mothers and monthly through 1 year of age from infants. Weekly morbidity and dietary intake surveillance was carried out during the second half of infancy. Results The prevalence rates of stunting, underweight, and wasting did not exceed 4% based on the World Health Organization growth references. Infants of mothers from high-altitude regions had larger chest circumference (p = .006) and greater length (p = .06) by 12 months. Significant predictors of growth and body composition throughout infancy were age, sex, anthropometric measurements at birth, breastfeeding, maternal anthropometric measurements, primiparity, prevalence of diarrhea among children, and the altitude of the region of maternal origin. No associations were found for maternal education, asset ownership, or sanitation and hygiene factors. Conclusions Peruvian infants in this urban setting had lower rates of stunting than expected. Proximal and familial conditions influenced growth throughout infancy. PMID:19927604

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

    Science.gov (United States)

    Emmerich, H.

    2009-11-01

    about the dominant contributions to the nucleation barrier for heterogeneous nucleation, as they can be obtained from molecular simulations, be reconciled with results obtained via the phase-field method? What is the relation between interaction potentials and the relevant boundary energies? Transition from nucleus to microstructure: how does a microstructure develop out of a nucleus in the interplay between crystallization and segregation depending on the precise reference point in the phase diagram? How stable are those scenarios with respect to changes of that reference point? How well can these scenarios be reproduced via binary colloidal model systems? Microstructure development: what kind of consequences result from the new understanding of nucleation for the initial development of the microstructure? What kind of kinetic rules does the initial growth of the solidifying microstructure follow? Is it possible to identify conditions under which several microscopic morphologies of the same alloy composition are kinetically stable? This issue is organized as follows: it starts with three sections, where the main focus is on theoretical and simulation based advances beginning with the methods at the lowest scale, i.e. with a section on density functional theory and phase-field crystal method based contributions. This section is succeeded by a section devoted to the investigations of the molecular modelling groups inside the Priority Program, and a subsequent one on phase-field simulation. Sections 4, 5 and 6 are devoted to articles with a main focus on experimental contributions for the metallic and the colloidal systems and finally a section on applications. It is important to have in mind the term 'main focus' with an emphasis on main when reflecting this devision due to the interdisciplinary nature of the research reported here, which can already be seen in the articles as well. References [1] Chernov A A 1984 Modern Crystallography III-Crystal Growth (Berlin

  11. Crystallization and Growth of Colloidal Nanocrystals

    CERN Document Server

    Leite, Edson Roberto

    2012-01-01

    Since the size, shape, and microstructure of nanocrystalline materials strongly impact physical and chemical properties, the development of new synthetic routes to  nanocrystals with controlled composition and morphology is a key objective of the nanomaterials community. This objective is dependent on control of the nucleation and growth mechanisms that occur during the synthetic process, which in turn requires a fundamental understanding of both classical nucleation and growth and non-classical growth processes in nanostructured materials.  Recently, a novel growth process called Oriented Attachment (OA) was identified which appears to be a fundamental mechanism during the development of nanoscale  materials. OA is a special case of aggregation that provides an important route by which nanocrystals grow, defects are formed, and unique—often symmetry-defying—crystal morphologies can be produced. This growth mechanism involves reversible self-assembly of primary nanocrystals followed by reorientati...

  12. Associations of infant feeding and timing of linear growth and relative weight gain during early life with childhood body composition

    NARCIS (Netherlands)

    de Beer, M.; Vrijkotte, T. G. M.; Fall, C. H. D.; van Eijsden, M.; Osmond, C.; Gemke, R. J. B. J.

    2015-01-01

    Growth and feeding during infancy have been associated with later life body mass index. However, the associations of infant feeding, linear growth and weight gain relative to linear growth with separate components of body composition remain unclear. Of 5551 children with collected growth and

  13. Computer simulation of chemical nucleation

    International Nuclear Information System (INIS)

    Turner, J.S.

    1979-01-01

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

  14. Understanding mixed-mode cyclic fatigue delamination growth in unidirectional composites : An experimental approach

    NARCIS (Netherlands)

    Amaral, L.; Alderliesten, R.C.; Benedictus, R.

    2017-01-01

    Due to the lack of fundamental knowledge of the physics behind delamination growth, certification authorities currently require that composite structures in aircraft are designed such that any delamination will not grow. This usually leads to an overdesign of the structure, hampering weight

  15. Bone mineral density and body composition in Noonan's syndrome: effects of growth hormone treatment

    NARCIS (Netherlands)

    Noordam, C.; Span, J.; van Rijn, R. R.; Gomes-Jardin, E.; van Kuijk, C.; Otten, B. J.

    2002-01-01

    We assessed bone mineral density (BMD) and body composition in children with Noonan's syndrome (NS) before and during growth hormone (GH) treatment. Sixteen children (12 boys, 4 girls) with NS aged 5.8-14.2 (mean 10.0) years were studied for 2 years. Anthropometry, BMD measurements by radiographic

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

    Science.gov (United States)

    Buell, Alexander K

    2017-01-01

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

  17. Early nutrition and its effect on growth, body composition, and later obesity

    DEFF Research Database (Denmark)

    Lind, Mads Vendelbo; Larnkjær, Anni; Mølgaard, Christian

    2017-01-01

    , intervention studies, and studies focusing on the potential mechanisms behind associations between early nutrition and different aspects of growth. There has been a special interest in factors with potential mediating effects between early nutrition and later growth such as growth factors and growth-related......Early nutrition is an important factor regulating both early and long-term growth and body composition, and therefore has important effects on the risk of later overweight and obesity. There is a lot of activity within this research area with a wealth of publications including observational studies...... hormones, appetite-related hormones, and factors with a potential programming effect, e.g., epigenetic programming. For this short review we have included 11 papers which we found of special interest published during the period from July 1, 2015 to June 30, 2016. We have chosen to focus mainly on 2 areas...

  18. Bacterial growth, flow, and mixing shape human gut microbiota density and composition.

    Science.gov (United States)

    Arnoldini, Markus; Cremer, Jonas; Hwa, Terence

    2018-03-13

    The human gut microbiota is highly dynamic, and host physiology and diet exert major influences on its composition. In our recent study, we integrated new quantitative measurements on bacterial growth physiology with a reanalysis of published data on human physiology to build a comprehensive modeling framework. This can generate predictions of how changes in different host factors influence microbiota composition. For instance, hydrodynamic forces in the colon, along with colonic water absorption that manifests as transit time, exert a major impact on microbiota density and composition. This can be mechanistically explained by their effect on colonic pH which directly affects microbiota competition for food. In this addendum, we describe the underlying analysis in more detail. In particular, we discuss the mixing dynamics of luminal content by wall contractions and its implications for bacterial growth and density, as well as the broader implications of our insights for the field of gut microbiota research.

  19. Early nutrition and its effect on growth, body composition and later obesity

    DEFF Research Database (Denmark)

    Eriksen, Kamilla Gehrt; Lind, Mads Vendelbo; Larnkjær, Anni

    2018-01-01

    and body composition as outcome measures in countries where obesity and related diseases in later life is a large public health problem. For this short review, we have included 10 publications on the topic of early nutrition and its effect on growth, body composition, and later obesity. We think these 10......Adequate nutrition in the first 2 years of life is essential for both short- and long-term health. Malnutrition in the early years of life increases the risk of later chronic diseases. There is a wealth of studies available within this area of research, and this chapter specifically looks at growth...... included publications, published during the period of July 1, 2016 to June 30, 2017, are of special interest and all present findings can shape future research on this topic. We have chosen to focus on 3 key areas in this review; (i) human milk composition, including studies on breast milk minerals...

  20. Suppression of saturated nucleate boiling by forced convective flow

    International Nuclear Information System (INIS)

    Bennett, D.L.; Davis, M.W.; Hertzler, B.L.

    1980-01-01

    Tube-side forced convective boiling nitrogen and oxygen and thin film shell-side forced convective boiling R-11 data demonstrate a reduction in the heat transfer coefficient associated with nucleate boiling as the two-phase friction pressure drop increases. Techniques proposed in the literature to account for nucleate boiling during forced convective boiling are discussed. The observed suppression of nucleate boiling for the tube-side data is compared against the Chen correlation. Although general agreement is exhibited, supporting the interactive heat transfer mechanism theory, better agreement is obtained by defining a bubble growth region within the thermal boundary layer. The data suggests that the size of the bubble growth region is independent of the friction drop, but is only a function of the physical properties of the boiling liquid. 15 refs

  1. Clustering of amines and hydrazines in atmospheric nucleation

    Science.gov (United States)

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

    2016-06-01

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

  2. Remnant trees affect species composition but not structure of tropical second-growth forest.

    Science.gov (United States)

    Sandor, Manette E; Chazdon, Robin L

    2014-01-01

    Remnant trees, spared from cutting when tropical forests are cleared for agriculture or grazing, act as nuclei of forest regeneration following field abandonment. Previous studies on remnant trees were primarily conducted in active pasture or old fields abandoned in the previous 2-3 years, and focused on structure and species richness of regenerating forest, but not species composition. Our study is among the first to investigate the effects of remnant trees on neighborhood forest structure, biodiversity, and species composition 20 years post-abandonment. We compared the woody vegetation around individual remnant trees to nearby plots without remnant trees in the same second-growth forests ("control plots"). Forest structure beneath remnant trees did not differ significantly from control plots. Species richness and species diversity were significantly higher around remnant trees. The species composition around remnant trees differed significantly from control plots and more closely resembled the species composition of nearby old-growth forest. The proportion of old-growth specialists and generalists around remnant trees was significantly greater than in control plots. Although previous studies show that remnant trees may initially accelerate secondary forest growth, we found no evidence that they locally affect stem density, basal area, and seedling density at later stages of regrowth. Remnant trees do, however, have a clear effect on the species diversity, composition, and ecological groups of the surrounding woody vegetation, even after 20 years of forest regeneration. To accelerate the return of diversity and old-growth forest species into regrowing forest on abandoned land, landowners should be encouraged to retain remnant trees in agricultural or pastoral fields.

  3. Compositions of melts for growth of functional single crystals of complex oxides and other compounds

    Science.gov (United States)

    Soboleva, L. V.

    2008-12-01

    The melt compositions ( M c) are calculated for growing crystals with valuable physical properties. The calculation is based on the compositions of the invariant points of the liquidus curves for 33 congruently and 12 incongruently melting solid phases of 42 fusibility diagrams of binary systems. These systems include Na, Ca, Ba, Mg, and Y aluminates; Bi and Pb germanates; Li, K, Ba, and Bi borates; Ba, Fe, Sr, and Bi titanates; Li, K, Cs, Ba, Zn, Ca niobates; Li, Pb, and Gd molibdates; Pb and Nd tungstates; etc. More than 60 studies with data on the experimentally found melt compositions ( M e) for growing the noted crystals are analyzed. It is shown that the melt compositions M c and M e for growth of congruently and incongruently melting crystals are similar. Large-size stoichiometric crystals of high optical quality are grown using these melt compositions. Nonstoichiometric crystals of low structural quality are grown from melt compositions either corresponding to the stoichiometric ratio of the components ( M s) or similar to the compositions at invariant points ( M i). In these cases, a large difference is observed between the melt compositions M c, M s, and M e.

  4. Nucleation, Growth and Morphology of Nanoparticles

    DEFF Research Database (Denmark)

    Eltzholtz, Jakob Rostgaard

    2012-01-01

    I dette projekt er der blevet udviklet et pulseret synteseapparat med forbedret kontrol over opholdstider samt færre problemer med tilstopning end man kender det fra traditionel flow syntese. Apparatet er blevet brugt til at producere forskellige typer af oxider, deriblandt Li4Ti5O12, der er et l...

  5. Polymer-based nucleation for chemical vapour deposition of diamond

    Czech Academy of Sciences Publication Activity Database

    Domonkos, Mária; Ižák, Tibor; Kromka, Alexander; Varga, Marián

    2016-01-01

    Roč. 133, č. 29 (2016), 1-7, č. článku 43688. ISSN 0021-8995 R&D Projects: GA ČR GC15-22102J Institutional support: RVO:68378271 Keywords : copolymers * composites * diamond * nucleation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.860, year: 2016

  6. Nature of Y1Ba2Cu3O7 nucleation centers on ceria buffers

    International Nuclear Information System (INIS)

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

    2010-01-01

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

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

    Science.gov (United States)

    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.

  8. The Lack of Chemical Equilibrium does not Preclude the Use of the Classical Nucleation Theory in Circumstellar Outflows

    Science.gov (United States)

    Paquette, John A.; Nuth, Joseph A., III

    2011-01-01

    Classical nucleation theory has been used in models of dust nucleation in circumstellar outflows around oxygen-rich asymptotic giant branch stars. One objection to the application of classical nucleation theory (CNT) to astrophysical systems of this sort is that an equilibrium distribution of clusters (assumed by CNT) is unlikely to exist in such conditions due to a low collision rate of condensable species. A model of silicate grain nucleation and growth was modified to evaluate the effect of a nucleation flux orders of magnitUde below the equilibrium value. The results show that a lack of chemical equilibrium has only a small effect on the ultimate grain distribution.

  9. Short pulse duration shock initiation experiments plus ignition and growth modeling on Composition B

    International Nuclear Information System (INIS)

    May, Chadd M; Tarver, Craig M

    2014-01-01

    Composition B (63% RDX, 36% TNT, 1% wax) is still a widely used energetic material whose shock initiation characteristics are necessary to understand. It is now possible to shock initiate Composition B and other secondary explosives at diameters well below their characteristic failure diameters for unconfined self-sustaining detonation. This is done using very high velocity, very thin, small diameter flyer plates accelerated by electric or laser power sources. Recently experimental detonation versus failure to detonate threshold flyer velocity curves for Composition B using several Kapton TM flyer thicknesses and diameters were measured. Flyer plates with diameters of 2 mm successfully detonated Composition B, which has a nominal failure diameter of 4.3 mm. The shock pressures required for these initiations are greater than the Chapman-Jouguet (C-J) pressure in self-sustaining Composition B detonation waves. The initiation process is two-dimensional, because both rear and side rarefactions can affect the shocked Composition B reaction rates. The Ignition and Growth reactive flow model for Composition B is extended to yield accurate simulations of this new threshold velocity data for various flyer thicknesses.

  10. The hemicellulolytic enzyme arsenal of Thermobacillus xylanilyticus depends on the composition of biomass used for growth

    Directory of Open Access Journals (Sweden)

    Rakotoarivonina Harivony

    2012-12-01

    Full Text Available Abstract Background Thermobacillus xylanilyticus is a thermophilic and highly xylanolytic bacterium. It produces robust and stable enzymes, including glycoside hydrolases and esterases, which are of special interest for the development of integrated biorefineries. To investigate the strategies used by T. xylanilyticus to fractionate plant cell walls, two agricultural by-products, wheat bran and straw (which differ in their chemical composition and tissue organization, were used in this study and compared with glucose and xylans. The ability of T. xylanilyticus to grow on these substrates was studied. When the bacteria used lignocellulosic biomass, the production of enzymes was evaluated and correlated with the initial composition of the biomass, as well as with the evolution of any residues during growth. Results Our results showed that T. xylanilyticus is not only able to use glucose and xylans as primary carbon sources but can also use wheat bran and straw. The chemical compositions of both lignocellulosic substrates were modified by T. xylanilyticus after growth. The bacteria were able to consume 49% and 20% of the total carbohydrates in bran and straw, respectively, after 24 h of growth. The phenolic and acetyl ester contents of these substrates were also altered. Bacterial growth on both lignocellulosic biomasses induced hemicellulolytic enzyme production, and xylanase was the primary enzyme secreted. Debranching activities were differentially produced, as esterase activities were more important to bacterial cultures grown on wheat straw; arabinofuranosidase production was significantly higher in bacterial cultures grown on wheat bran. Conclusion This study provides insight into the ability of T. xylanilyticus to grow on abundant agricultural by-products, which are inexpensive carbon sources for enzyme production. The composition of the biomass upon which the bacteria grew influenced their growth, and differences in the biomass provided

  11. Features of film growth during plasma anodizing of Al 2024/SiC metal matrix composite

    Energy Technology Data Exchange (ETDEWEB)

    Xue Wenbin [Key Laboratory for Radiation Beam Technology and Materials Modification, Institute of Low Energy Nuclear Physics, Beijing Normal University, Beijing 100875 (China)]. E-mail: xuewb@bnu.edu.cn

    2006-07-15

    Plasma anodizing is a novel promising process to fabricate corrosion-resistant protective films on metal matrix composites. The corrosion-resistant films were prepared by plasma anodizing on SiC reinforced aluminum matrix composite. The morphology and microstructure of films were analyzed by scanning electron microscopy. Specifically, the morphology of residual SiC reinforcement particles in the film was observed. It is found that the most SiC reinforcement particles have been molten to become silicon oxide, but a few tiny SiC particles still remain in the film close to the composite/film interface. This interface is irregular due to the hindering effect of SiC particles on the film growth. Morphology and distribution of residual SiC particles in film provide direct evidence to identify the local melt occurs in the interior of plasma anodizing film even near the composite/film interface. A model of film growth by plasma anodizing on metal matrix composites was proposed.

  12. Features of film growth during plasma anodizing of Al 2024/SiC metal matrix composite

    International Nuclear Information System (INIS)

    Xue Wenbin

    2006-01-01

    Plasma anodizing is a novel promising process to fabricate corrosion-resistant protective films on metal matrix composites. The corrosion-resistant films were prepared by plasma anodizing on SiC reinforced aluminum matrix composite. The morphology and microstructure of films were analyzed by scanning electron microscopy. Specifically, the morphology of residual SiC reinforcement particles in the film was observed. It is found that the most SiC reinforcement particles have been molten to become silicon oxide, but a few tiny SiC particles still remain in the film close to the composite/film interface. This interface is irregular due to the hindering effect of SiC particles on the film growth. Morphology and distribution of residual SiC particles in film provide direct evidence to identify the local melt occurs in the interior of plasma anodizing film even near the composite/film interface. A model of film growth by plasma anodizing on metal matrix composites was proposed

  13. Evaluation of the MMCLIFE 3.0 code in predicting crack growth in titanium aluminide composites

    International Nuclear Information System (INIS)

    Harmon, D.; Larsen, J.M.

    1999-01-01

    Crack growth and fatigue life predictions made with the MMCLIFE 3.0 code are compared to test data for unidirectional, continuously reinforced SCS-6/Ti-14Al-21Nb (wt pct) composite laminates. The MMCLIFE 3.0 analysis package is a design tool capable of predicting strength and fatigue performance in metal matrix composite (MMC) laminates. The code uses a combination of micromechanic lamina and macromechanic laminate analyses to predict stresses and uses linear elastic fracture mechanics to predict crack growth. The crack growth analysis includes a fiber bridging model to predict the growth of matrix flaws in 0 degree laminates and is capable of predicting the effects of interfacial shear stress and thermal residual stresses. The code has also been modified to include edge-notch flaws in addition to center-notch flaws. The model was correlated with constant amplitude, isothermal data from crack growth tests conducted on 0- and 90 degree SCS-6/Ti-14-21 laminates. Spectrum fatigue tests were conducted, which included dwell times and frequency effects. Strengths and areas for improvement for the analysis are discussed

  14. Characterization of Mode I and Mode II delamination growth and thresholds in AS4/PEEK composites

    Science.gov (United States)

    Martin, Roderick H.; Murri, Gretchen Bostaph

    1990-01-01

    Composite materials often fail by delamination. The onset and growth of delamination in AS4/PEEK, a tough thermoplastic matrix composite, was characterized for mode 1 and mode 2 loadings, using the Double Cantilever Beam (DCB) and the End Notched Flexure (ENF) test specimens. Delamination growth per fatigue cycle, da/dN, was related to strain energy release rate, G, by means of a power law. However, the exponents of these power laws were too large for them to be adequately used as a life prediction tool. A small error in the estimated applied loads could lead to large errors in the delamination growth rates. Hence strain energy release rate thresholds, G sub th, below which no delamination would occur were also measured. Mode 1 and 2 threshold G values for no delamination growth were found by monitoring the number of cycles to delamination onset in the DCB and ENF specimens. The maximum applied G for which no delamination growth had occurred until at least 1,000,000 cycles was considered the threshold strain energy release rate. Comments are given on how testing effects, facial interference or delamination front damage, may invalidate the experimental determination of the constants in the expression.

  15. Characterization of Mode 1 and Mode 2 delamination growth and thresholds in graphite/peek composites

    Science.gov (United States)

    Martin, Roderick H.; Murri, Gretchen B.

    1988-01-01

    Composite materials often fail by delamination. The onset and growth of delamination in AS4/PEEK, a tough thermoplastic matrix composite, was characterized for mode 1 and mode 2 loadings, using the Double Cantilever Beam (DCB) and the End Notched Flexure (ENF) test specimens. Delamination growth per fatigue cycle, da/dN, was related to strain energy release rate, G, by means of a power law. However, the exponents of these power laws were too large for them to be adequately used as a life prediction tool. A small error in the estimated applied loads could lead to large errors in the delamination growth rates. Hence strain energy release rate thresholds, G sub th, below which no delamination would occur were also measured. Mode 1 and 2 threshold G values for no delamination growth were found by monitoring the number of cycles to delamination onset in the DCB and ENF specimens. The maximum applied G for which no delamination growth had occurred until at least 1,000,000 cycles was considered the threshold strain energy release rate. Comments are given on how testing effects, facial interference or delamination front damage, may invalidate the experimental determination of the constants in the expression.

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

    OpenAIRE

    Iwamatsu, Masao

    2012-01-01

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

  17. TAX COMPOSITION AND ECONOMIC GROWTH. A PANEL-MODEL APPROACH FOR EASTERN EUROPE

    Directory of Open Access Journals (Sweden)

    MURA PETRU-OVIDIU

    2015-03-01

    Full Text Available In this paper, we investigate the impact of tax composition on economic growth, based on a panel-model approach. The dataset includes six East-European countries and covers the period 1995-2012. Specifically, the study explores the relative impact of different components of tax revenue (direct and indirect tax revenue, as percentage of total tax revenue on economic growth. The paper adds marginally to the empirical literature, showing how the two types of tax revenue influence economic growth in Eastern Europe, under an extended set of economic and sociopolitical control variables. The most important empirical output, for the 6 investigated East-European countries during 1995-2012, suggests that direct taxes are significant and negatively correlated with economic growth, while indirect taxes exert a positive influence on the dependent variable, though insignificant. As for the control variables, it seems that only freedom from corruption and political stability have a significant impact on economic growth. The study suggests that the design of tax systems in Eastern European countries is in accordance with the Commission’s priorities regarding its growth-friendliness. As for policy implications, governments should continue shifting the tax burden away from labour on to tax bases linked to consumption, property, and combating pollution, with potential positive effects both for growth and for fighting against tax evasion.

  18. Glass-crystal transformation under non-isothermal conditions: Kinetic analysis of the Ag{sub 0.16}As{sub 0.38}Se{sub 0.46} glassy alloy by using a new theoretical method based on nucleation and growth processes, which depend on time as a power law

    Energy Technology Data Exchange (ETDEWEB)

    Vazquez, J., E-mail: jose.vazquez@uca.e [Departamento de Fisica de la Materia Condensada, Facultad de Ciencias, Universidad de Cadiz, Apartado 40, 11510, Puerto Real (Cadiz) (Spain); Cardenas-Leal, J.L.; Garcia-G Barreda, D.; Gonzalez-Palma, R.; Lopez-Alemany, P.L.; Villares, P. [Departamento de Fisica de la Materia Condensada, Facultad de Ciencias, Universidad de Cadiz, Apartado 40, 11510, Puerto Real (Cadiz) (Spain)

    2010-11-01

    A theoretical method, which we have published in two previous works, has been applied to the study of the glass-crystal transformation of the Ag{sub 0.16}As{sub 0.38}Se{sub 0.46} semiconductor glass under non-isothermal conditions. This method allows one to obtain an evolution equation with temperature for the actual volume fraction, to calculate the kinetic parameters of the quoted transformation, to establish the thermal process type, to determine the dimensionality of the crystal growth and to evaluate the exponents of the power laws of the time-dependence both for the nucleation frequency and for the crystal growth rate in non-isothermal transformations. The quoted method assumes the concept of extended volume of the transformed material, the condition of randomly located nuclei and the supposition of mutual interference of regions growing from separated nuclei, considering moreover the case presented in the practice of a kinetic exponent with a value larger than 4. To study the quoted case it is proposed that both the nucleation frequency and the crystal growth rate depend on time as a power law. The above-mentioned Ag{sub 0.16}As{sub 0.38}Se{sub 0.46} glassy alloy presents two exothermic peaks. The second peak gives for the kinetic exponent a value large enough than 4 and it is necessary to resort to the hypotheses of the considered method to justify the unexpectedly high value of the kinetic exponent. Following the quoted method it has been found that the thermal process type is continuous nucleation with three-dimensional growth for the two peaks of crystallization of the studied alloy. Moreover, the experimental curve of the transformed fraction shows a satisfactory agreement with the theoretical curve corresponding to the considered method, confirming the reliability of the quoted method in order to analyze the transformation kinetics of the above-mentioned alloy.

  19. Effect of reinforced fiber on morphology of Si phases in Al2O3/AI-Si alloy composite

    Directory of Open Access Journals (Sweden)

    Zheng LIU

    2005-05-01

    Full Text Available Alumina/aluminum-silicon alloy composite is manufactured by squeeze casting. The effect of the reinforcement on the morphology of the silicon phase in aluminum-silicon alloy is studied. The results indicate that an alumina fiber can serve as propitious sites for the heterogeneous nucleation of the silicon phase, and the primary silicon in the composite can nucleate on the surface of the fiber. The fiber in the composite can trigger twin during the coupled growth of the aluminum-silicon eutectic and lead to modification of the eutectic silicon near the fiber.

  20. Associations of infant feeding and timing of linear growth and relative weight gain during early life with childhood body composition

    NARCIS (Netherlands)

    de Beer, M.; Vrijkotte, T.G.M.; Fall, C.H.D.; Eijsden, M.; Osmond, C.; Gemke, R.J.B.J.

    2015-01-01

    Background:Growth and feeding during infancy have been associated with later life body mass index. However, the associations of infant feeding, linear growth and weight gain relative to linear growth with separate components of body composition remain unclear.Methods:Of 5551 children with collected

  1. Seasonal variations in growth and body composition of 8-11-year-old Danish children

    DEFF Research Database (Denmark)

    Dalskov, Stine-Mathilde; Ritz, Christian; Larnkjær, Anni

    2016-01-01

    BACKGROUND: Earlier studies on seasonality in growth reported the largest height gains during spring and largest body weight gains during autumn. We examined seasonality in height, body weight, BMI, fat mass index (FMI) and fat-free mass index (FFMI) among contemporary Danish 8-11-year......-olds. METHODS: 760 children from the OPUS School Meal Study provided >2200 measurements on height, body weight and composition between September-June. Average velocities were calculated using change-score analyses based on three-month intervals. As a complementary analysis, point velocities derived from...... suggest seasonality in growth and body composition of Danish children. We recovered the well-known height velocity peak during spring time, but unlike earlier studies we found coincident peaks in body weight, BMI, and FFMI velocities.Pediatric Research (2015); doi:10.1038/pr.2015.206....

  2. Walker Branch Throughfall Displacement Experiment Data Report: Site Characterization, System Performance, Weather, Species Composition, and Growth

    Energy Technology Data Exchange (ETDEWEB)

    Hanson, P.J.

    2001-09-04

    This numeric data package provides data sets, and accompanying documentation, on site characterization, system performance, weather, species composition, and growth for the Throughfall Displacement Experiment, which was established in the Walker Branch Watershed of East Tennessee to provide data on the responses of forests to altered precipitation regimes. The specific data sets include soil water content and potential, coarse fraction of the soil profile, litter layer temperature, soil temperature, monthly weather, daily weather, hourly weather, species composition of trees and saplings, mature tree and sapling annual growth, and relative leaf area index. Fortran and SAS{trademark} access codes are provided to read the ASCII data files. The data files and this documentation are available without charge on a variety of media and via the Internet from the Carbon Dioxide Information Analysis Center (CDIAC).

  3. Nucleation and cavitation in parahydrogen

    International Nuclear Information System (INIS)

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

    2012-01-01

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

  4. Effect of pig manure on nutrient composition, growth and yield of Okra

    African Journals Online (AJOL)

    Five rates of manure, 0,2.5,5.0,7.5, and 10.0t/ha and NPK (15-15-15) fertilizer } at 200kg/ha were compared as to their effects on leaf nutrient composition, growth and pod yield of okra. Pig manure increased okra leaf nutrient N,P,K Ca and Mg contents, and the nutrients increased with application of manure. NPK fertilizer ...

  5. Effect of NPK and Poultry Manure on Growth, Yield, and Proximate Composition of Three Amaranths

    Directory of Open Access Journals (Sweden)

    Stephen Oyedeji

    2014-01-01

    Full Text Available The study compares the growth, yield, and proximate composition of Amaranthus hybridus, Amaranthus cruentus, and Amaranthus deflexus, grown with poultry manure and NPK in relation to the unfertilized soil of Ilorin, Nigeria. Viable seeds of the Amaranths raised in nursery for two weeks were transplanted (one plant per pot into unfertilized soil (control and soils fertilized with either NPK or poultry manure (PM at 30 Kg ha−1 rate arranged in randomized complete block design with four replicates. Data were collected on plant height, stem girth, number of leaves, leaf area, and number of branches from 1 week after transplanting (1 WAT. Fresh weight, dry weight, and proximate composition were determined at 6 WAT. Except for the length, breadth, and number of leaves, the order of growth parameters and yield in the three Amaranthus species was NPK > PM > control. NPK grown Amaranthus species had the highest protein while PM-grown vegetables had the highest ash content. Crude fibre in A. cruentus grown with PM was significantly higher than NPK and the control. The NPK treatment of A. hybridus and A. deflexus had the highest crude fibre content. NPK and PM favoured growth and yield of the Amaranthus species but influenced proximate composition differently.

  6. Biofiltration, growth and body composition of oyster Crassostrea rhizophorae in effluents from shrimp Litopenaeus vannamei1

    Directory of Open Access Journals (Sweden)

    Rafael Vieira de Azevedo

    Full Text Available The objective of this study was to use oyster as biofilter to improve the quality of effluent from shrimp farming and to assess its growth performance and body composition. It was distributed 1,080 oysters into lanterns in fiberglass tanks (170 L in a completely randomized design with three treatments (0, 60 and 120 oysters and six replicates. It was used the effluent from the sedimentation tank. It was measured weekly: temperature, salinity, dissolved oxygen and pH, and it was analyzed ammonia-N, nitrite-N, nitrate-N, orthophosphate-P, suspended solids and chlorophyll-α of the input effluent. The control tanks (without oysters were more efficient at removing ammonia-N, nitrite-N, nitrate-N and orthophosphate-P. The tanks containing oysters were more efficient at removing suspended solids and chlorophyll-α. Stocking density influenced the height growth of oysters, but not width. Wet and daily weight, condition and yield index were not affected by stocking density, and a significant increase in comparison to the initials values was observed. Body composition was not affected by stocking density, and a significant difference (p0.05. Under the conditions evaluated, the oyster Crassostrea rhizophorae improves water quality and presents growth rates and body composition similar to those obtained in traditional crops.

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

    Directory of Open Access Journals (Sweden)

    J. Kim

    2016-01-01

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

  8. Baseline Body Composition in Prepubertal Short Stature Children with Severe and Moderate Growth Hormone Deficiency

    Directory of Open Access Journals (Sweden)

    Pawel Matusik

    2016-01-01

    Full Text Available Objective. To compare body composition parameters in short children with severe versus moderate and no growth hormone deficiency (GHD. Design and Method. 61 children (40 boys were studied. Height SDS, BMI Z-score, waist/height ratio (W/HtR, and body composition parameters (BIA as fat tissue (FAT%, fat-free mass (FFM%, predicted muscle mass (PMM%, and total body water (TBW% were evaluated. GH secretion in the overnight profile and two stimulation tests and insulin-like growth factor 1 (IGF-1 level were measured. Results. Overall, in 16 (26% moderate (7.0 > peak GH < 10 ng/mL and in 11 (18% severe (GH ≤ 7.0 ng/mL GHD was diagnosed. In children with sGHD BMI Z-score, W/HtR and FAT% were significantly higher, while FFM%, PMM%, and TBW% were significantly lower versus mGHD and versus noGHD subgroups. No significant differences between mGHD and noGHD were found. There were no differences in height SDS and IGF-1 SDS between evaluated subgroups. Night GH peak level correlated significantly with FAT%, FFM%, PMM%, and TBW%, (p<0.05 in the entire group. Conclusions. Only sGHD is associated with significant impairment of body composition. Body composition analysis may be a useful tool in distinguishing between its severe and moderate form of GHD.

  9. Visualization of nucleate pool boiling of freon 113

    International Nuclear Information System (INIS)

    Afify, M.A.; Fruman, D.H.

    1987-01-01

    The purpose of this investigation is to give a fine description of the behaviour of vapour bubbles in nucleate pool boiling at sites of known sizes using high speed photography. The shapes and growth history of isolated bubbles were determined for a variety of experimental conditions. Coalescence effects between two adjacent or consecutive bubbles were also visualized and the occurrence of vapour patches and continuous vapour columns was demonstrated. Quantitative analysis of the films allows to determine the history and nucleation characteristics of bubbles as a function of various parameters such as heat flux, liquid subcooling and size and nature of nucleation sites. These results are in good agreement with those found in the literature

  10. Impact of metabolism and growth phase on the hydrogen isotopic composition of microbial fatty acids

    Science.gov (United States)

    Heinzelmann, Sandra M.; Villanueva, Laura; Sinke-Schoen, Danielle; Sinninghe Damsté, Jaap S.; Schouten, Stefan; van der Meer, Marcel T. J.

    2015-01-01

    Microorganisms are involved in all elemental cycles and therefore it is important to study their metabolism in the natural environment. A recent technique to investigate this is the hydrogen isotopic composition of microbial fatty acids, i.e., heterotrophic microorganisms produce fatty acids enriched in deuterium (D) while photoautotrophic and chemoautotrophic microorganisms produce fatty acids depleted in D compared to the water in the culture medium (growth water). However, the impact of factors other than metabolism have not been investigated. Here, we evaluate the impact of growth phase compared to metabolism on the hydrogen isotopic composition of fatty acids of different environmentally relevant microorganisms with heterotrophic, photoautotrophic and chemoautotrophic metabolisms. Fatty acids produced by heterotrophs are enriched in D compared to growth water with εlipid/water between 82 and 359‰ when grown on glucose or acetate, respectively. Photoautotrophs (εlipid/water between −149 and −264‰) and chemoautotrophs (εlipid/water between −217 and −275‰) produce fatty acids depleted in D. Fatty acids become, in general, enriched by between 4 and 46‰ with growth phase which is minor compared to the influence of metabolisms. Therefore, the D/H ratio of fatty acids is a promising tool to investigate community metabolisms in nature. PMID:26005437

  11. Effect of Gamma Rays and Salinity on Growth and Chemical Composition of Ambrosia maritima L. Plant

    International Nuclear Information System (INIS)

    Moemen, A.M.E.

    2012-01-01

    This work achieved to study the effects of, mixture of salt 2:2:1 (Na Cl-CaCl 2 and Mg SO 4 ), concentration of (0, 2000, 4000 and 6000 ppm). on growth characters, some chemical components and some active ingredients in shoots of Ambrosia maritima plants, at different stages of growth, during two seasons. Pots 30 cm in diameter were filled of sand-loamy soils in appropriate concentration, all pots were irrigated with tap water. The exposed damsisa seeds to gamma rays, doses (0, 20, 40, and 80 Gy) before sowing together with control non irradiated seeds were sown in saline soils (0, 2000, 4000 and 6000 ppm). Soil salinity treatments caused a decrease in plant height, number of leaves, content of damsin, and an increase in fresh weigh, dry weight, total sugars,