Sample records for nucleation theory based

  1. A dynamical theory of nucleation (United States)

    Lutsko, James F.


    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.

  2. Principles of nucleation theory

    International Nuclear Information System (INIS)

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


    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)

  3. A nanoscale temperature-dependent heterogeneous nucleation theory

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Y. Y. [Nanosurface Science and Engineering Research Institute, College of Mechatronics and Control Engineering, Shenzhen University, Shenzhen, 518060 Guangdong (China); Yang, G. W., E-mail: [State Key Laboratory of Optoelectronic Materials and Technologies, Nanotechnology Research Center, School of Materials Science and Engineering, School of Physics and Engineering, Sun Yat-Sen University, Guangzhou, 510275 Guangdong (China)


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

  4. Theory and Simulation of Nucleation

    NARCIS (Netherlands)

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


    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. Acoustic vibration effects in classical nucleation theory (United States)

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


    Acoustic vibration is often used to improve the yield of crystals and nanoparticles growing from solutions and melts. As there is still a debate on how acoustic vibration actually works, we have examined the possibility that acoustic pressure can affect the rate of nucleation. Our method is based on an expansion of the free energy of the nucleus in powers of the acoustic pressure. With the assumption that the period of the sound wave is short as compared to the time scale for nucleation, we replace the powers of the acoustic pressure by their time averages, retaining the average of the square of the acoustic pressure as the leading term. By assuming a nucleus having spherical shape, we use the Young-Laplace equation to relate the pressure inside the nucleus to the ambient pressure. Without making further approximations not already standard in classical nucleation theory, we find that the proximate effect of acoustic pressure is to reduce both the size of the critical nucleus as well as the work required to form it from monomers. As the work serves as the activation energy, the ultimate effect of acoustic pressure is to increase the rate of nucleation. If we assume that the atomic structure of the nucleus is the same as that of an ordinary solid, however, we find the compressibility is too small for acoustic vibration effects to be noticeable. If on the other hand, we assume that the structure is similar to that of a loosely bound colloidal particle, then the effects of acoustic vibration become potentially observable.

  6. A nucleation theory of cell surface capping

    International Nuclear Information System (INIS)

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


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

  7. The emergence of modern nucleation theory

    International Nuclear Information System (INIS)

    Cahn, J.W.


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

  8. Systematic coarse-graining in nucleation theory

    Energy Technology Data Exchange (ETDEWEB)

    Schweizer, M., E-mail: [Department of Materials, Polymer Physics, ETH Zurich, Vladimir-Prelog-Weg 5, 8093 Zurich (Switzerland); Sagis, L. M. C., E-mail: [Department of Materials, Polymer Physics, ETH Zurich, Vladimir-Prelog-Weg 5, 8093 Zurich (Switzerland); Food Physics Group, Wageningen University, Bornse Weilanden 9, 6708 WG Wageningen (Netherlands)


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

  9. Systematic coarse-graining in nucleation theory (United States)

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


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

  10. Systematic coarse-graining in nucleation theory

    NARCIS (Netherlands)

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


    In this work, we show that the standard method to obtain nucleation rate-predictions with the aid of atomistic Monte Carlo simulations leads to nucleation rate predictions that deviate 3 - 5 orders of magnitude from the recent brute-force molecular dynamics simulations [Diemand et al., J. Chem.

  11. A two-parameter extension of classical nucleation theory (United States)

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


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

  12. A two-parameter extension of classical nucleation theory

    International Nuclear Information System (INIS)

    Lutsko, James F; Durán-Olivencia, Miguel A


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

  13. Acid-base chemical reaction model for nucleation rates in the polluted atmospheric boundary layer. (United States)

    Chen, Modi; Titcombe, Mari; Jiang, Jingkun; Jen, Coty; Kuang, Chongai; Fischer, Marc L; Eisele, Fred L; Siepmann, J Ilja; Hanson, David R; Zhao, Jun; McMurry, Peter H


    Climate models show that particles formed by nucleation can affect cloud cover and, therefore, the earth's radiation budget. Measurements worldwide show that nucleation rates in the atmospheric boundary layer are positively correlated with concentrations of sulfuric acid vapor. However, current nucleation theories do not correctly predict either the observed nucleation rates or their functional dependence on sulfuric acid concentrations. This paper develops an alternative approach for modeling nucleation rates, based on a sequence of acid-base reactions. The model uses empirical estimates of sulfuric acid evaporation rates obtained from new measurements of neutral molecular clusters. The model predicts that nucleation rates equal the sulfuric acid vapor collision rate times a prefactor that is less than unity and that depends on the concentrations of basic gaseous compounds and preexisting particles. Predicted nucleation rates and their dependence on sulfuric acid vapor concentrations are in reasonable agreement with measurements from Mexico City and Atlanta.

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

    NARCIS (Netherlands)

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


    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

  15. Theories of nucleation and growth of bubbles and voids

    International Nuclear Information System (INIS)

    Speight, M.V.


    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)

  16. Comprehensive theory for star-like polymer micelles: combining classical nucleation and polymer brush theory

    NARCIS (Netherlands)

    Sprakel, J.H.B.; Leermakers, F.A.M.; Cohen Stuart, M.A.; Besseling, N.A.M.


    A comprehensive theory is proposed that combines classical nucleation and polymer brush theory to describe star-like polymer micelles. With a minimum of adjustable parameters, the model predicts properties such as critical micelle concentrations and micellar size distributions. The validity of the

  17. Pore Formation During Solidification of Aluminum: Reconciliation of Experimental Observations, Modeling Assumptions, and Classical Nucleation Theory (United States)

    Yousefian, Pedram; Tiryakioğlu, Murat


    An in-depth discussion of pore formation is presented in this paper by first reinterpreting in situ observations reported in the literature as well as assumptions commonly made to model pore formation in aluminum castings. The physics of pore formation is reviewed through theoretical fracture pressure calculations based on classical nucleation theory for homogeneous and heterogeneous nucleation, with and without dissolved gas, i.e., hydrogen. Based on the fracture pressure for aluminum, critical pore size and the corresponding probability of vacancies clustering to form that size have been calculated using thermodynamic data reported in the literature. Calculations show that it is impossible for a pore to nucleate either homogeneously or heterogeneously in aluminum, even with dissolved hydrogen. The formation of pores in aluminum castings can only be explained by inflation of entrained surface oxide films (bifilms) under reduced pressure and/or with dissolved gas, which involves only growth, avoiding any nucleation problem. This mechanism is consistent with the reinterpretations of in situ observations as well as the assumptions made in the literature to model pore formation.

  18. Evaluation of time-dependent void nucleation theory under ion bombardment conditions

    International Nuclear Information System (INIS)

    Sprague, J.A.; Russell, K.C.; Choi, Y.H.


    The applicability of a steady state and time-dependent homogeneous void nucleation theory to charged-particle irradiation experiments was investigated. The steady-state theory was found to be inappropriate, since significant changes in a metal's microstructure would likely occur before the void nucleation rate could reach steady state. Two types of time dependence were examined, that of the point defect concentrations at the beginning of an irradiation and the longer-term time dependence of void nucleation. It was found that vacancy and interstitial clustering significantly reduce the relaxation time for the point defect concentrations. An efficient form of time-dependent homogeneous nucleation theory was applied to ion bombardment conditions to predict void size distributions

  19. Breakdown of classical nucleation theory near isostructural phase transitions

    NARCIS (Netherlands)

    Cacciuto, A.; Auer, S.; Frenkel, D.


    We report simulations of crystal nucleation in binary mixtures of hard spherical colloids with a size ratio of 1:10. The stable crystal phase of this system can be either dense or expanded. We find that, in the vicinity of the solid-solid critical point where the crystallites are highly

  20. The Lack of Chemical Equilibrium does not Preclude the Use of the Classical Nucleation Theory in Circumstellar Outflows (United States)

    Paquette, John A.; Nuth, Joseph A., III


    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.

  1. Replacement free energy and the 1/S factor in nucleation theory as a consequence of mixing entropy

    NARCIS (Netherlands)

    Reiss, H.; Kegel, W.K.


    In this paper we emphasize the mixing entropy phenomenon, which is common to both microemulsion and nucleation theory, and call upon its commonality to both areas to aid in the understanding of both the replacement free energy and 1/S factor in nucleation theory. In microemulsion theory the mixing

  2. An Application of Nucleation Theory to Thin-Film Annealing | Gana ...

    African Journals Online (AJOL)

    The growth process of a binary system that has been heat treated and quenched has been modeled using the Becker-Doring nucleation theory. Growth rate and composition profiles have been evaluated. The model clearly favors the precipitations of components rather than the formation of large clusters that may span the ...

  3. An analysis of refractory silicate nucleation via the theory of the physical spinodal (United States)

    Nuth, Joseph A., III


    An analysis of experimental data has been conducted using the theory of the spinodal, as a test of its applicability to refractory vapors. A promising aspect of this approach is its prediction of a temperature and supersaturation at which there no longer exists a barrier to nucleation; such a phenomenon has been observed in both the SiO-H2 and MgSiO-H2 systems, where a small change in ambient temperature yielded 5-10 orders of magnitude increases in the nucleation rate within a few seconds.

  4. Droplet Nucleation: Physically-Based Parameterizations and Comparative Evaluation

    Directory of Open Access Journals (Sweden)

    Steve Ghan


    Full Text Available One of the greatest sources of uncertainty in simulations of climate and climate change is the influence of aerosols on the optical properties of clouds. The root of this influence is the droplet nucleation process, which involves the spontaneous growth of aerosol into cloud droplets at cloud edges, during the early stages of cloud formation, and in some cases within the interior of mature clouds. Numerical models of droplet nucleation represent much of the complexity of the process, but at a computational cost that limits their application to simulations of hours or days. Physically-based parameterizations of droplet nucleation are designed to quickly estimate the number nucleated as a function of the primary controlling parameters: the aerosol number size distribution, hygroscopicity and cooling rate. Here we compare and contrast the key assumptions used in developing each of the most popular parameterizations and compare their performances under a variety of conditions. We find that the more complex parameterizations perform well under a wider variety of nucleation conditions, but all parameterizations perform well under the most common conditions. We then discuss the various applications of the parameterizations to cloud-resolving, regional and global models to study aerosol effects on clouds at a wide range of spatial and temporal scales. We compare estimates of anthropogenic aerosol indirect effects using two different parameterizations applied to the same global climate model, and find that the estimates of indirect effects differ by only 10%. We conclude with a summary of the outstanding challenges remaining for further development and application.


    International Nuclear Information System (INIS)

    Paquette, John A.; Nuth, Joseph A.


    Classical nucleation theory (CNT) has been used in models of dust nucleation in circumstellar outflows around oxygen-rich asymptotic giant branch stars. One objection to the application of 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.

  6. Dynamics of homogeneous nucleation

    DEFF Research Database (Denmark)

    Toxværd, Søren


    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...

  7. Overview: Nucleation of clathrate hydrates (United States)

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


    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.

  8. Gas Hydrate Formation Probability Distributions: The Effect of Shear and Comparisons with Nucleation Theory. (United States)

    May, Eric F; Lim, Vincent W; Metaxas, Peter J; Du, Jianwei; Stanwix, Paul L; Rowland, Darren; Johns, Michael L; Haandrikman, Gert; Crosby, Daniel; Aman, Zachary M


    Gas hydrate formation is a stochastic phenomenon of considerable significance for any risk-based approach to flow assurance in the oil and gas industry. In principle, well-established results from nucleation theory offer the prospect of predictive models for hydrate formation probability in industrial production systems. In practice, however, heuristics are relied on when estimating formation risk for a given flowline subcooling or when quantifying kinetic hydrate inhibitor (KHI) performance. Here, we present statistically significant measurements of formation probability distributions for natural gas hydrate systems under shear, which are quantitatively compared with theoretical predictions. Distributions with over 100 points were generated using low-mass, Peltier-cooled pressure cells, cycled in temperature between 40 and -5 °C at up to 2 K·min -1 and analyzed with robust algorithms that automatically identify hydrate formation and initial growth rates from dynamic pressure data. The application of shear had a significant influence on the measured distributions: at 700 rpm mass-transfer limitations were minimal, as demonstrated by the kinetic growth rates observed. The formation probability distributions measured at this shear rate had mean subcoolings consistent with theoretical predictions and steel-hydrate-water contact angles of 14-26°. However, the experimental distributions were substantially wider than predicted, suggesting that phenomena acting on macroscopic length scales are responsible for much of the observed stochastic formation. Performance tests of a KHI provided new insights into how such chemicals can reduce the risk of hydrate blockage in flowlines. Our data demonstrate that the KHI not only reduces the probability of formation (by both shifting and sharpening the distribution) but also reduces hydrate growth rates by a factor of 2.

  9. Droplet and bubble nucleation modeled by density gradient theory – cubic equation of state versus saft model

    Directory of Open Access Journals (Sweden)

    Hrubý Jan


    Full Text Available The study presents some preliminary results of the density gradient theory (GT combined with two different equations of state (EoS: the classical cubic equation by van der Waals and a recent approach based on the statistical associating fluid theory (SAFT, namely its perturbed-chain (PC modification. The results showed that the cubic EoS predicted for a given surface tension the density profile with a noticeable defect. Bulk densities predicted by the cubic EoS differed as much as by 100 % from the reference data. On the other hand, the PC-SAFT EoS provided accurate results for density profile and both bulk densities in the large range of temperatures. It has been shown that PC-SAFT is a promising tool for accurate modeling of nucleation using the GT. Besides the basic case of a planar phase interface, the spherical interface was analyzed to model a critical cluster occurring either for nucleation of droplets (condensation or bubbles (boiling, cavitation. However, the general solution for the spherical interface will require some more attention due to its numerical difficulty.

  10. Rayleigh Scattering Density Measurements, Cluster Theory, and Nucleation Calculations at Mach 10 (United States)

    Balla, R. Jeffrey; Everhart, Joel L.


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

  11. Toward a molecular theory of homogeneous bubble nucleation: II. Calculation of the number density of critical nuclei and the rate of nucleation. (United States)

    Torabi, Korosh; Corti, David S


    In the present paper, we develop a method to calculate the rate of homogeneous bubble nucleation within a superheated L-J liquid based on the (n,v) equilibrium embryo free energy surface introduced in the first paper (DOI: 10.1021/jp404149n). We express the nucleation rate as the product of the concentration of critical nuclei within the metastable liquid phase and the relevant forward rate coefficient. We calculate the forward rate coefficient of the critical nuclei from their average lifetime as determined from MD simulations of a large number of embryo trajectories initiated from the transitional region of the metastable liquid configuration space. Therefore, the proposed rate coefficient does not rely on any predefined reaction coordinate. In our model, the critical nuclei belong to the region of the configuration space where the committor probability is about one-half, guaranteeing the dynamical relevance of the proposed embryos. One novel characteristic of our approach is that we define a limit for the configuration space of the equilibrium metastable phase and do not include the configurations that have zero committor probability in the nucleation free energy surface. Furthermore, in order to take into account the transitional degrees of freedom of the critical nuclei, we develop a simulation-based approach for rigorously mapping the free energy of the (n,v) equilibrium embryos to the concentration of the critical nuclei within the bulk metastable liquid phase.

  12. Polymer-based nucleation for chemical vapour deposition of diamond

    Czech Academy of Sciences Publication Activity Database

    Domonkos, Mária; Ižák, Tibor; Kromka, Alexander; Varga, Marián


    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

  13. The first estimates of global nucleation mode aerosol concentrations based on satellite measurements

    Directory of Open Access Journals (Sweden)

    M. Kulmala


    Full Text Available Atmospheric aerosols play a key role in the Earth's climate system by scattering and absorbing solar radiation and by acting as cloud condensation nuclei. Satellites are increasingly used to obtain information on properties of aerosol particles with a diameter larger than about 100 nm. However, new aerosol particles formed by nucleation are initially much smaller and grow into the optically active size range on time scales of many hours. In this paper we derive proxies, based on process understanding and ground-based observations, to determine the concentrations of these new particles and their spatial distribution using satellite data. The results are applied to provide seasonal variation of nucleation mode concentration. The proxies describe the concentration of nucleation mode particles over continents. The source rates are related to both regional nucleation and nucleation associated with more restricted sources. The global pattern of nucleation mode particle number concentration predicted by satellite data using our proxies is compared qualitatively against both observations and global model simulations.

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

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


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

  15. Improved performance of GaN based light emitting diodes with ex-situ sputtered AlN nucleation layers

    Directory of Open Access Journals (Sweden)

    Shuo-Wei Chen


    Full Text Available The crystal quality, electrical and optical properties of GaN based light emitting diodes (LEDs with ex-situ sputtered physical vapor deposition (PVD aluminum nitride (AlN nucleation layers were investigated. It was found that the crystal quality in terms of defect density and x-ray diffraction linewidth was greatly improved in comparison to LEDs with in-situ low temperature GaN nucleation layer. The light output power was 3.7% increased and the reverse bias voltage of leakage current was twice on LEDs with ex-situ PVD AlN nucleation layers. However, larger compressive strain was discovered in LEDs with ex-situ PVD AlN nucleation layers. The study shows the potential and constrain in applying ex-situ PVD AlN nucleation layers to fabricate high quality GaN crystals in various optoelectronics.

  16. Microstructurally sensitive crack nucleation around inclusions in powder metallurgy nickel-based superalloys

    International Nuclear Information System (INIS)

    Jiang, J.; Yang, J.; Zhang, T.; Zou, J.; Wang, Y.; Dunne, F.P.E.; Britton, T.B.


    Nickel-based superalloys are used in high strength, high-value applications, such as gas turbine discs in aero engines. In these applications the integrity of the disc is critical and therefore understanding crack initiation mechanisms is of high importance. With an increasing trend towards powder metallurgy routes for discs, sometimes unwanted non-metallic inclusions are introduced during manufacture. These inclusions vary in size from ∼10 μm to 200 μm which is comparable to the grain size of the nickel-based superalloys. Cracks often initiate near these inclusions, and the precise size, shape, location and path of these cracks are microstructurally sensitive. In this study, we focus on crack initiation at the microstructural length scale using a controlled three-point bend test, with the inclusion deliberately located within the tensile fibre of the beam. Electron backscatter diffraction (EBSD) is combined with high spatial resolution digital image correlation (HR-DIC) to explore full field plastic strain distributions, together with finite element modelling, to understand the micro-crack nucleation mechanisms. This full field information and controlled sample geometry enable us to systematically test crack nucleation criteria. We find that a combined stored energy and dislocation density provide promising results. These findings potentially facilitate more reliable and accurate lifing prediction tools to be developed and applied to engineering components. - Highlights: • High resolution digital image correlation. • High resolution electron backscatter diffraction. • Crack nucleation. • Non-metallic inclusion.

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

    Directory of Open Access Journals (Sweden)

    V.-M. Kerminen


    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

  18. 7YSZ coating prepared by PS-PVD based on heterogeneous nucleation

    Directory of Open Access Journals (Sweden)

    Ziqian DENG


    Full Text Available Plasma spray-physical vapor deposition (PS-PVD as a novel coating process based on low-pressure plasma spray (LPPS has been significantly used for thermal barrier coatings (TBCs. A coating can be deposited from liquid splats, nano-sized clusters, and the vapor phase forming different structured coatings, which shows obvious advantages in contrast to conventional technologies like atmospheric plasma spray (APS and electron beam-physical vapor deposition (EB-PVD. In addition, it can be used to produce thin, dense, and porous ceramic coatings for special applications because of its special characteristics, such as high power, very low pressure, etc. These provide new opportunities to obtain different advanced microstructures, thus to meet the growing requirements of modern functional coatings. In this work, focusing on exploiting the potential of gas-phase deposition from PS-PVD, a series of 7YSZ coating experiments with various process conditions was performed in order to better understand the deposition process in PS-PVD, where coatings were deposited on different substrates including graphite and zirconia. Meanwhile, various substrate temperatures were investigated for the same substrate. As a result, a deposition mechanism of heterogeneous nucleation has been presented showing that surface energy is an important influencing factor for coating structures. Besides, undercooling of the interface between substrate and vapor phase plays an important role in coating structures. Keywords: 7YSZ, Deposition mechanism, Heterogeneous nucleation, PS-PVD, TBC

  19. Parameterization of ion-induced nucleation rates based on ambient observations

    Directory of Open Access Journals (Sweden)

    T. Nieminen


    Full Text Available Atmospheric ions participate in the formation of new atmospheric aerosol particles, yet their exact role in this process has remained unclear. Here we derive a new simple parameterization for ion-induced nucleation or, more precisely, for the formation rate of charged 2-nm particles. The parameterization is semi-empirical in the sense that it is based on comprehensive results of one-year-long atmospheric cluster and particle measurements in the size range ~1–42 nm within the EUCAARI (European Integrated project on Aerosol Cloud Climate and Air Quality interactions project. Data from 12 field sites across Europe measured with different types of air ion and cluster mobility spectrometers were used in our analysis, with more in-depth analysis made using data from four stations with concomitant sulphuric acid measurements. The parameterization is given in two slightly different forms: a more accurate one that requires information on sulfuric acid and nucleating organic vapor concentrations, and a simpler one in which this information is replaced with the global radiation intensity. These new parameterizations are applicable to all large-scale atmospheric models containing size-resolved aerosol microphysics, and a scheme to calculate concentrations of sulphuric acid, condensing organic vapours and cluster ions.

  20. Theory-Based Stakeholder Evaluation (United States)

    Hansen, Morten Balle; Vedung, Evert


    This article introduces a new approach to program theory evaluation called theory-based stakeholder evaluation or the TSE model for short. Most theory-based approaches are program theory driven and some are stakeholder oriented as well. Practically, all of the latter fuse the program perceptions of the various stakeholder groups into one unitary…

  1. Nucleation and growth kinetics of palladium nanoparticles on thin ...

    African Journals Online (AJOL)

    1073 K and deposition time of 1000 s. The nucleation kinetics is interpreted according to the theory of random nucleation. The general scheme is consisting of three stages namely, nucleation, growth and coalescence. The saturation density of ...

  2. Combining Novel Simulation Methods and Nucleation Theory to Uncover the Secrets of Gas Hydrates

    Energy Technology Data Exchange (ETDEWEB)

    Keyes, Thomas [Boston Univ., MA (United States). Dept. of Chemistry


    Conventional computer simulation methods fail for some of the most important problems. With the design and application of innovative algorithms, this project achieved a breakthrough for the case of systems undergoing first-order phase transitions. We gave a complete simulation protocol based upon a well optimized version of our "generalized replica exchange method". The transition of primary interest was gas hydrate formation, a process of significance for climate science and natural gas retrieval. Since hydrates consist of guest molecules in the cages of a water matrix, β ice, the freezing and melting of water was also studied. New information was uncovered about the transition pathways and thermodynamics. Some highlights are 1. the finding that in a very dilute solution without deep supercooling, representative of real-world conditions and very challenging to conventional algorithms, methane can act as a catalyst to drive the formation of large amounts of β ice with empty cages as metastable intermediates, which might be filled by additional methane in a mechanism for hydrate formation, and 2. illumination of the role of metastable cubic ice in water freezing, with determination of the surface tensions of the cubic, hexagonal, and β ices, and the free energy difference of cubic vs hexagonal ice. Work was begun on lipid systems, bilayers and nanoreactors promising for energy-related photoreductions, and targets for future research. Our methods yielded what is arguably the most complete description of the composite lipid/water phases and the transition pathways among them.

  3. Theoretical Studies Of Nucleation Kinetics And Nanodroplet Microstructure

    International Nuclear Information System (INIS)

    Wilemski, Gerald


    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.

  4. Homogeneous nucleation with magic numbers: aluminum. (United States)

    Girshick, Steven L; Agarwal, Pulkit; Truhlar, Donald G


    Homogeneous nucleation of clusters that exhibit magic numbers is studied numerically, using as an example aluminum at 2000 K, based on recent calculations of free energies [Li et al., J. Phys. Chem. C 111, 16227 (2007)] and condensation rate constants [Li and Truhlar, J. Phys. Chem. C 112, 11109 (2008)] that provide a database for Al(i) up to i=60. The nucleation behavior for saturation ratios greater than about 4.5 is found to be dominated by a peak in the free energy change associated with the reaction iAl-->Al(i) at i=55, making it the critical size over a wide range of saturation ratios. Calculated steady-state nucleation rates are many orders of magnitude lower than predicted by classical nucleation theory (CNT). The onset of nucleation is predicted to occur at a saturation ratio of about 13.3, compared to about 5.1 in CNT, while for saturation ratios greater than about 25 the abundance of magic-numbered clusters becomes high enough to invalidate the assumption that cluster growth occurs solely by monomer addition. Transient nucleation is also predicted to be substantially different than predicted by CNT, with a much longer time required to reach steady state: about 10(-4) s at a saturation ratio of 20, compared to about 10(-7) s from CNT. Magic numbers are seen to play an important role in transient nucleation, as the nucleation currents for clusters of adjacent sizes become equal to each other in temporally successive groups, where the largest cluster in each group is the magic-numbered one.

  5. Microstructurally-sensitive fatigue crack nucleation in Ni-based single and oligo crystals (United States)

    Chen, Bo; Jiang, Jun; Dunne, Fionn P. E.


    An integrated experimental, characterisation and computational crystal plasticity study of cyclic plastic beam loading has been carried out for nickel single crystal (CMSX4) and oligocrystal (MAR002) alloys in order to assess quantitatively the mechanistic drivers for fatigue crack nucleation. The experimentally validated modelling provides knowledge of key microstructural quantities (accumulated slip, stress and GND density) at experimentally observed fatigue crack nucleation sites and it is shown that while each of these quantities is potentially important in crack nucleation, none of them in its own right is sufficient to be predictive. However, the local (elastic) stored energy density, measured over a length scale determined by the density of SSDs and GNDs, has been shown to predict crack nucleation sites in the single and oligocrystals tests. In addition, once primary nucleated cracks develop and are represented in the crystal model using XFEM, the stored energy correctly identifies where secondary fatigue cracks are observed to nucleate in experiments. This (Griffith-Stroh type) quantity also correctly differentiates and explains intergranular and transgranular fatigue crack nucleation.

  6. Autocatalytic microtubule nucleation determines the size and mass of Xenopus laevis egg extract spindles. (United States)

    Decker, Franziska; Oriola, David; Dalton, Benjamin; Brugués, Jan


    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.

  7. Critical radius for nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Alexiades, V.; Solomon, A.D.


    The free energy of formation and the critical radius for homogeneous nucleation of a spherical nucleus in supercooled liquid, at given temperature and ambient pressure, are determined, taking fully into account surface area, curvature, and pressure effects. The specific heats and densities of the two phases are allowed to be different and all thermophysical properties are temperature dependent. In the simple case in which classical nucleation theory is valid, the results predict a critical radius of about 40% larger than the classical value, and an activation energy barrier of almost three times larger than the classical value. 8 refs.

  8. Amines in the Earth’s Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters

    Directory of Open Access Journals (Sweden)

    Jason Herb


    Full Text Available The impact of organic species which are present in the Earth’s atmosphere on the burst of new particles is critically important for the understanding of the molecular nature of atmospheric nucleation phenomena. Amines have recently been proposed as possible stabilizers of binary pre-nucleation clusters. In order to advance the understanding of atmospheric nucleation phenomena, a quantum-chemical study of hydrogen-bonded complexes of binary sulfuric acid-water clusters with methyl-, dimethyl- and trimethylamines representing common atmospheric organic species, vegetation products and laboratory impurities has been carried out. The thermochemical stability of the sulfuric acid-amines-water complexes was found to be higher than that of the sulfuric acid-ammonia-water complexes, in qualitative agreement with the previous studies. However, the enhancement in stability due to amines appears to not be large enough to overcome the difference in typical atmospheric concentrations of ammonia and amines. Further research is needed in order to address the existing uncertainties and to reach a final conclusion about the importance of amines for the atmospheric nucleation.

  9. Investigations on nucleation thermodynamical parameters of ...

    Indian Academy of Sciences (India)


    ation thermodynamical parameters like interfacial energy between the solid Nd123 and its flux BaO–CuO, metastable zone-width, Gibbs free energy, critical energy barrier for nucleation and critical nucleation radius have been calculated from the knowledge of solubility data and by applying the classical nucleation theory.

  10. A variational approach to nucleation simulation. (United States)

    Piaggi, Pablo M; Valsson, Omar; Parrinello, Michele


    We study by computer simulation the nucleation of a supersaturated Lennard-Jones vapor into the liquid phase. The large free energy barriers to transition make the time scale of this process impossible to study by ordinary molecular dynamics simulations. Therefore we use a recently developed enhanced sampling method [Valsson and Parrinello, Phys. Rev. Lett.113, 090601 (2014)] based on the variational determination of a bias potential. We differ from previous applications of this method in that the bias is constructed on the basis of the physical model provided by the classical theory of nucleation. We examine the technical problems associated with this approach. Our results are very satisfactory and will pave the way for calculating the nucleation rates in many systems.

  11. Fracture Statistics: Universality vs. Nucleation (United States)

    Shekhawat, Ashivni


    We reexamine several common assumptions about fracture strength, utilizing large-scale simulations of a fuse network model and applying both renormalization-group and nucleation theory methods. Statistical distributions of fracture strengths are believed to be universal and material independent. The universal Weibull and Gumbel distributions emerge as a consequence of the ``weakest-link hypothesis'' and have been studied in the classical theory of extreme value statistics. These distributions are also the fixed points of a renormalization group (RG) flow. However, the engineering community often ignores the Gumbel distribution and uses the Weibull form almost exclusively to fit experimental data. Further, such fits are often extrapolated beyond the available data to estimate the probability of rare events in a variety of applications ranging from structural reliability to insurance pricing. Our recent studies of the random fuse network model raises doubts about most of these practices. We find that the emergent distribution of fracture strengths is the Gumbel distribution. However, the extremely slow convergence to the universal Gumbel form renders it unusable at least in this case. On the other hand, we show that a non-universal distribution derived by using a Griffiths type nucleation theory (due to Duxbury et al.) converges rapidly even for moderate system sizes. We find that while extrapolating the RG based universal Gumbel distribution is perilous and gives wildly incorrect predictions, the nucleation based non-universal results can be extrapolated with confidence. It is entertaining that fracture provides wonderful examples of the statistical mechanics tools developed to study both continuous as well as abrupt phase transitions.

  12. Nonequilibrium thermodynamics of nucleation

    NARCIS (Netherlands)

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


    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

  13. Analytical solution of nucleate pool boiling heat transfer model based on macrolayer (United States)

    Danish, Mohd; Al Mesfer, Mohammed K.


    In the present work, a transient heat conduction model has been developed for heat transfer through macrolayer in nucleate regime of pool boiling. The developed heat transfer model was solved analytically (Laplace Transform) using appropriate initial and boundary conditions. The influence of macrolayer thickness, wall superheat, and time on conduction heat flux has been predicted. The average conduction heat flux as a function of wall superheat and macrolayer thickness has also been predicted. The findings of the study have been compared with experimental results, and they are in reasonable agreement. For higher values of wall superheat, which correspond to nucleate pool boiling, predicted results agree with experimental data. Findings also substantiate the assertion that heat conduction across the macrolayer constitutes the major mode of heat transfer from the heated wall to the boiling liquid in the macrolayer regime of pool boiling.

  14. Effect of nucleating agents on crystallization kinetics of PET

    Directory of Open Access Journals (Sweden)


    Full Text Available Effects of three nucleating agents concluding talc, sodium benzoate (SB and an ionomer (Ion., Na+ on crystallization of poly(ethylene terephthalate (PET were studied by differential scanning calorimetry (DSC and polarized optical microscope (POM, the parameters of crystallization kinetics were obtained through Avrami and Ozawa equations. The fold surface free energy σe of pure PET and PET/nucleating agent blends were calculated by Hoffman-Lauritzen theory. The results indicate that the three kinds of nucleating agents increase the crystallization rate constant through promoting their nucleating effect for PET crystallization, among which SB is the best one with the same content. The crystallization mode of PET might shift from three-dimensional growth to two-dimensional growth by the addition of the nucleating agents. The values of σe of PET/nucleating agent blends are much less than that of pure PET, and PET/SB (99:1 blend has the least value of σe (18.2 mJ/m2. The conclusion based on Hoffman theory is similar to the analysis by Avrami and Ozawa equations.

  15. Heterogeneous ice nucleation on atmospheric aerosols: a review of results from laboratory experiments

    Directory of Open Access Journals (Sweden)

    C. Hoose


    spores and diatoms, tend to be similar to those of dust. These particles may owe their high ice nucleation onsets to their large sizes. Surface-area-dependent parameterizations of heterogeneous ice nucleation are discussed. For immersion freezing on mineral dust, fitted INAS densities are available, but should not be used outside the temperature interval of the data they were based on. Classical nucleation theory, if employed with only one fitted contact angle, does not reproduce the observed temperature dependence for immersion nucleation, the temperature and supersaturation dependence for deposition nucleation, and the time dependence of ice nucleation. Formulations of classical nucleation theory with distributions of contact angles offer possibilities to overcome these weaknesses.

  16. Transformation kinetics for surface and bulk nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Villa, Elena, E-mail: [University of Milan, Department of Mathematics, via Saldini 50, 20133 Milano (Italy); Rios, Paulo R., E-mail: [Universidade Federal Fluminense, Escola de Engenharia Industrial Metalurgica de Volta Redonda, Av. dos Trabalhadores 420, 27255-125 Volta Redonda, RJ (Brazil)] [RWTH Aachen University, Institut fuer Metallkunde und Metallphysik, D-52056 Aachen (Germany)


    A rigorous mathematical approach based on the causal cone and stochastic geometry concepts is used to derive new exact expressions for transformation kinetics theory. General expressions for the mean volume density and the volume fraction are derived for both surface and bulk nucleation in a general Borel subset of R{sup 3}. In practice, probably any specimen shape of engineering interest is going to be a Borel set. An expression is also derived for the important case of polyhedral shape, in which surface nucleation may take place on the faces, edges and vertices of the polyhedron as well as within the bulk. Moreover, explicit expressions are given for surface and bulk nucleation for three specific shapes of engineering relevance: two parallel planes, an infinitely long cylinder and a sphere. Superposition is explained in detail and it permits the treatment of situations in which surface and bulk nucleation take place simultaneously. The new exact expressions presented here result in a significant increase in the number of exactly solvable cases available to formal kinetics.

  17. Experimental investigations on nucleate boiling heat transfer of aqua based reduced graphene oxide nanofluids (United States)

    Kamatchi, R.


    In this work, reduced graphene oxide (rGO) is synthesized from graphite powder and various characterization techniques have been used to study the in-plane crystallite size, number of layers, presence of functional groups and surface morphology. The rGO flakes are dispersed in Millipore water to obtain 0.0005, 0.001, and 0.002 wt.% of rGO-water nanofluids. It is then used in the experimental facility to study the nucleate boiling heat transfer with different heating surfaces viz. smooth and sandblasted surface (SBS). Results of this study indicate (i) an enhancement in heat transfer coefficient (HTC) for concentration upto 0.001 wt.% and deterioration beyond this in the case of smooth surface, and (ii) an increase in HTC with concentrations is observed for SBS and shows a maximum enhancement of about 60% in comparison with smooth surface at 0.002 wt.%. It is found that the presence of secondary cavities (acts as nucleation sites) formed by the rGO flakes during boiling is responsible for the observed phenomena in addition to the possible effect of rGO in the fluid flow.

  18. Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions (United States)

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


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

  19. Twin nucleation in Fe-based bcc alloys—modeling and experiments (United States)

    Ojha, A.; Sehitoglu, H.; Patriarca, L.; Maier, H. J.


    We develop an analytical expression for twin nucleation stress in bcc metal and alloys considering generalized planar fault energy and the dislocations bounding the twin nucleus. We minimize the total energy to predict the twinning stress relying only on parameters that are obtained through atomistic calculations, thus excluding the need for any empirical constants. We validate the present approach by means of precise measurements of the onset of twinning in bcc Fe-50at% Cr single crystals showing excellent agreement. The experimental observations of the three activated slip systems of symmetric configuration in relation to the twinning mechanism are demonstrated via transmission electron microscopy techniques along with digital image correlation. We then confirm the validity of the model for Fe, Fe-25at% Ni and Fe-3at% V alloys compared with experiments from the literature to show general applicability.

  20. A Theory of Immersion Freezing (United States)

    Barahona, Donifan


    Immersion freezing is likely involved in the initiation of precipitation and determines to large extent the phase partitioning in convective clouds. Theoretical models commonly used to describe immersion freezing in atmospheric models are based on the classical nucleation theory which however neglects important interactions near the immersed particle that may affect nucleation rates. This work introduces a new theory of immersion freezing based on two premises. First, immersion ice nucleation is mediated by the modification of the properties of water near the particle-liquid interface, rather than by the geometry of the ice germ. Second, the same mechanism that leads to the decrease in the work of germ formation also decreases the mobility of water molecules near the immersed particle. These two premises allow establishing general thermodynamic constraints to the ice nucleation rate. Analysis of the new theory shows that active sites likely trigger ice nucleation, but they do not control the overall nucleation rate nor the probability of freezing. It also suggests that materials with different ice nucleation efficiency may exhibit similar freezing temperatures under similar conditions but differ in their sensitivity to particle surface area and cooling rate. Predicted nucleation rates show good agreement with observations for a diverse set of materials including dust, black carbon and bacterial ice nucleating particles. The application of the new theory within the NASA Global Earth System Model (GEOS-5) is also discussed.

  1. Ice nucleation at the nanoscale probes no man's land of water. (United States)

    Li, Tianshu; Donadio, Davide; Galli, Giulia


    At a given thermodynamic condition, nucleation events occur at a frequency that scales with the volume of the system. Therefore at the nanoscale, one may expect to obtain supercooled liquids below the bulk homogeneous nucleation temperature. Here we report direct computational evidence that in supercooled water nano-droplets ice nucleation rates are strongly size dependent and at the nanoscale they are several orders of magnitude smaller than in bulk water. Using a thermodynamic model based on classical nucleation theory, we show that the Laplace pressure is partially responsible for the suppression of ice crystallization. Our simulations show that the nucleation rates found for droplets are similar to those of liquid water subject to a pressure of the order of the Laplace pressure within droplets. Our findings aid the interpretation of molecular beam experiments and support the hypothesis of surface crystallization of ice in microscopic water droplets in clouds.

  2. Study on nucleation kinetics of lysozyme crystallization (United States)

    Lin, Chen; Zhang, Yang; Liu, Jing J.; Wang, Xue Z.


    The nucleation kinetics of hen egg-white lysozyme crystallization was investigated using a hot stage cooling crystallizer and a microscope to monitor the solution crystallization process in real time. Images of crystals were continuously recorded under varied precipitant and protein concentrations. The nucleation rate was found to be higher at higher precipitant concentration, and increase monotonically with protein concentration if the precipitant concentration was held constant. Attempt was made to interpret the experimental data using classical nucleation theory. It was found that the model predictions are lower than the experimental values at low supersaturations but agree well with experimental data at high supersaturations. The trends in the experimental data suggest that two nucleation mechanisms might co-exist: heterogeneous nucleation seems to be the dominant at low supersaturation while at higher supersaturation homogeneous nucleation seems to play the major role.

  3. A water activity based model of heterogeneous ice nucleation kinetics for freezing of water and aqueous solution droplets. (United States)

    Knopf, Daniel A; Alpert, Peter A


    Immersion freezing of water and aqueous solutions by particles acting as ice nuclei (IN) is a common process of heterogeneous ice nucleation which occurs in many environments, especially in the atmosphere where it results in the glaciation of clouds. Here we experimentally show, using a variety of IN types suspended in various aqueous solutions, that immersion freezing temperatures and kinetics can be described solely by temperature, T, and solution water activity, a(w), which is the ratio of the vapour pressure of the solution and the saturation water vapour pressure under the same conditions and, in equilibrium, equivalent to relative humidity (RH). This allows the freezing point and corresponding heterogeneous ice nucleation rate coefficient, J(het), to be uniquely expressed by T and a(w), a result we term the a(w) based immersion freezing model (ABIFM). This method is independent of the nature of the solute and accounts for several varying parameters, including cooling rate and IN surface area, while providing a holistic description of immersion freezing and allowing prediction of freezing temperatures, J(het), frozen fractions, ice particle production rates and numbers. Our findings are based on experimental freezing data collected for various IN surface areas, A, and cooling rates, r, of droplets variously containing marine biogenic material, two soil humic acids, four mineral dusts, and one organic monolayer acting as IN. For all investigated IN types we demonstrate that droplet freezing temperatures increase as A increases. Similarly, droplet freezing temperatures increase as the cooling rate decreases. The log10(J(het)) values for the various IN types derived exclusively by Tand a(w), provide a complete description of the heterogeneous ice nucleation kinetics. Thus, the ABIFM can be applied over the entire range of T, RH, total particulate surface area, and cloud activation timescales typical of atmospheric conditions. Lastly, we demonstrate that ABIFM can

  4. Al2O3 on WSe2 by ozone based atomic layer deposition: Nucleation and interface study (United States)

    Azcatl, Angelica; Wang, Qingxiao; Kim, Moon J.; Wallace, Robert M.


    In this work, the atomic layer deposition process using ozone and trimethylaluminum (TMA) for the deposition of Al2O3 films on WSe2 was investigated. It was found that the ozone-based atomic layer deposition enhanced the nucleation of Al2O3 in comparison to the water/TMA process. In addition, the chemistry at the Al2O3/WSe2 interface and the surface morphology of the Al2O3 films exhibited a dependence on the deposition temperature. A non-covalent functionalizing effect of ozone on WSe2 at low deposition temperatures 30 °C was identified which prevented the formation of pinholes in the Al2O3 films. These findings aim to provide an approach to obtain high-quality gate dielectrics on WSe2 for two-dimensional transistor applications.

  5. Nucleation of Graphene Layers on Magnetic Oxides: Co3O4(111) and Cr2O3(0001) from Theory and Experiment. (United States)

    Beatty, John; Cheng, Tao; Cao, Yuan; Driver, M Sky; Goddard, William A; Kelber, Jeffry A


    We report directly grown strongly adherent graphene on Co 3 O 4 (111) by carbon molecular beam epitaxy (C MBE) at 850 K and density functional theory (DFT) findings that the first graphene layer is reconstructed to fit the Co 3 O 4 surface, while subsequent layers retain normal graphene structure. This adherence to the Co 3 O 4 structure results from partial bonding of half the carbons to top oxygens of the substrate. This structure is validated by X-ray photoelectron spectroscopy and low-energy electron diffraction studies, showing layer-by-layer graphene growth with ∼0.08 electrons/carbon atom transferred to the oxide from the first graphene layer, in agreement with DFT. In contrast, for Cr 2 O 3 DFT finds no strong bonding to the surface and C MBE on Cr 2 O 3 (0001) yields only graphite formation at 700 K, with C desorption above 800 K. Thus strong graphene-to-oxide charge transfer aids nucleation of graphene on incommensurate oxide substrates and may have implications for spintronics.

  6. Effect of ions on sulfuric acid-water binary particle formation: 2. Experimental data and comparison with QC-normalized classical nucleation theory

    CERN Document Server

    Duplissy, J.; Franchin, A.; Tsagkogeorgas, G.; Kangasluoma, J.; Wimmer, D.; Vuollekoski, H.; Schobesberger, S.; Lehtipalo, K.; Flagan, R. C.; Brus, D.; Donahue, N. M.; Vehkamäki, H.; Almeida, J.; Amorim, A.; Barmet, P.; Bianchi, F.; Breitenlechner, M.; Dunne, E. M.; Guida, R.; Henschel, H.; Junninen, H.; Kirkby, J.; Kürten, A.; Kupc, A.; Määttänen, A.; Makhmutov, V.; Mathot, S.; Nieminen, T.; Onnela, A.; Praplan, A. P.; Riccobono, F.; Rondo, L.; Steiner, G.; Tome, A.; Walther, H.; Baltensperger, U.; Carslaw, K. S.; Dommen, J.; Hansel, A.; Petäjä, T.; Sipilä, M.; Stratmann, F.; Vrtala, A.; Wagner, P. E.; Worsnop, D. R.; Curtius, J.; Kulmala, M.


    We report comprehensive, demonstrably contaminant‐free measurements of binary particle formation rates by sulfuric acid and water for neutral and ion‐induced pathways conducted in the European Organization for Nuclear Research Cosmics Leaving Outdoor Droplets chamber. The recently developed Atmospheric Pressure interface‐time of flight‐mass spectrometer was used to detect contaminants in charged clusters and to identify runs free of any contaminants. Four parameters were varied to cover ambient conditions: sulfuric acid concentration (105 to 109 mol cm−3), relative humidity (11% to 58%), temperature (207 K to 299 K), and total ion concentration (0 to 6800 ions cm−3). Formation rates were directly measured with novel instruments at sizes close to the critical cluster size (mobility size of 1.3 nm to 3.2 nm). We compare our results with predictions from Classical Nucleation Theory normalized by Quantum Chemical calculation (QC‐normalized CNT), which is described in a companion pape...

  7. New trends in the nucleation research (United States)

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


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

  8. Pressure in the Landau-Ginzburg functional: Pascal's law, nucleation in fluid mixtures, a meanfield theory of amphiphilic action, and interface wetting in glassy liquids (United States)

    Chan, Ho Yin; Lubchenko, Vassiliy


    We set up the problem of finding the transition state for phase nucleation in multi-component fluid mixtures, within the Landau-Ginzburg density functional. We establish an expression for the coordinate-dependent local pressure that applies to mixtures, arbitrary geometries, and certain non-equilibrium configurations. The expression allows one to explicitly evaluate the pressure in spherical geometry, à la van der Waals. Pascal's law is recovered within the Landau-Ginzburg density functional theory, formally analogously to how conservation of energy is recovered in the Lagrangian formulation of mechanics. We establish proper boundary conditions for certain singular functional forms of the bulk free energy density that allow one to obtain droplet solutions with thick walls in essentially closed form. The hydrodynamic modes responsible for mixing near the interface are explicitly identified in the treatment; the composition at the interface is found to depend only weakly on the droplet size. Next we develop a Landau-Ginzburg treatment of the effects of amphiphiles on the surface tension; the amphiphilic action is seen as a violation of Pascal's law. We explicitly obtain the binding potential for the detergent at the interface and the dependence of the down-renormalization of the surface tension on the activity of the detergent. Finally, we argue that the renormalization of the activation barrier for escape from long-lived structures in glassy liquids can be viewed as an action of uniformly seeded, randomly oriented amphiphilic molecules on the interface separating two dissimilar aperiodic structures. This renormalization is also considered as a "wetting" of the interface. The resulting conclusions are consistent with the random first order transition theory.

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

    Directory of Open Access Journals (Sweden)

    B. Verheggen


    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.

  10. Ice nucleation from aqueous NaCl droplets with and without marine diatoms

    Directory of Open Access Journals (Sweden)

    P. A. Alpert


    Full Text Available Ice formation in the atmosphere by homogeneous and heterogeneous nucleation is one of the least understood processes in cloud microphysics and climate. Here we describe our investigation of the marine environment as a potential source of atmospheric IN by experimentally observing homogeneous ice nucleation from aqueous NaCl droplets and comparing against heterogeneous ice nucleation from aqueous NaCl droplets containing intact and fragmented diatoms. Homogeneous and heterogeneous ice nucleation are studied as a function of temperature and water activity, aw. Additional analyses are presented on the dependence of diatom surface area and aqueous volume on heterogeneous freezing temperatures, ice nucleation rates, ωhet, ice nucleation rate coefficients, Jhet, and differential and cumulative ice nuclei spectra, k(T and K(T, respectively. Homogeneous freezing temperatures and corresponding nucleation rate coefficients are in agreement with the water activity based homogeneous ice nucleation theory within experimental and predictive uncertainties. Our results confirm, as predicted by classical nucleation theory, that a stochastic interpretation can be used to describe the homogeneous ice nucleation process. Heterogeneous ice nucleation initiated by intact and fragmented diatoms can be adequately represented by a modified water activity based ice nucleation theory. A horizontal shift in water activity, Δaw, het = 0.2303, of the ice melting curve can describe median heterogeneous freezing temperatures. Individual freezing temperatures showed no dependence on available diatom surface area and aqueous volume. Determined at median diatom freezing temperatures for aw from 0.8 to 0.99, ωhet~0.11+0.06−0.05 s−1, Jhet~1.0+1.16−0.61×104 cm−2

  11. Comparing crystal-melt interfacial free energies through homogeneous nucleation rates

    International Nuclear Information System (INIS)

    Bai Xianming; Li Mo


    In this work, we compared several available crystal-melt interfacial free energies via homogeneous nucleation rates in a pure Lennard-Jones model system using both model fitting and numerical methods. We examined the homogeneous nucleation temperature obtained from the classical nucleation theory using the available interfacial free energies from three different methods as inputs, i.e. the free energy integration method, the interface fluctuation method and the classical nucleation theory based method. We found that the critical temperature obtained by using the interfacial free energy calculated recently (Bai and Li 2006 J. Chem. Phys. 124 124707) is in better agreement with that obtained from spontaneous crystallization in an independent molecular dynamics simulation. The discrepancies among the interface energies are discussed in light of these results

  12. Nonclassical nucleation pathways in protein crystallization (United States)

    Zhang, Fajun


    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.

  13. Nucleation and structural growth of cluster crystals

    International Nuclear Information System (INIS)

    Leitold, Christian; Dellago, Christoph


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

  14. The nucleation of HCl and Cl{sub 2}-based HVPE GaN on mis-oriented sapphire substrates

    Energy Technology Data Exchange (ETDEWEB)

    Bohnen, Tim; Dreumel, Gerbe W.G. van; Enckevort, Willem J.P. van; Ashraf, Hina; Jong, Aryan E.F. de; Hageman, Paul R.; Vlieg, Elias [IMM, Radboud University, Nijmegen (Netherlands); Weyher, Jan L. [Institute of High Pressure Physics, Polish Academy of Sciences, Warsaw (Poland)


    The nucleation of both classic HCl-based and novel Cl{sub 2{sup -}} based HVPE GaN on mis-oriented sapphire substrates was investigated. The use of Cl{sub 2}in HVPE increases the growth rate by a factor of 4-5 and strongly reduces the parasitic deposition, allowing for the growth of much thicker wafers than HCl-based HVPE. Morphological SEM surface studies of the HCl-based HVPE sample surface show that at 600 C a nanocrystalline layer is deposited on the sapphire. During the subsequent annealing phase, the morphology changes to a {mu}m-sized island structure. During overgrowth at 1080 C, the islands coalesce. Small voids or pinholes are then formed in between the coalescing GaN islands. These pinholes lead to numerous pits on the surface of the GaN at thicknesses of 5 {mu}m. The pits disappear during continued overgrowth and can no longer be found on the surface, when the GaN film reaches a thickness of 45 {mu}m. This particular coalescence mechanism also applies to Cl{sub 2}-based HVPE GaN on sapphire (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

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

    International Nuclear Information System (INIS)

    Wu, Yefei.


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

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


    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.

  17. Vapor nucleation paths in lyophobic nanopores. (United States)

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


    liquids in mesoporous materials of characteristic size of ca. 4nm, the nanoscale effects reported for smaller pores have a minor role. The atomistic estimates for the nucleation free-energy barrier are in qualitative accord with those that can be obtained using a macroscopic, capillary-based nucleation theory.

  18. Evaluation of the use of Classical Nucleation Theory for predicting intestinal crystalline precipitation of two weakly basic BSC class II drugs. (United States)

    Carlert, Sara; Lennernäs, Hans; Abrahamsson, Bertil


    The aim of this work was to evaluate an in vitro-in silico approach for prediction of small intestinal crystalline precipitation and drug absorption of two weakly basic model BCS class II drugs, AZD0865 and mebendazole. The crystallization rates were investigated in an in vitro method using simulated gastric and intestinal media, and the result was modeled by using Classical Nucleation Theory (CNT). The effect of varying in vitro parameters (initial drug concentration, rate of mixing gastric and intestinal fluid, stirring and filtration) on the interfacial tension γ, being a key parameter in CNT, was investigated. The initial drug concentration had the most significant effect on γ for both substances tested, although γ is a fundamental parameter independent of concentration according to CNT. In the subsequent in silico prediction of drug absorption, by use of a Compartmental and Transit intestinal model, an empirical approach was used where γ was allowed to vary with simulated small intestinal concentrations. The in silico predictions were compared to published human in vivo plasma drug concentration data for different doses of AZD0865 and dog intestinal drug concentrations, amount precipitated in intestine and plasma concentrations for mebendazole. The results showed that lack of significant crystallization effects on absorption in man of the model drug AZD0865 up to doses of 4 mg/kg could be predicted which was in accordance with in vivo data. Mebendazole intestinal precipitation in canines was also well described by the model, where mean predicted amount precipitated was 136% (range 111-164%) of measured solid amount, and mean predicted intestinal concentration was 94% (range 59-147%) of measured concentration. In conclusion, the in vitro-in silico approach can be used for predictions of absorption effects of crystallization, but the model could benefit from further development work on the theoretical crystallization model and in vitro experimental design

  19. Detached Melt Nucleation during Diffusion Brazing of a Technical Ni-based Superalloy: A Phase-Field Study (United States)

    Böttger, B.; Apel, M.; Laux, B.; Piegert, S.


    Advanced solidification processes like welding, soldering, and brazing are often characterized by their specific solidification conditions. But they also may include different types of melting processes which themselves are strongly influenced by the initial microstructures and compositions of the applied materials and therefore are decisive for the final quality and mechanical properties of the joint. Such melting processes are often not well- understood because - compared to other fields of solidification science - relatively little research has been done on melting by now. Also, regarding microstructure simulation, melting has been strongly neglected in the past, although this process is substantially different from solidification due to the reversed diffusivities of the involved phases. In this paper we present phase-field simulations showing melting, solidification and precipitation of intermetallic phases during diffusion brazing of directionally solidified and heat-treated high-alloyed Ni- based gas turbine blade material using different boron containing braze alloys. Contrary to the common belief, melting of the base material is not always planar and can be further accompanied by detached nucleation and growth of a second liquid phase inside the base material leading to polycrystalline morphologies of the joint after solidification. These findings are consistent with results from brazed laboratory samples, which were characterized by EDX and optical microscopy, and can be explained in terms of specific alloy thermodynamics and inter-diffusion kinetics. Consequences of the gained new understanding for brazing of high- alloyed materials are discussed.

  20. Earth's inner core nucleation paradox (United States)

    Huguet, Ludovic; Van Orman, James A.; Hauck, Steven A.; Willard, Matthew A.


    The conventional view of Earth's inner core is that it began to crystallize at Earth's center when the temperature dropped below the melting point of the iron alloy and has grown steadily since that time as the core continued to cool. However, this model neglects the energy barrier to the formation of the first stable crystal nucleus, which is commonly represented in terms of the critical supercooling required to overcome the barrier. Using constraints from experiments, simulations, and theory, we show that spontaneous crystallization in a homogeneous liquid iron alloy at Earth's core pressures requires a critical supercooling of order 1000 K, which is too large to be a plausible mechanism for the origin of Earth's inner core. We consider mechanisms that can lower the nucleation barrier substantially. Each has caveats, yet the inner core exists: this is the nucleation paradox. Heterogeneous nucleation on a solid metallic substrate tends to have a low energy barrier and offers the most straightforward solution to the paradox, but solid metal would probably have to be delivered from the mantle and such events are unlikely to have been common. A delay in nucleation, whether due to a substantial nucleation energy barrier, or late introduction of a low energy substrate, would lead to an initial phase of rapid inner core growth from a supercooled state. Such rapid growth may lead to distinctive crystallization texturing that might be observable seismically. It would also generate a spike in chemical and thermal buoyancy that could affect the geomagnetic field significantly. Solid metal introduced to Earth's center before it reached saturation could also provide a nucleation substrate, if large enough to escape complete dissolution. Inner core growth, in this case, could begin earlier and start more slowly than standard thermal models predict.

  1. Molecular sizes of lichen ice nucleation sites determined by gamma radiation inactivation analysis

    International Nuclear Information System (INIS)

    Kieft, T.L.; Ruscetti, T.


    It has previously been shown that some species of lichen fungi contain proteinaceous ice nuclei which are active at temperatures as warm as −2 °C. This experiment was undertaken to determine the molecular sizes of ice nuclei in the lichen fungus Rhizoplaca chrysoleuca and to compare them to bacterial ice nuclei from Pseudomonas syringae. Gamma radiation inactivation analysis was used to determine molecular weights. Radiation inactivation analysis is based on target theory, which states that the likelihood of a molecule being inactivated by gamma rays increases as its size increases. Three different sources of ice nuclei from the lichen R. chrysoleuca were tested: field-collected lichens, extract of lichen fungus, and a pure culture of the fungus R. chrysoleuca. P. syringae strain Cit7 was used as a source of bacterial ice nuclei. Samples were lyophilized, irradiated with gamma doses ranging from 0 to 10.4 Mrads, and then tested for ice nucleation activity using a droplet-freezing assay. Data for all four types of samples were in rough agreement; sizes of nucleation sites increased logarithmically with increasing temperatures of ice nucleation activity. Molecular weights of nucleation sites active between −3 and −4 °C from the bacteria and from the field-collected lichens were approximately 1.0 × 10 6 Da. Nuclei from the lichen fungus and in the lichen extract appeared to be slightly smaller but followed the same log-normal pattern with temperature of ice nucleation activity. The data for both the bacterial and lichen ice nuclei are in agreement with ice nucleation theory which states that the size of ice nucleation sites increases logarithmically as the temperature of nucleation increases linearly. This suggests that although some differences exist between bacterial and lichen ice nucleation sites, their molecular sizes are quite similar

  2. Using rheometry to determine nucleation density in a colored system containing a nucleating agent

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Zhe; Steenbakkers, Rudi J.A.; Peters, Gerrit W.M. [Eindhoven University of Technology, Materials Technology, Department of Mechanical Engineering, Eindhoven (Netherlands); Giboz, Julien [Universite de Savoie, LMOPS, CNRS UMR5041, Le Bourget-du-Lac (France)


    A new suspension-based rheological method was applied to experimentally study the crystallization of a nucleating agent (NA) filled isotactic polypropylene. This method allows for determination of point nucleation densities where other methods fail. For example, optical microscopy can fail because nucleation densities become too high to be counted (materials with effective NA) or crystallites are not easily visible (colored materials), while differential scanning calorimetry does not allow the effect of flow to be studied. Both quiescent and mild-shear-induced crystallization were investigated. The results show that the addition of a nucleating agent increases the nucleation density by six decades for quiescent crystallization. The effect of shear on crystallization in the presence of a nucleating agent was assessed, and it is demonstrated that, at least for this system, the effect of shear is much smaller than the effect of the nucleating agent. (orig.)

  3. Theory-Based Evaluation Meets Ambiguity

    DEFF Research Database (Denmark)

    Dahler-Larsen, Peter


    As theory-based evaluation (TBE) engages in situations where multiple stakeholders help develop complex program theory about dynamic phenomena in politically contested settings, it becomes difficult to develop and use program theory without ambiguity. The purpose of this article is to explore...... ambiguity as a fruitful perspective that helps TBE face current challenges. Literatures in organization theory and political theory are consulted in order to cultivate the concept of ambiguity. Janus variables (which work in two ways) and other ambiguous aspects of program theories are classified...

  4. A New Approach to Fatigue Life Prediction Based on Nucleation and Growth (Preprint)

    National Research Council Canada - National Science Library

    McClung, R. C; Francis, W. L; Hudak, S. J


    Prediction of total fatigue life in components is often performed by summing "initiation" and "propagation" life phases, where initiation life is based on stress-life or strain-life methods calibrated...

  5. Uncorrelated multiple conductive filament nucleation and rupture in ultra-thin high-κ dielectric based resistive random access memory

    KAUST Repository

    Wu, Xing


    Resistive switching in transition metal oxides could form the basis for next-generation non-volatile memory (NVM). It has been reported that the current in the high-conductivity state of several technologically relevant oxide materials flows through localized filaments, but these filaments have been characterized only individually, limiting our understanding of the possibility of multiple conductive filaments nucleation and rupture and the correlation kinetics of their evolution. In this study, direct visualization of uncorrelated multiple conductive filaments in ultra-thin HfO2-based high-κ dielectricresistive random access memory (RRAM) device has been achieved by high-resolution transmission electron microscopy (HRTEM), along with electron energy loss spectroscopy(EELS), for nanoscale chemical analysis. The locations of these multiple filaments are found to be spatially uncorrelated. The evolution of these microstructural changes and chemical properties of these filaments will provide a fundamental understanding of the switching mechanism for RRAM in thin oxide films and pave way for the investigation into improving the stability and scalability of switching memory devices.

  6. Molecular-dynamics simulations of urea nucleation from aqueous solution (United States)

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


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

  7. Viscosity of interfacial water regulates ice nucleation

    International Nuclear Information System (INIS)

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


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

  8. Facile nucleation of gold nanoparticles on graphene-based thin films from Au144 molecular precursors (United States)

    Venter, Andrei; Hesari, Mahdi; Shafiq Ahmed, M.; Bauld, Reg; Workentin, Mark S.; Fanchini, Giovanni


    We demonstrate a facile and cost effective method to obtain gold nanoparticles on graphene by dispersing Au144 molecular nanoclusters by spin coating them in thin layers on graphene-based films and subsequent annealing in a controlled atmosphere. The graphene-based thin films used for these experiments are prepared by solvent-assisted exfoliation of graphite in water in the presence of ribonucleic acid as a surfactant and by subsequent vacuum filtration of the resulting graphene-containing suspensions. Not only is this method easily reproducible, but it leads to gold nanoparticles that are not dependent in size on the number of graphene layers beneath them. This is a distinct advantage over other methods. Plasmonic effects have been detected in our gold nanoparticle-decorated graphene layers, indicating that these thin films may be useful in applications such as plasmonic solar cells and optical memory devices.

  9. Nucleation studies of ZTC doped with L-arginine in supersaturated aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Balu, T. [Department of Physics, Aditanar College of Arts and Science, Tiruchendur 628 216 (India); Rajasekaran, T.R., E-mail: [Department of Physics, Manonmaniam Sundaranar University, Tirunelveli 627 012 (India); Murugakoothan, P. [Post Graduate and Research Department of Physics, Pachaiyappa' s College, Chennai 600 030 (India)


    The metastable zonewidth studies are carried out for various temperatures for supersaturated aqueous solutions of zinc thiourea chloride added with 1 mole % of L-arginine. The metastable zonewidth is increased with the addition of L-arginine. The induction period is experimentally determined and various critical nucleation parameters such as radius of critical nucleus, number of molecules in the critical nucleus, critical free energy of nucleus and interfacial tension are also calculated based on the classical theory for homogeneous crystal nucleation. The induction period is increased with the increase of L-arginine addition. The critical nucleation parameters vary with increase in doping concentration. It is also observed that the nucleation rate increases with the increase of supersaturation. The second harmonic generation (SHG) efficiency measurements are carried out with different doping concentration of L-arginine reveal that nonlinear optical (NLO) property is enhanced by L-arginine dopant.

  10. Toward Predictive Understanding of Fatigue Crack Nucleation in Ni-Based Superalloys (United States)

    Jiang, Jun; Dunne, Fionn P. E.; Britton, T. Ben


    Predicting when and where materials fail is a holy grail for structural materials engineering. Development of a predictive capability in this domain will optimize the employment of existing materials, as well as rapidly enhance the uptake of new materials, especially in high-risk, high-value applications, such as aeroengines. In this article, we review and outline recent efforts within our research groups that focus on utilizing full-field measurement and calculation of micromechanical deformation in Ni-based superalloys. In paticular, we employ high spatial resolution digital image correlation (HR-DIC) to measure surface strains and a high-angular resolution electron backscatter diffraction technique (HR-EBSD) to measure elastic distortion, and we combine these with crystal plasticity finite element (CPFE) modeling. We target our studies within a system of samples that includes single, oligo, and polycrystals where the boundary conditions, microstructure, and loading configuration are precisely controlled. Coupling of experiment and simulation in this manner enables enhanced understanding of crystal plasticity, as demonstrated with case studies in deformation compatibility; spatial distributions of slip evolution; deformation patterning around microstructural defects; and ultimately development of predictive capability that probes the location of microstructurally sensitive fatigue cracks. We believe that these studies present a careful calibration and validation of our experimental and simulation-based approaches and pave the way toward new understanding of crack formation in engineering alloys.

  11. Effects of shear flow on phase nucleation and crystallization (United States)

    Mura, Federica; Zaccone, Alessio


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

  12. Cloud condensation nuclei production associated with atmospheric nucleation: a synthesis based on existing literature and new results

    Directory of Open Access Journals (Sweden)

    V.-M. Kerminen


    Full Text Available This paper synthesizes the available scientific information connecting atmospheric nucleation with subsequent cloud condensation nuclei (CCN formation. We review both observations and model studies related to this topic, and discuss the potential climatic implications. We conclude that CCN production associated with atmospheric nucleation is both frequent and widespread phenomenon in many types of continental boundary layers, and probably also over a large fraction of the free troposphere. The contribution of nucleation to the global CCN budget spans a relatively large uncertainty range, which, together with our poor understanding of aerosol-cloud interactions, results in major uncertainties in the radiative forcing by atmospheric aerosols. In order to better quantify the role of atmospheric nucleation in CCN formation and Earth System behavior, more information is needed on (i the factors controlling atmospheric CCN production and (ii the properties of both primary and secondary CCN and their interconnections. In future investigations, more emphasis should be put on combining field measurements with regional and large-scale model studies.

  13. Vocation in theology-based nursing theories. (United States)

    Lundmark, Mikael


    By using the concepts of intrinsicality/extrinsicality as analytic tools, the theology-based nursing theories of Ann Bradshaw and Katie Eriksson are analyzed regarding their explicit and/or implicit understanding of vocation as a motivational factor for nursing. The results show that both theories view intrinsic values as guarantees against reducing nursing practice to mechanistic applications of techniques and as being a way of reinforcing a high ethical standard. The theories explicitly (Bradshaw) or implicitly (Eriksson) advocate a vocational understanding of nursing as being essential for nursing theories. Eriksson's theory has a potential for conceptualizing an understanding of extrinsic and intrinsic motivational factors for nursing but one weakness in the theory could be the risk of slipping over to moral judgments where intrinsic factors are valued as being superior to extrinsic. Bradshaw's theory is more complex and explicit in understanding the concept of vocation and is theologically more plausible, although also more confessional.

  14. Computer-based theory of strategies

    Energy Technology Data Exchange (ETDEWEB)

    Findler, N.V.


    Some of the objectives and working tools of a new area of study, tentatively called theory of strategies, are described. It is based on the methodology of artificial intelligence, decision theory, utility theory, operations research and digital gaming. The latter refers to computing activity that incorporates model building, simulation and learning programs in conflict situations. The author also discusses three long-term projects which aim at automatically analyzing and synthesizing strategies. 27 references.

  15. Assessment of the theoretical basis of the Rule of Additivity for the nucleation incubation time during continuous cooling

    International Nuclear Information System (INIS)

    Zhu, Y.T.; Lowe, T.C.; Asaro, R.J.


    The rule of additivity was first proposed by Scheil and Steinberg for predicting the incubation time for nucleation of solid phases during continuous-cooling phase transformations, and has since been widely used for both the nucleation incubation and the entire process of phase transformation. While having been successfully used to calculate the transformed volume fraction during continuous cooling in many steel alloy systems, there is experimental evidence that shows rule of additivity to be invalid for describing the incubation time for nucleation. Attempts to prove the validity of the rule of additivity for the incubation time have not met with much success, and much confusion still exists about its applicability to the incubation time. This article investigates the additivity of the consumption of the incubation time for nucleation during continuous cooling through an analysis based upon classical nucleation theory. It is rigorously demonstrated that the rule of additivity is invalid for the incubation time for nucleation. However, in practice, the relative error caused by using the rule of additivity could be very small in many cases due to the resolution limit of current experimental techniques. The present theory provides an explanation for the failure of the rule of additivity in predicting the incubation time for nucleation during continuous cooling. copyright 1997 American Institute of Physics

  16. Current state of aerosol nucleation parameterizations for air-quality and climate modeling (United States)

    Semeniuk, Kirill; Dastoor, Ashu


    Aerosol nucleation parameterization models commonly used in 3-D air quality and climate models have serious limitations. This includes classical nucleation theory based variants, empirical models and other formulations. Recent work based on detailed and extensive laboratory measurements and improved quantum chemistry computation has substantially advanced the state of nucleation parameterizations. In terms of inorganic nucleation involving BHN and THN including ion effects these new models should be considered as worthwhile replacements for the old models. However, the contribution of organic species to nucleation remains poorly quantified. New particle formation consists of a distinct post-nucleation growth regime which is characterized by a strong Kelvin curvature effect and is thus dependent on availability of very low volatility organic species or sulfuric acid. There have been advances in the understanding of the multiphase chemistry of biogenic and anthropogenic organic compounds which facilitate to overcome the initial aerosol growth barrier. Implementation of processes influencing new particle formation is challenging in 3-D models and there is a lack of comprehensive parameterizations. This review considers the existing models and recent innovations.

  17. Atomic Scale Imaging of Nucleation and Growth Trajectories of an Interfacial Bismuth Nanodroplet. (United States)

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


    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.

  18. application of decision theory based criteria

    African Journals Online (AJOL)


    Nov 3, 2012 ... APPLICATION OF DECISION THEORY BASED CRITERIA FOR. STRUCTURAL APPRAISAL OF A BUILDING DURING. CONSTRUCTION. C. Nwaobakata, S. Sulea. Department of Civil and Environmental Engineering, University of Port Harcourt, Rivers State, Nigeria. Email:

  19. Free energy of cluster formation and a new scaling relation for the nucleation rate

    International Nuclear Information System (INIS)

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


    Recent very large molecular dynamics simulations of homogeneous nucleation with (1 − 8) × 10 9 Lennard-Jones atoms [J. Diemand, R. Angélil, K. K. Tanaka, and H. Tanaka, J. Chem. Phys. 139, 074309 (2013)] allow us to accurately determine the formation free energy of clusters over a wide range of cluster sizes. This is now possible because such large simulations allow for very precise measurements of the cluster size distribution in the steady state nucleation regime. The peaks of the free energy curves give critical cluster sizes, which agree well with independent estimates based on the nucleation theorem. Using these results, we derive an analytical formula and a new scaling relation for nucleation rates: ln J ′ /η is scaled by ln S/η, where the supersaturation ratio is S, η is the dimensionless surface energy, and J ′ is a dimensionless nucleation rate. This relation can be derived using the free energy of cluster formation at equilibrium which corresponds to the surface energy required to form the vapor-liquid interface. At low temperatures (below the triple point), we find that the surface energy divided by that of the classical nucleation theory does not depend on temperature, which leads to the scaling relation and implies a constant, positive Tolman length equal to half of the mean inter-particle separation in the liquid phase

  20. Towards establishing a combined rate law of nucleation and crystal growth - The case study of gypsum precipitation (United States)

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


    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.

  1. Heterogeneous ice nucleation in aqueous solutions: the role of water activity. (United States)

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


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

  2. Computer-based theory of strategies

    Energy Technology Data Exchange (ETDEWEB)

    Findler, N.V.


    Some of the objectives and working tools of a new area of study, tentatively called theory of strategies, are described. It is based on the methodology of artificial intelligence, decision theory, operations research and digital gaming. The latter refers to computing activity that incorporates model building, simulation and learning programs in conflict situations. Three long-term projects which aim at automatically analyzing and synthesizing strategies are discussed. 27 references.

  3. The influence of ion hydration on nucleation and growth of LiF crystals in aqueous solution (United States)

    Lanaro, G.; Patey, G. N.


    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.

  4. Deconvoluting the effects of surface chemistry and nanoscale topography: Pseudomonas aeruginosa biofilm nucleation on Si-based substrates. (United States)

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


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

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

    Directory of Open Access Journals (Sweden)

    O. Möhler


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

  6. How important is biological ice nucleation in clouds on a global scale?

    International Nuclear Information System (INIS)

    Hoose, C; Kristjansson, J E; Burrows, S M


    The high ice nucleating ability of some biological particles has led to speculations about living and dead organisms being involved in cloud ice and precipitation formation, exerting a possibly significant influence on weather and climate. In the present study, the role of primary biological aerosol particles (PBAPs) as heterogeneous ice nuclei is investigated with a global model. Emission parametrizations for bacteria, fungal spores and pollen based on recent literature are introduced, as well as an immersion freezing parametrization based on classical nucleation theory and laboratory measurements. The simulated contribution of PBAPs to the global average ice nucleation rate is only 10 -5 %, with an uppermost estimate of 0.6%. At the same time, observed PBAP concentrations in air and biological ice nucleus concentrations in snow are reasonably well captured by the model. This implies that 'bioprecipitation' processes (snow and rain initiated by PBAPs) are of minor importance on the global scale.

  7. Dimers in nucleating vapors (United States)

    Lushnikov, A. A.; Kulmala, M.


    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).

  8. A Monte Carlo method for the simulation of coagulation and nucleation based on weighted particles and the concepts of stochastic resolution and merging

    Energy Technology Data Exchange (ETDEWEB)

    Kotalczyk, G., E-mail:; Kruis, F.E.


    Monte Carlo simulations based on weighted simulation particles can solve a variety of population balance problems and allow thus to formulate a solution-framework for many chemical engineering processes. This study presents a novel concept for the calculation of coagulation rates of weighted Monte Carlo particles by introducing a family of transformations to non-weighted Monte Carlo particles. The tuning of the accuracy (named ‘stochastic resolution’ in this paper) of those transformations allows the construction of a constant-number coagulation scheme. Furthermore, a parallel algorithm for the inclusion of newly formed Monte Carlo particles due to nucleation is presented in the scope of a constant-number scheme: the low-weight merging. This technique is found to create significantly less statistical simulation noise than the conventional technique (named ‘random removal’ in this paper). Both concepts are combined into a single GPU-based simulation method which is validated by comparison with the discrete-sectional simulation technique. Two test models describing a constant-rate nucleation coupled to a simultaneous coagulation in 1) the free-molecular regime or 2) the continuum regime are simulated for this purpose.

  9. A Monte Carlo method for the simulation of coagulation and nucleation based on weighted particles and the concepts of stochastic resolution and merging (United States)

    Kotalczyk, G.; Kruis, F. E.


    Monte Carlo simulations based on weighted simulation particles can solve a variety of population balance problems and allow thus to formulate a solution-framework for many chemical engineering processes. This study presents a novel concept for the calculation of coagulation rates of weighted Monte Carlo particles by introducing a family of transformations to non-weighted Monte Carlo particles. The tuning of the accuracy (named 'stochastic resolution' in this paper) of those transformations allows the construction of a constant-number coagulation scheme. Furthermore, a parallel algorithm for the inclusion of newly formed Monte Carlo particles due to nucleation is presented in the scope of a constant-number scheme: the low-weight merging. This technique is found to create significantly less statistical simulation noise than the conventional technique (named 'random removal' in this paper). Both concepts are combined into a single GPU-based simulation method which is validated by comparison with the discrete-sectional simulation technique. Two test models describing a constant-rate nucleation coupled to a simultaneous coagulation in 1) the free-molecular regime or 2) the continuum regime are simulated for this purpose.

  10. Smart designing of new hybrid materials based on brushite-alginate and monetite-alginate microspheres: Bio-inspired for sequential nucleation and growth

    Energy Technology Data Exchange (ETDEWEB)

    Amer, Walid [MAScIR Foundation, INANOTECH, Rabat Design, Rue Mohamed El Jazouli, Madinat El Irfane 10100 Rabat (Morocco); Abdelouahdi, Karima [Centre National pour la Recherche Scientifique et Technique (CNRST), Division UATRS, Angle Allal Fassi/FAR, B.P. 8027, Hay Riad, 10000 Rabat (Morocco); Ramananarivo, Hugo Ronald; Fihri, Aziz; El Achaby, Mounir [MAScIR Foundation, INANOTECH, Rabat Design, Rue Mohamed El Jazouli, Madinat El Irfane 10100 Rabat (Morocco); Zahouily, Mohamed [Laboratoire de Matériaux, Catalyse et Valorisation des Ressources Naturelles, URAC 24, Faculté des Sciences et Techniques, Université Hassan II, Mohammedia B.P. 146, 20650 (Morocco); Barakat, Abdellatif [SUPAGRO-INRA-CIRAD-UMR IATE 1208, Ingenierie des Agropolymères et Technologies Emergentes, 2, Place Pierre Viala-Bât 31, 34060 Montpellier cedex 1 (France); Djessas, Kamal [CNRS-PROMES Tecnosud, F-66100 Perpignan (France); Clark, James [Green Chemistry, Centre of Excellence, University of York, York YO10 5DD (United Kingdom); Solhy, Abderrahim, E-mail: [MAScIR Foundation, INANOTECH, Rabat Design, Rue Mohamed El Jazouli, Madinat El Irfane 10100 Rabat (Morocco)


    In this report new hybrid materials based on brushite-alginate and monetite-alginate were prepared by self-assembling alginate chains and phosphate source ions via a gelation process with calcium ions. The alginate served as nanoreactor for nucleation and growth of brushite or/and monetite due to its gelling and swelling properties. The alginate gel framework, the crystalline phase and morphology of formed hybrid biomaterials were shown to be strongly dependent upon the concentration of the phosphate precursors. These materials were characterized by thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive x-ray analysis (EDX). - Graphical abstract: A new class of hybrid materials based on brushite{sub a}lginate and monetite{sub a}lginate were prepared for the first time by adopting a soft and clean route. Thanks to their gelling and swelling properties, alginate porous polysaccharide microspheres behave as nanoreactors for nucleating, growing and hosting of the phosphate cements such as brushite or monetite. - Highlights: • New structured hybrid materials are prepared from biopolymer and phosphates. • Evidence for a new route for the synthesis of hybrid materials alginate-brushite and alginate-monetite via ionotropic gel of alginate. • The concentration of phosphate has a role crucial for selectivity to monetite or brushite.

  11. Predictions of homogeneous nucleation rates for n-alkanes accounting for the diffuse phase interface and capillary waves. (United States)

    Planková, Barbora; Vinš, Václav; Hrubý, Jan


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

  12. Evidence theory and differential evolution based uncertainty ...

    Indian Academy of Sciences (India)

    Evidence theory and differential evolution based uncertainty quantification for buckling load of semi-rigid jointed frames ... State Key Laboratory for Disaster Reduction in Civil Engineering, Tongji University, Shanghai 200092, China; Research Institute of Structural Engineering and Disaster Reduction, College of Civil ...

  13. Jigsaw Cooperative Learning: Acid-Base Theories (United States)

    Tarhan, Leman; Sesen, Burcin Acar


    This study focused on investigating the effectiveness of jigsaw cooperative learning instruction on first-year undergraduates' understanding of acid-base theories. Undergraduates' opinions about jigsaw cooperative learning instruction were also investigated. The participants of this study were 38 first-year undergraduates in chemistry education…

  14. Evolution of a magnetic bubble after quantum nucleation (United States)

    Defranzo, A.; Gunther, L.


    Chudnovsky and Gunther recently presented a theory of quantum nucleation in a ferromagnet [Phys. Rev. B 37, 9455 (1989)]. As a sequel, this paper is concerned with the evolution of the magnetic bubble after its materialization.

  15. Return to nucleate boiling

    International Nuclear Information System (INIS)

    Shumway, R.W.


    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

  16. Theory- and evidence-based Intervention

    DEFF Research Database (Denmark)

    Nissen, Poul


    In this paper, a model for assessment and intervention is presented. This model explains how to perform theory- and evidence-based as well as practice-based assessment and intervention. The assessment model applies a holistic approach to treatment planning which includes recognition of the influe......In this paper, a model for assessment and intervention is presented. This model explains how to perform theory- and evidence-based as well as practice-based assessment and intervention. The assessment model applies a holistic approach to treatment planning which includes recognition...... of the influence of community, school, peers, famely and the functional and structural domains of personality at the behavioural, psenomenological, intra-psychic and biophysical level in a dialectical process. One important aspect of the theoretical basis for presentation of this model is that the child...

  17. Can Hail and Rain Nucleate Cloud Droplets? (United States)

    Weiss, S.; Prabhakaran, P.; Krekhov, A.; Pumir, A.; Bodenschatz, E.


    We present results from a laboratory scale moist convection experiment composed of a mixture of pressurized sulphur hexafluoride (SF6 - liquid and vapor phase) and helium (He - gas phase) to mimic the wet (saturated water vapor) and dry components (nitrogen, oxygen etc.) of the earth's atmosphere. We operate the experiments close to critical conditions to allow for homogeneous nucleation of sulphur hexafluoride droplets. The liquid SF6 pool is heated from below and the warm SF6 vapor from the liquid-vapor interface rise and condense underneath the cold top plate. We observe the nucleation of microdroplets in the wake of cold drops falling through the SF6-He atmosphere. Using classical nucleation theory, we show that the nucleation is caused by isobaric cooling of SF6 vapor in the wake of the cold drop. Furthermore, we argue that in an atmospheric cloud, falling hail and large cold raindrops may induce heterogeneous nucleation of microdroplets in their wake. We also observe that under appropriate conditions these microdroplets form a stable horizontal layer, thus separating regions of super and sub-critical saturation.

  18. Cavitation Bubble Nucleation by Energetic Particles

    Energy Technology Data Exchange (ETDEWEB)

    West, C.D.


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

  19. Performance enhancement of metal nanowire-based transparent electrodes by electrically driven nanoscale nucleation of metal oxides (United States)

    Shiau, Yu-Jeng; Chiang, Kai-Ming; Lin, Hao-Wu


    Solution-processed silver nanowire (AgNW) electrodes have been considered to be promising materials for next-generation flexible transparent conductive electrodes. Despite the fact that a single AgNW has extremely high conductivities, the high junction resistance between nanowires limits the performance of the AgNW matrix. Therefore, post-treatments are usually required to approach better NW-NW contact. Herein, we report a novel linking method that uses joule heating to accumulate sol-gel ZnO near nanowire junctions. The nanoscale ZnO nucleation successfully restrained the thermal instability of the AgNW under current injection and acted as an efficient tightening medium to realize good NW-NW contacts. A low process temperature (PET and PEN, feasible. The optimized AgNW transparent conductive electrodes (TCE) fabricated using this promising linking method exhibited a low sheet resistance (13 Ω sq-1), a high transmission (92% at 550 nm), a high figure of merit (FOM; up to σDC/σOp = 340) and can be applied to wide range of next-generation flexible optoelectronic devices.Solution-processed silver nanowire (AgNW) electrodes have been considered to be promising materials for next-generation flexible transparent conductive electrodes. Despite the fact that a single AgNW has extremely high conductivities, the high junction resistance between nanowires limits the performance of the AgNW matrix. Therefore, post-treatments are usually required to approach better NW-NW contact. Herein, we report a novel linking method that uses joule heating to accumulate sol-gel ZnO near nanowire junctions. The nanoscale ZnO nucleation successfully restrained the thermal instability of the AgNW under current injection and acted as an efficient tightening medium to realize good NW-NW contacts. A low process temperature (PET and PEN, feasible. The optimized AgNW transparent conductive electrodes (TCE) fabricated using this promising linking method exhibited a low sheet resistance (13 Ω sq

  20. Gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)



    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.

  1. Network reliability analysis based on percolation theory

    International Nuclear Information System (INIS)

    Li, Daqing; Zhang, Qiong; Zio, Enrico; Havlin, Shlomo; Kang, Rui


    In this paper, we propose a new way of looking at the reliability of a network using percolation theory. In this new view, a network failure can be regarded as a percolation process and the critical threshold of percolation can be used as network failure criterion linked to the operational settings under control. To demonstrate our approach, we consider both random network models and real networks with different nodes and/or edges lifetime distributions. We study numerically and theoretically the network reliability and find that the network reliability can be solved as a voting system with threshold given by percolation theory. Then we find that the average lifetime of random network increases linearly with the average lifetime of its nodes with uniform life distributions. Furthermore, the average lifetime of the network becomes saturated when system size is increased. Finally, we demonstrate our method on the transmission network system of IEEE 14 bus. - Highlights: • Based on percolation theory, we address questions of practical interest such as “how many failed nodes/edges will break down the whole network?” • The percolation threshold naturally gives a network failure criterion. • The approach based on percolation theory is suited for calculations of large-scale networks

  2. Effect of nano-scaled styrene butadiene rubber based nucleating agent on the thermal, crystallization and physical properties of isotactic polypropylene

    Energy Technology Data Exchange (ETDEWEB)

    Petchwattana, Nawadon [Division of Polymer Materials Technology, Faculty of Agricultural Product Innovation and Technology, Srinakharinwirot University, Sukhumvit 23, Wattana, Bangkok 10110 (Thailand); Covavisaruch, Sirijutaratana, E-mail: [Department of Chemical Engineering, Faculty of Engineering, Chulalongkorn University, Pathumwan, Bangkok 10330 (Thailand); Sripanya, Panjapong [Thai Oleochemicals Company Limited (A Subsidiary of PTT Global Chemical Public Company Limited), Mueang Rayong, Rayong 21150 (Thailand)


    Highlights: • The effect of a SBR based β-NA on the properties iPP was investigated. • The addition of β-NA led to higher population of nuclei and smaller spherulites. • β to α phase transformation was observed when re-extrusion process was applied. • Impact strength was increased when the β-NA was added from 0.10 to 0.20 wt%. -- Abstract: The influence of a specific nano-scaled styrene butadiene rubber based β-nucleating agent (β-NA) on the properties of isotactic polypropylene (iPP) was investigated in the current research. β-NA was applied at the concentration ranged from 0.05 to 0.50 wt%. Microscopic observation revealed that the neat iPP crystals grew very slowly; they ranged in size from 100 to 200 μm. The addition of β-NA led to higher population of nuclei and smaller spherulites than those found in neat iPP. The addition of only 0.05 wt% β-NA significantly decreased the sizes of the spherulites down to 5 μm; the crystal grew very rapidly, leading to extremely fine morphology. Analysis by X-ray diffraction (XRD) confirmed that iPP/β-NA constituted mainly of β-crystal structure. The transformation of β to α phase was observed upon re-extrusion, it was verified by the lowered fraction of the β-crystalline phase (K{sub β}) although the total degree of crystallinity remained unchanged. A significant improvement in the impact strength of the iPP/β-NA was observed when the β-NA was employed from 0.10 to 0.20 wt%, leading to the formation of tough β-crystals in the β-NA nucleated iPP. The color measurement implied that the iPP nucleated with β-NA was superior in terms of whiteness but it was less transparent, as was evident by the increased haze.

  3. Molecular simulation of homogeneous nucleation of crystals of an ionic liquid from the melt

    Energy Technology Data Exchange (ETDEWEB)

    He, Xiaoxia; Shen, Yan [Cain Department of Chemical Engineering, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Hung, Francisco R., E-mail: [Cain Department of Chemical Engineering, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Santiso, Erik E. [Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States)


    The homogeneous nucleation of crystals of the ionic liquid [dmim{sup +}][Cl{sup −}] from its supercooled liquid phase in the bulk (P = 1 bar, T = 340 K, representing a supercooling of 58 K) was studied using molecular simulations. The string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)] was used in combination with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589–2594 (2009)] and order parameters for molecular crystals [E. E. Santiso and B. L. Trout, J. Chem. Phys. 134, 064109 (2011)] to sketch a minimum free energy path connecting the supercooled liquid and the monoclinic crystal phases, and to determine the free energy and the rates involved in the homogeneous nucleation process. The physical significance of the configurations found along this minimum free energy path is discussed with the help of calculations based on classical nucleation theory and with additional simulation results obtained for a larger system. Our results indicate that, at a supercooling of 58 K, the liquid has to overcome a free energy barrier of the order of 60 kcal/mol and to form a critical nucleus with an average size of about 3.6 nm, before it reaches the thermodynamically stable crystal phase. A simulated homogeneous nucleation rate of 5.0 × 10{sup 10} cm{sup −3} s{sup −1} was obtained for our system, which is in reasonable agreement with experimental and simulation rates for homogeneous nucleation of ice at similar degrees of supercooling. This study represents our first step in a series of studies aimed at understanding the nucleation and growth of crystals of organic salts near surfaces and inside nanopores.

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

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


    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.

  5. 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.


    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.

  6. Surface Nanobubbles Nucleate Microdroplets


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


    International audience; When a hydrophobic solid is in contact with water, surface nanobubbles often form at the interface. They have a lifetime many orders of magnitude longer than expected. Here, we show that they even withstand a temperature increase to temperatures close to the boiling point of bulk water; i.e., they do not nucleate larger bubbles (" superstability "). On the contrary, when the vapor-liquid contact line passes a nanobubble, a liquid film remains around it, which, after pi...

  7. Information theory based approaches to cellular signaling. (United States)

    Waltermann, Christian; Klipp, Edda


    Cells interact with their environment and they have to react adequately to internal and external changes such changes in nutrient composition, physical properties like temperature or osmolarity and other stresses. More specifically, they must be able to evaluate whether the external change is significant or just in the range of noise. Based on multiple external parameters they have to compute an optimal response. Cellular signaling pathways are considered as the major means of information perception and transmission in cells. Here, we review different attempts to quantify information processing on the level of individual cells. We refer to Shannon entropy, mutual information, and informal measures of signaling pathway cross-talk and specificity. Information theory in systems biology has been successfully applied to identification of optimal pathway structures, mutual information and entropy as system response in sensitivity analysis, and quantification of input and output information. While the study of information transmission within the framework of information theory in technical systems is an advanced field with high impact in engineering and telecommunication, its application to biological objects and processes is still restricted to specific fields such as neuroscience, structural and molecular biology. However, in systems biology dealing with a holistic understanding of biochemical systems and cellular signaling only recently a number of examples for the application of information theory have emerged. This article is part of a Special Issue entitled Systems Biology of Microorganisms. Copyright © 2011 Elsevier B.V. All rights reserved.

  8. Theory-based interventions for contraception. (United States)

    Lopez, Laureen M; Grey, Thomas W; Chen, Mario; Tolley, Elizabeth E; Stockton, Laurie L


    The explicit use of theory in research helps expand the knowledge base. Theories and models have been used extensively in HIV-prevention research and in interventions for preventing sexually transmitted infections (STIs). The health behavior field uses many theories or models of change. However, many educational interventions addressing contraception have no explicit theoretical base. To review randomized controlled trials (RCTs) that tested a theoretical approach to inform contraceptive choice and encourage or improve contraceptive use. To 1 November 2016, we searched for trials that tested a theory-based intervention for improving contraceptive use in PubMed, CENTRAL, POPLINE, Web of Science,, and ICTRP. For the initial review, we wrote to investigators to find other trials. Included trials tested a theory-based intervention for improving contraceptive use. Interventions addressed the use of one or more methods for contraception. The reports provided evidence that the intervention was based on a specific theory or model. The primary outcomes were pregnancy and contraceptive choice or use. We assessed titles and abstracts identified during the searches. One author extracted and entered the data into Review Manager; a second author verified accuracy. We examined studies for methodological quality.For unadjusted dichotomous outcomes, we calculated the Mantel-Haenszel odds ratio (OR) with 95% confidence interval (CI). Cluster randomized trials used various methods of accounting for the clustering, such as multilevel modeling. Most reports did not provide information to calculate the effective sample size. Therefore, we presented the results as reported by the investigators. We did not conduct meta-analysis due to varied interventions and outcome measures. We included 10 new trials for a total of 25. Five were conducted outside the USA. Fifteen randomly assigned individuals and 10 randomized clusters. This section focuses on nine trials with high or

  9. A complexity theory based on Boolean algebra

    DEFF Research Database (Denmark)

    Skyum, Sven; Valiant, Leslie


    A projection of a Boolean function is a function obtained by substituting for each of its variables a variable, the negation of a variable, or a constant. Reducibilities among computational problems under this relation of projection are considered. It is shown that much of what is of everyday rel...... relevance in Turing-machine-based complexity theory can be replicated easily and naturally in this elementary framework. Finer distinctions about the computational relationships among natural problems can be made than in previous formulations and some negative results are proved....

  10. Introduction to the theory of bases

    CERN Document Server

    Marti, Jürg T


    Since the publication of Banach's treatise on the theory of linear operators, the literature on the theory of bases in topological vector spaces has grown enormously. Much of this literature has for its origin a question raised in Banach's book, the question whether every sepa­ rable Banach space possesses a basis or not. The notion of a basis employed here is a generalization of that of a Hamel basis for a finite dimensional vector space. For a vector space X of infinite dimension, the concept of a basis is closely related to the convergence of the series which uniquely correspond to each point of X. Thus there are different types of bases for X, according to the topology imposed on X and the chosen type of convergence for the series. Although almost four decades have elapsed since Banach's query, the conjectured existence of a basis for every separable Banach space is not yet proved. On the other hand, no counter examples have been found to show the existence of a special Banach space having no basis. Howe...

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

    Directory of Open Access Journals (Sweden)

    E. J. Jensen


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

  12. Surface Nanobubbles Nucleate Microdroplets (United States)

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


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

  13. System Dynamics as Model-Based Theory Building


    Schwaninger, Markus; Grösser, Stefan N.


    This paper introduces model-based theory building as a feature of system dynamics (SD) with large potential. It presents a systemic approach to actualizing that potential, thereby opening up a new perspective on theory building in the social sciences. The question addressed is if and how SD enables the construction of high-quality theories. This contribution is based on field experiment type projects which have been focused on model-based theory building, specifically the construction of a mi...

  14. Nucleate boiling heat transfer

    Energy Technology Data Exchange (ETDEWEB)

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


    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. Learner Autonomy Based On Constructivism Learning Theory


    Haiyan Wang


    Constuctivism learning theory lays emphasis on the learners' active learning, such as learning initiative, sociality and context. By analyzing the relationship between constructivism learning theory and learner autonomy, this paper explores how to cultivate learners' learner autonomy under the guidance of constructivism learning theory.

  16. Physically based rendering from theory to implementation

    CERN Document Server

    Pharr, Matt


    "Physically Based Rendering, 2nd Edition" describes both the mathematical theory behind a modern photorealistic rendering system as well as its practical implementation. A method - known as 'literate programming'- combines human-readable documentation and source code into a single reference that is specifically designed to aid comprehension. The result is a stunning achievement in graphics education. Through the ideas and software in this book, you will learn to design and employ a full-featured rendering system for creating stunning imagery. This book features new sections on subsurface scattering, Metropolis light transport, precomputed light transport, multispectral rendering, and much more. It includes a companion site complete with source code for the rendering system described in the book, with support for Windows, OS X, and Linux. Code and text are tightly woven together through a unique indexing feature that lists each function, variable, and method on the page that they are first described.

  17. Generalized theory of diffusion based on kinetic theory (United States)

    Schäfer, T.


    We propose to use spin hydrodynamics, a two-fluid model of spin propagation, as a generalization of the diffusion equation. We show that in the dense limit spin hydrodynamics reduces to Fick's law and the diffusion equation. In the opposite limit spin hydrodynamics is equivalent to a collisionless Boltzmann treatment of spin propagation. Spin hydrodynamics avoids unphysical effects that arise when the diffusion equation is used to describe to a strongly interacting gas with a dilute corona. We apply spin hydrodynamics to the problem of spin diffusion in a trapped atomic gas. We find that the observed spin relaxation rate in the high-temperature limit [Sommer et al., Nature (London) 472, 201 (2011), 10.1038/nature09989] is consistent with the diffusion constant predicted by kinetic theory.

  18. Dislocation nucleation facilitated by atomic segregation (United States)

    Zou, Lianfeng; Yang, Chaoming; Lei, Yinkai; Zakharov, Dmitri; Wiezorek, Jörg M. K.; Su, Dong; Yin, Qiyue; Li, Jonathan; Liu, Zhenyu; Stach, Eric A.; Yang, Judith C.; Qi, Liang; Wang, Guofeng; Zhou, Guangwen


    Surface segregation--the enrichment of one element at the surface, relative to the bulk--is ubiquitous to multi-component materials. Using the example of a Cu-Au solid solution, we demonstrate that compositional variations induced by surface segregation are accompanied by misfit strain and the formation of dislocations in the subsurface region via a surface diffusion and trapping process. The resulting chemically ordered surface regions acts as an effective barrier that inhibits subsequent dislocation annihilation at free surfaces. Using dynamic, atomic-scale resolution electron microscopy observations and theory modelling, we show that the dislocations are highly active, and we delineate the specific atomic-scale mechanisms associated with their nucleation, glide, climb, and annihilation at elevated temperatures. These observations provide mechanistic detail of how dislocations nucleate and migrate at heterointerfaces in dissimilar-material systems.

  19. Enhancement of critical heat flux in nucleate boiling of nanofluids: a state-of-art review (United States)


    Nanofluids (suspensions of nanometer-sized particles in base fluids) have recently been shown to have nucleate boiling critical heat flux (CHF) far superior to that of the pure base fluid. Over the past decade, numerous experimental and analytical studies on the nucleate boiling CHF of nanofluids have been conducted. The purpose of this article is to provide an exhaustive review of these studies. The characteristics of CHF enhancement in nanofluids are systemically presented according to the effects of the primary boiling parameters. Research efforts to identify the effects of nanoparticles underlying irregular enhancement phenomena of CHF in nanofluids are then presented. Also, attempts to explain the physical mechanism based on available CHF theories are described. Finally, future research needs are identified. PMID:21711949

  20. Ice nucleation on mineral dust particles: Onset conditions, nucleation rates and contact angles (United States)

    Eastwood, Michael L.; Cremel, Sebastien; Gehrke, Clemens; Girard, Eric; Bertram, Allan K.


    An optical microscope coupled to a flow cell was used to investigate the onset conditions for ice nucleation on five atmospherically relevant minerals at temperatures ranging from 233 to 246 K. Here we define the onset conditions as the humidity and temperature at which the first ice nucleation event was observed. Kaolinite and muscovite were found to be efficient ice nuclei in the deposition mode, requiring relative humidities with respect to ice (RHi) below 112% in order to initiate ice crystal formation. Quartz and calcite, by contrast, were poor ice nuclei, requiring relative humidities close to water saturation before ice crystals would form. Montmorillonite particles were efficient ice nuclei at temperatures below 241 K but were poor ice nuclei at higher temperatures. In several cases, there was a lack of quantitative agreement between our data and previously published work. This can be explained by several factors including the mineral source, the particle sizes, the surface area available for nucleation, and observation time. Heterogeneous nucleation rates (Jhet) were calculated from the measurements of the onset conditions (temperature and RHi) required from ice nucleation. The Jhet values were then used to calculate contact angles (θ) between the mineral substrates and an ice embryo using classical nucleation theory. The contact angles measured for kaolinite and muscovite ranged from 6° to 12°, whereas for quartz and calcite, the contact angles ranged from 25° to 27°. The reported Jhet and θ values may allow for a more direct comparison between laboratory studies and can be used when modeling ice cloud formation in the atmosphere.

  1. Understanding the mechanisms of secondary nucleation for protein aggregation: an analytical approach (United States)

    Michaels, Thomas; Knowles, Tuomas P. J.


    Filamentous protein self-assembly is a general type of behaviour accessible to a wide range of different polypeptide sequences. This phenomenon underlies key molecular events both in normal and aberrant biology, but a general theory of the crucial nucleation steps that govern this process has remained elusive. In this talk we discuss our attempts to provide a general description of secondary nucleation in filamentous protein assembly based on the Becker-Döring kinetic scheme to describe cluster-catalytic effects. This systematic procedure allows extracting low-dimensional systems of equations out of the full kinetic model, in a master equation formalism typically consisting of infinitely many coupled non-linear equations. Using this procedure, we propose and discuss various mechanisms that can underlie the secondary nucleation process. Using data curve-fitting and analysis we show that the addition of a monomer to heterogeneous nuclei is effectively irreversible and discuss the implications of our framework for the more general understanding of the physics of multi-step nucleation phenomena in nature.

  2. The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit. (United States)

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


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

  3. Quantifying the Effect of Stress on Sn Whisker Nucleation Kinetics (United States)

    Chason, Eric; Vasquez, Justin; Pei, Fei; Jain, Nupur; Hitt, Andrew


    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.

  4. Analysis of isothermal and cooling-rate-dependent immersion freezing by a unifying stochastic ice nucleation model

    Directory of Open Access Journals (Sweden)

    P. A. Alpert


    Full Text Available Immersion freezing is an important ice nucleation pathway involved in the formation of cirrus and mixed-phase clouds. Laboratory immersion freezing experiments are necessary to determine the range in temperature, T, and relative humidity, RH, at which ice nucleation occurs and to quantify the associated nucleation kinetics. Typically, isothermal (applying a constant temperature and cooling-rate-dependent immersion freezing experiments are conducted. In these experiments it is usually assumed that the droplets containing ice nucleating particles (INPs all have the same INP surface area (ISA; however, the validity of this assumption or the impact it may have on analysis and interpretation of the experimental data is rarely questioned. Descriptions of ice active sites and variability of contact angles have been successfully formulated to describe ice nucleation experimental data in previous research; however, we consider the ability of a stochastic freezing model founded on classical nucleation theory to reproduce previous results and to explain experimental uncertainties and data scatter. A stochastic immersion freezing model based on first principles of statistics is presented, which accounts for variable ISA per droplet and uses parameters including the total number of droplets, Ntot, and the heterogeneous ice nucleation rate coefficient, Jhet(T. This model is applied to address if (i a time and ISA-dependent stochastic immersion freezing process can explain laboratory immersion freezing data for different experimental methods and (ii the assumption that all droplets contain identical ISA is a valid conjecture with subsequent consequences for analysis and interpretation of immersion freezing. The simple stochastic model can reproduce the observed time and surface area dependence in immersion freezing experiments for a variety of methods such as: droplets on a cold-stage exposed to air or surrounded by an oil matrix, wind and

  5. Damage instability and Earthquake nucleation (United States)

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


    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.

  6. Nanoscale-Agglomerate-Mediated Heterogeneous Nucleation. (United States)

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


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


    Directory of Open Access Journals (Sweden)

    S. SOBRI


    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.

  8. Effects of GaN/AlGaN/Sputtered AlN nucleation layers on performance of GaN-based ultraviolet light-emitting diodes (United States)

    Hu, Hongpo; Zhou, Shengjun; Liu, Xingtong; Gao, Yilin; Gui, Chengqun; Liu, Sheng


    We report on the demonstration of GaN-based ultraviolet light-emitting diodes (UV LEDs) emitting at 375 nm grown on patterned sapphire substrate (PSS) with in-situ low temperature GaN/AlGaN nucleation layers (NLs) and ex-situ sputtered AlN NL. The threading dislocation (TD) densities in GaN-based UV LEDs with GaN/AlGaN/sputtered AlN NLs were determined by high-resolution X-ray diffraction (XRD) and cross-sectional transmission electron microscopy (TEM), which revealed that the TD density in UV LED with AlGaN NL was the highest, whereas that in UV LED with sputtered AlN NL was the lowest. The light output power (LOP) of UV LED with AlGaN NL was 18.2% higher than that of UV LED with GaN NL owing to a decrease in the absorption of 375 nm UV light in the AlGaN NL with a larger bandgap. Using a sputtered AlN NL instead of the AlGaN NL, the LOP of UV LED was further enhanced by 11.3%, which is attributed to reduced TD density in InGaN/AlInGaN active region. In the sputtered AlN thickness range of 10-25 nm, the LOP of UV LED with 15-nm-thick sputtered AlN NL was the highest, revealing that optimum thickness of the sputtered AlN NL is around 15 nm.

  9. Review: The nucleation of disorder

    International Nuclear Information System (INIS)

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


    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

  10. Metadynamics studies of crystal nucleation (United States)

    Giberti, Federico; Salvalaglio, Matteo; Parrinello, Michele


    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

  11. Metadynamics studies of crystal nucleation

    Directory of Open Access Journals (Sweden)

    Federico Giberti


    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.

  12. Thermodynamics and kinetics of binary nucleation in ideal-gas mixtures. (United States)

    Alekseechkin, Nikolay V


    The nonisothermal single-component theory of droplet nucleation [N. V. Alekseechkin, Physica A 412, 186 (2014)] is extended to binary case; the droplet volume V, composition x, and temperature T are the variables of the theory. An approach based on macroscopic kinetics (in contrast to the standard microscopic model of nucleation operating with the probabilities of monomer attachment and detachment) is developed for the droplet evolution and results in the derived droplet motion equations in the space (V, x, T)—equations for V̇≡dV/dt, ẋ, and Ṫ. The work W(V, x, T) of the droplet formation is obtained in the vicinity of the saddle point as a quadratic form with diagonal matrix. Also, the problem of generalizing the single-component Kelvin equation for the equilibrium vapor pressure to binary case is solved; it is presented here as a problem of integrability of a Pfaffian equation. The equation for Ṫ is shown to be the first law of thermodynamics for the droplet, which is a consequence of Onsager's reciprocal relations and the linked-fluxes concept. As an example of ideal solution for demonstrative numerical calculations, the o-xylene-m-xylene system is employed. Both nonisothermal and enrichment effects are shown to exist; the mean steady-state overheat of droplets and their mean steady-state enrichment are calculated with the help of the 3D distribution function. Some qualitative peculiarities of the nucleation thermodynamics and kinetics in the water-sulfuric acid system are considered in the model of regular solution. It is shown that there is a small kinetic parameter in the theory due to the small amount of the acid in the vapor and, as a consequence, the nucleation process is isothermal.

  13. Thermodynamics and kinetics of binary nucleation in ideal-gas mixtures (United States)

    Alekseechkin, Nikolay V.


    The nonisothermal single-component theory of droplet nucleation [N. V. Alekseechkin, Physica A 412, 186 (2014)] is extended to binary case; the droplet volume V, composition x, and temperature T are the variables of the theory. An approach based on macroscopic kinetics (in contrast to the standard microscopic model of nucleation operating with the probabilities of monomer attachment and detachment) is developed for the droplet evolution and results in the derived droplet motion equations in the space (V, x, T)—equations for V ˙ ≡ d V / d t , x ˙ , and T ˙ . The work W(V, x, T) of the droplet formation is obtained in the vicinity of the saddle point as a quadratic form with diagonal matrix. Also, the problem of generalizing the single-component Kelvin equation for the equilibrium vapor pressure to binary case is solved; it is presented here as a problem of integrability of a Pfaffian equation. The equation for T ˙ is shown to be the first law of thermodynamics for the droplet, which is a consequence of Onsager's reciprocal relations and the linked-fluxes concept. As an example of ideal solution for demonstrative numerical calculations, the o-xylene-m-xylene system is employed. Both nonisothermal and enrichment effects are shown to exist; the mean steady-state overheat of droplets and their mean steady-state enrichment are calculated with the help of the 3D distribution function. Some qualitative peculiarities of the nucleation thermodynamics and kinetics in the water-sulfuric acid system are considered in the model of regular solution. It is shown that there is a small kinetic parameter in the theory due to the small amount of the acid in the vapor and, as a consequence, the nucleation process is isothermal.

  14. Binary Homogeneous Nucleation in Selected Aqueous

    Czech Academy of Sciences Publication Activity Database

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


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

  15. Paper-based assay of antioxidant activity using analyte-mediated on-paper nucleation of gold nanoparticles as colorimetric probes. (United States)

    Choleva, Tatiana G; Kappi, Foteini A; Giokas, Dimosthenis L; Vlessidis, Athanasios G


    With the increasing interest in the health benefits arising from the consumption of dietary products rich in antioxidants, there exists a clear demand for easy-to-use and cost-effective tests that can be used for the identification of the antioxidant power of food products. Paper-based analytical devices constitute a remarkable platform for such expedient and low-cost assays with minimal external resources but efforts in this direction are still scarce. In this work we introduce a new paper-based device in the form of a sensor patch that enables the determination of antioxidant activity through analyte-driven on-paper formation of gold nanoparticles. The principle of detection capitalizes, for the first time, on the on-paper nucleation of gold ions to its respective nanoparticles, upon reduction by antioxidant compounds present in an aqueous sample. The ensuing chromatic transitions, induced on the paper surface, are used as an optical "signature" of the antioxidant strength of the solution. The response of the paper-based sensor was evaluated against a large variety of antioxidant species and the respective dose response curves were constructed. On the basis of these data, the contribution of each species according to its chemical structure was elucidated. For the analysis of real samples, a concentration-dependent colorimetric response was established against Gallic acid equivalents over a linear range of 10 μM-1.0 mM, with detection limits at the low and ultra-low μM levels (i.e. <1.0 μM) and satisfactory precision (RSD=3.6-12.6%). The sensor has been tested for the assessment of antioxidant activity in real samples (teas and wines) and the results correlated well with commonly used antioxidant detection methods. Importantly, the sensor performed favorably for long periods of time when stored at moisture-free and low temperature conditions without losing its activity thus posing as an attractive alternative to the assessment of antioxidant activity without

  16. Bubble nucleation in stout beers (United States)

    Lee, W. T.; McKechnie, J. S.; Devereux, M. G.


    Bubble nucleation in weakly supersaturated solutions of carbon dioxide—such as champagne, sparkling wines, and carbonated beers—is well understood. Bubbles grow and detach from nucleation sites: gas pockets trapped within hollow cellulose fibers. This mechanism appears not to be active in stout beers that are supersaturated solutions of nitrogen and carbon dioxide. In their canned forms these beers require additional technology (widgets) to release the bubbles which will form the head of the beer. We extend the mathematical model of bubble nucleation in carbonated liquids to the case of two gases and show that this nucleation mechanism is active in stout beers, though substantially slower than in carbonated beers and confirm this by observation. A rough calculation suggests that despite the slowness of the process, applying a coating of hollow porous fibers to the inside of a can or bottle could be a potential replacement for widgets.

  17. Continuing Bonds in Bereavement: An Attachment Theory Based Perspective (United States)

    Field, Nigel P.; Gao, Beryl; Paderna, Lisa


    An attachment theory based perspective on the continuing bond to the deceased (CB) is proposed. The value of attachment theory in specifying the normative course of CB expression and in identifying adaptive versus maladaptive variants of CB expression based on their deviation from this normative course is outlined. The role of individual…

  18. Observational attachment theory-based parenting measures predict children's attachment narratives independently from social learning theory-based measures. (United States)

    Matias, Carla; O'Connor, Thomas G; Futh, Annabel; Scott, Stephen


    Conceptually and methodologically distinct models exist for assessing quality of parent-child relationships, but few studies contrast competing models or assess their overlap in predicting developmental outcomes. Using observational methodology, the current study examined the distinctiveness of attachment theory-based and social learning theory-based measures of parenting in predicting two key measures of child adjustment: security of attachment narratives and social acceptance in peer nominations. A total of 113 5-6-year-old children from ethnically diverse families participated. Parent-child relationships were rated using standard paradigms. Measures derived from attachment theory included sensitive responding and mutuality; measures derived from social learning theory included positive attending, directives, and criticism. Child outcomes were independently-rated attachment narrative representations and peer nominations. Results indicated that Attachment theory-based and Social Learning theory-based measures were modestly correlated; nonetheless, parent-child mutuality predicted secure child attachment narratives independently of social learning theory-based measures; in contrast, criticism predicted peer-nominated fighting independently of attachment theory-based measures. In young children, there is some evidence that attachment theory-based measures may be particularly predictive of attachment narratives; however, no single model of measuring parent-child relationships is likely to best predict multiple developmental outcomes. Assessment in research and applied settings may benefit from integration of different theoretical and methodological paradigms.

  19. The Prediction of Item Parameters Based on Classical Test Theory and Latent Trait Theory (United States)

    Anil, Duygu


    In this study, the prediction power of the item characteristics based on the experts' predictions on conditions try-out practices cannot be applied was examined for item characteristics computed depending on classical test theory and two-parameters logistic model of latent trait theory. The study was carried out on 9914 randomly selected students…

  20. 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.

  1. Nucleation rate of the quark-gluon plasma droplet at finite quark ...

    Indian Academy of Sciences (India)

    evolution of the system [4]. Another important issue is that while calculating the nucle- ation rate of the QGP droplet, it is necessary to consider the finite size of hadrons [5]. These corrections are properly taken care of in the workout of this paper. Now, in the framework of the homogeneous nucleation theory, the nucleation ...

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

    DEFF Research Database (Denmark)

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


    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...

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

    Czech Academy of Sciences Publication Activity Database

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


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

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

    International Nuclear Information System (INIS)

    Katz, J.L.


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

  5. Thermodynamic Derivation of the Activation Energy for Ice Nucleation (United States)

    Barahona, D.


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

  6. 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.


    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

  7. FOREWORD: Heterogenous nucleation and microstructure formation—a scale- and system-bridging approach Heterogenous nucleation and microstructure formation—a scale- and system-bridging approach (United States)

    Emmerich, H.


    systems are investigated jointly by experimental scientists working with different experimental techniques together with theoreticians, whose expertise is likewise diverse, ranging from density functional theory (DFT), over molecular simulations (MC/MD) to the phase-field method and who at the same time aim at a rigorous connection of these methods. This sketch illustrates the different 'dimensions' of the interdisciplinary research setting of the Priority Program and thus underlying the articles in this issue. Still the comparison of these new approaches with experimental results leads to controversial conclusions [12, 16]. Hence the study and development of theoretical models for the understanding and in particular for the quantitative description of the heterogeneous nucleus- and microstructure-formation processes remains an open but successively more and more quantitatively approachable issue. The development of physically relevant models for nucleus- and initial microstructure-formation is based on reliable knowledge of key parameters as the interfacial energy between crystal nucleus and melt. The latter is still experimentally difficult to access in metallic systems due to limitations arising e.g. from non-transmittance of optical light. To accelerate the development of more quantitative models capable of addressing the open issues of heterogenous nucleation and microstructure formation further, it is therefore essential to find complementary experimental systems which are less limited in accessing the above key parameters than metals. For this reason, within the Priority Program 1296 'Heterogenous Nucleation and Microstructure Formation—a Scale- and System-Bridging Approach' [8], the emphasis is to investigate the energetics and kinetics of heterogeneous nucleation and microstructure-formation processes experimentally jointly with metals as well as colloids as mesoscopic model systems for these processes. Thereby the most comprehensive experimental picture shall

  8. Characterization of antimonide based material grown by molecular epitaxy on vicinal silicon substrates via a low temperature AlSb nucleation layer (United States)

    Rodriguez, J. B.; Cerutti, L.; Patriarche, G.; Largeau, L.; Madiomanana, K.; Tournié, E.


    We report on the characterization of GaSb layers grown on silicon substrates using an AlSb nucleation layer. In particular, we investigate the influence of the AlSb layer thickness when this nucleation layer is grown at low temperature (400 °C). X-ray diffraction techniques, atomic force microscopy and transmission electron microscopy were used to characterize the material properties. We demonstrate that there exists a correlation between the micro-twin density, the surface roughness and the broadening of the ω-scan GaSb peaks. Moreover, the AlSb thickness has a strong influence on the micro-twin density, and must be carefully optimized to improve the GaSb quality.

  9. SMD-based numerical stochastic perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Dalla Brida, Mattia [Universita di Milano-Bicocca, Dipartimento di Fisica, Milan (Italy); INFN, Sezione di Milano-Bicocca (Italy); Luescher, Martin [CERN, Theoretical Physics Department, Geneva (Switzerland); AEC, Institute for Theoretical Physics, University of Bern (Switzerland)


    The viability of a variant of numerical stochastic perturbation theory, where the Langevin equation is replaced by the SMD algorithm, is examined. In particular, the convergence of the process to a unique stationary state is rigorously established and the use of higher-order symplectic integration schemes is shown to be highly profitable in this context. For illustration, the gradient-flow coupling in finite volume with Schroedinger functional boundary conditions is computed to two-loop (i.e. NNL) order in the SU(3) gauge theory. The scaling behaviour of the algorithm turns out to be rather favourable in this case, which allows the computations to be driven close to the continuum limit. (orig.)

  10. How Ambient Pressure Influences Water Droplet Nucleation at Tropospheric Conditions

    Czech Academy of Sciences Publication Activity Database

    Hyvärinen, A.-P.; Brus, David; Wedekind, J.; Lihavainen, H.


    Roč. 37, - (2010), L21802 ISSN 0094-8276 Institutional research plan: CEZ:AV0Z40720504 Keywords : nucleations theories * ambient pressure * condensation of droplets Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.505, year: 2010

  11. Theory of friction based on brittle fracture (United States)

    Byerlee, J.D.


    A theory of friction is presented that may be more applicable to geologic materials than the classic Bowden and Tabor theory. In the model, surfaces touch at the peaks of asperities and sliding occurs when the asperities fail by brittle fracture. The coefficient of friction, ??, was calculated from the strength of asperities of certain ideal shapes; for cone-shaped asperities, ?? is about 0.1 and for wedge-shaped asperities, ?? is about 0.15. For actual situations which seem close to the ideal model, observed ?? was found to be very close to 0.1, even for materials such as quartz and calcite with widely differing strengths. If surface forces are present, the theory predicts that ?? should decrease with load and that it should be higher in a vacuum than in air. In the presence of a fluid film between sliding surfaces, ?? should depend on the area of the surfaces in contact. Both effects are observed. The character of wear particles produced during sliding and the way in which ?? depends on normal load, roughness, and environment lend further support to the model of friction presented here. ?? 1967 The American Institute of Physics.

  12. Support vector machines optimization based theory, algorithms, and extensions

    CERN Document Server

    Deng, Naiyang; Zhang, Chunhua


    Support Vector Machines: Optimization Based Theory, Algorithms, and Extensions presents an accessible treatment of the two main components of support vector machines (SVMs)-classification problems and regression problems. The book emphasizes the close connection between optimization theory and SVMs since optimization is one of the pillars on which SVMs are built.The authors share insight on many of their research achievements. They give a precise interpretation of statistical leaning theory for C-support vector classification. They also discuss regularized twi


    Directory of Open Access Journals (Sweden)

    Hidayatus Sholihah


    Full Text Available There are two main motivation theories. a hierarchy of basic needs theory,  and an expectancy theory. In a Hyrarchy of basic needs theory, Maslow has stated that the basic needs as a main behaviour direction are structured into a hierarchy. There are five basic human needs.  The first: Physiological needs such as: salary, bonus or working condition. The second: the safety needs, such as: safe job environment, job security or health cover. The third, social needs, such as  union and team work. The next is self esteem, such as getting an award, medal, certificate or any other recognisition. Then the last is self actualization, for example is by providing an opportunity to share knowledge, skills and eprerience. The evaluation of this theory are: there is no spiritual needs as human basic needs is a main weakness of this theory. Then it is possible that different level of  needs  have to be satisfied in the same time, or not in hierarchy level or, not always have to be fulfilled in order. The next motivation theory is an Expectancy Theory. This theory is based on three main factors. The first factor is: English teachers will be motivated to work harder if they have a good perception to their own competences in accordance with their job. The second, individual motivation depends on the rewards given when they finish a  particular job. Finally, it also depends on their regards to the rewards given from the job that they do. Expectancy theory is a good theory, however, it is not easy to be implemented because the principals should provide various types of reward to satisfy the expectation of their English teachers. Considering the strengths and weaknesses of these two theories, it is better to combine both of them in the practice to get more effective results.

  14. Task-Based Language Teaching and Expansive Learning Theory (United States)

    Robertson, Margaret


    Task-Based Language Teaching (TBLT) has become increasingly recognized as an effective pedagogy, but its location in generalized sociocultural theories of learning has led to misunderstandings and criticism. The purpose of this article is to explain the congruence between TBLT and Expansive Learning Theory and the benefits of doing so. The merit…

  15. How Can Theory-Based Evaluation Make Greater Headway? (United States)

    Weiss, Carol H.


    Explores the problems of theory-based evaluation, describes the nature of potential benefits, and suggests that the benefits are significant enough to warrant continued effort to overcome the obstacles and advance its use. Many of the problems are related to inadequate theories about pathways to desired program outcomes. (SLD)

  16. Differences in ice nucleation behavior of arable and desert soil dust in deposition nucleation regime (United States)

    Ullrich, Romy; Vogel, Franziska; Möhler, Ottmar; Höhler, Kristina; Schiebel, Thea


    Soil dust from arid and semi-arid regions is one of the most abundant aerosol types in the atmosphere with emission rates of about 1600 Tg per year (Andreae et al. (2009)). Therewith, soil dust plays an important role for the atmospheric radiative transfer and also for the formation of clouds. Soil dust refers to dust sampled from agricultural used areas, to dust from bare soil as well as to dust from desert regions. By mass-spectrometric measurements of the chemical composition of ice residuals, mineral dust as component of soil dust was found to be the major heterogeneous ice nucleating particle (INP) type (e.g. Cziczo et al. (2013)), in particular in the upper troposphere. Also in laboratory studies the ice nucleation efficiency of the different soil dusts was investigated. It was shown that desert dusts (Ullrich et al. (2017)) as well as soil dusts from arable regions (O'Sullivan et al. (2014), Tobo et al. (2014)) are efficient INP. However, there is still a lack of data for ice nucleation on soil dusts for temperatures below about 220 K. With the AIDA (Aerosol Interactions and Dynamics in the Atmosphere) cloud chamber, we are able to characterize the ice nucleation efficiency for different aerosol types to temperatures down to 180 K and high ice supersaturations. In order to extend the already existing AIDA data base for deposition nucleation on desert dusts and agricultural soil dusts, new experiments were done in the upper tropospheric temperature regime. This contribution will show the results of the new experiments with desert dust in comparison to existing data for higher temperatures. The first data analysis confirms the temperature dependent trend of the ice nucleation activity as discussed and parameterized in a recent paper by Ullrich et al. (2017). Furthermore, the update and extension of the recently published parameterization of deposition nucleation for desert dust to lower temperatures will be discussed. The experiments with agricultural soil

  17. Learning Theory Foundations of Simulation-Based Mastery Learning. (United States)

    McGaghie, William C; Harris, Ilene B


    Simulation-based mastery learning (SBML), like all education interventions, has learning theory foundations. Recognition and comprehension of SBML learning theory foundations are essential for thoughtful education program development, research, and scholarship. We begin with a description of SBML followed by a section on the importance of learning theory foundations to shape and direct SBML education and research. We then discuss three principal learning theory conceptual frameworks that are associated with SBML-behavioral, constructivist, social cognitive-and their contributions to SBML thought and practice. We then discuss how the three learning theory frameworks converge in the course of planning, conducting, and evaluating SBML education programs in the health professions. Convergence of these learning theory frameworks is illustrated by a description of an SBML education and research program in advanced cardiac life support. We conclude with a brief coda.

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


    Iwamatsu, Masao


    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...

  19. Theory construction based on standards of care: a proposed theory of the peaceful end of life. (United States)

    Ruland, C M; Moore, S M


    The contribution of developing a theory from this standard of care is that it can express a new unifying idea about the phenomenon of peaceful end of life for terminally ill patients. It allows for generating and testing hypotheses that can provide new insights into the nature of this phenomenon and can contribute to increased knowledge about nursing interventions that help patients toward a peaceful end of life. The process of theory development from standards of care as described in this article also can be applied to other phenomena. Clinical practice abounds with opportunities for theory development, yet nurses often do not use theories to guide their practice. Until now, little guidance has been provided to tap the richness of clinical knowledge for the development of middle-range theories. Whereas the method described in this article may still be further refined, it offers a promising approach for the development of theories that are applicable to practice and move beyond the scope of grand theories. Thus deriving theories from standards of care can offer an important contribution to the development of the discipline's scientific knowledge base and enhanced practice.

  20. Void nucleation at elevated temperatures under cascade-damage irradiation

    International Nuclear Information System (INIS)

    Semenov, A.A.; Woo, C.H.


    The effects on void nucleation of fluctuations respectively due to the randomness of point-defect migratory jumps, the random generation of free point defects in discrete packages, and the fluctuating rate of vacancy emission from voids are considered. It was found that effects of the cascade-induced fluctuations are significant only at sufficiently high total sink strength. At lower sink strengths and elevated temperatures, the fluctuation in the rate of vacancy emission is the dominant factor. Application of the present theory to the void nucleation in annealed pure copper neutron-irradiated at elevated temperatures with doses of 10 -4 -10 -2 NRT dpa showed reasonable agreement between theory and experiment. This application also predicts correctly the temporal development of large-scale spatial heterogeneous microstructure during the void nucleation stage. Comparison between calculated and experimental void nucleation rates in neutron-irradiated molybdenum at temperatures where vacancy emission from voids is negligible showed reasonable agreement as well. It was clearly demonstrated that the athermal shrinkage of relatively large voids experimentally observable in molybdenum at such temperatures may be easily explained in the framework of the present theory

  1. Nucleation and cavitation in parahydrogen

    International Nuclear Information System (INIS)

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


    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.

  2. Nucleation in Sheared Granular Matter (United States)

    Rietz, Frank; Radin, Charles; Swinney, Harry L.; Schröter, Matthias


    We present an experiment on crystallization of packings of macroscopic granular spheres. This system is often considered to be a model for thermally driven atomic or colloidal systems. Cyclically shearing a packing of frictional spheres, we observe a first order phase transition from a disordered to an ordered state. The ordered state consists of crystallites of mixed fcc and hcp symmetry that coexist with the amorphous bulk. The transition, initiated by homogeneous nucleation, overcomes a barrier at 64.5% volume fraction. Nucleation consists predominantly of the dissolving of small nuclei and the growth of nuclei that have reached a critical size of about ten spheres.

  3. Nucleation in Sheared Granular Matter. (United States)

    Rietz, Frank; Radin, Charles; Swinney, Harry L; Schröter, Matthias


    We present an experiment on crystallization of packings of macroscopic granular spheres. This system is often considered to be a model for thermally driven atomic or colloidal systems. Cyclically shearing a packing of frictional spheres, we observe a first order phase transition from a disordered to an ordered state. The ordered state consists of crystallites of mixed fcc and hcp symmetry that coexist with the amorphous bulk. The transition, initiated by homogeneous nucleation, overcomes a barrier at 64.5% volume fraction. Nucleation consists predominantly of the dissolving of small nuclei and the growth of nuclei that have reached a critical size of about ten spheres.

  4. A modified principal component analysis-based utility theory ...

    African Journals Online (AJOL)


    modified PCA-based utility theory (UT) approach for optimization of correlated responses. ... Keywords: EDM; Correlated responses; Optimization; Principal component analysis; Proportion of quality loss reduction; ...... On stochastic optimization: Taguchi MethodsTM demystified; its limitations and fallacy clarified.

  5. Nucleation of Recrystallization studied by EBSP and 3DXRD

    DEFF Research Database (Denmark)

    West, Stine


    When a deformed crystalline material is annealed, recrystallization will typically take place. In this process new perfect crystals nucleate and grow, consuming the deformation structure. Traditionally, nucleation theories state that the crystal orientations of these new grains were already present...... in order to ease determination of the nucleation sites and the analysis of orientation relationships between nuclei and parent grains. A series of experiments was carried out using Electron Backscattered diffraction Patterns (EBSP). These were considered to provide a valuable background to support...... in the bulk of a sample after annealing. An orientation imaging map was reconstructed from the bulk of the sample before and after annealing. Such reconstructions have only been done before with completely recrystallized samples, so this was a unique opportunity to compare orientations observed locally...

  6. Crystal nucleation in lithium borate glass (United States)

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


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

  7. Making Theory Come Alive through Practice-based Design Research

    DEFF Research Database (Denmark)

    Markussen, Thomas; Knutz, Eva; Rind Christensen, Poul

    The aim of this paper is to demonstrate how practice-based design research is able not only to challenge, but also to push toward further development of some of the basic assumpstions in emotion theories as used within design research. In so doing, we wish to increase knolwedge on a central...... epistemological question for design research, namely how practice-based design research can be a vehicle for the construction of new theory for design research....

  8. Application of the Theory of Constraints in Project Based Structures


    Martynas Sarapinas; Vytautas Pranas Sūdžius


    The article deals with the application of the Theory of Constraints (TOC) in project management. This article involves a short introduction to TOC as a project management method and deep analysis of project management specialties using the TOC: TOC based project planning, timetable management, tasks synchronization, project control and “relay runner work ethic”. Moreover, the article describes traditional and TOC based project management theories in their comparison, and emphasize the main be...

  9. Modern Resource-Based Theory(ies)

    DEFF Research Database (Denmark)

    Foss, Nicolai Juul; Stieglitz, Nils

    We survey the resource-based view in strategic management, focusing on its roots in economics. We organize our discussion in terms of the Gavetti and Levinthal distinction between a “high church” and a “low church” resource-based view, and argue that these hitherto rather separate streams...

  10. Pressure control in interfacial systems: Atomistic simulations of vapor nucleation (United States)

    Marchio, S.; Meloni, S.; Giacomello, A.; Valeriani, C.; Casciola, C. M.


    A large number of phenomena of scientific and technological interest involve multiple phases and occur at constant pressure of one of the two phases, e.g., the liquid phase in vapor nucleation. It is therefore of great interest to be able to reproduce such conditions in atomistic simulations. Here we study how popular barostats, originally devised for homogeneous systems, behave when applied straightforwardly to heterogeneous systems. We focus on vapor nucleation from a super-heated Lennard-Jones liquid, studied via hybrid restrained Monte Carlo simulations. The results show a departure from the trends predicted for the case of constant liquid pressure, i.e., from the conditions of classical nucleation theory. Artifacts deriving from standard (global) barostats are shown to depend on the size of the simulation box. In particular, for Lennard-Jones liquid systems of 7000 and 13 500 atoms, at conditions typically found in the literature, we have estimated an error of 10-15 kBT on the free-energy barrier, corresponding to an error of 104-106 s-1σ-3 on the nucleation rate. A mechanical (local) barostat is proposed which heals the artifacts for the considered case of vapor nucleation.

  11. Ground reaction curve based upon block theory

    International Nuclear Information System (INIS)

    Yow, J.L. Jr.; Goodman, R.E.


    Discontinuities in a rock mass can intersect an excavation surface to form discrete blocks (keyblocks) which can be unstable. Once a potentially unstable block is identified, the forces affecting it can be calculated to assess its stability. The normal and shear stresses on each block face before displacement are calculated using elastic theory and are modified in a nonlinear way by discontinuity deformations as the keyblock displaces. The stresses are summed into resultant forces to evaluate block stability. Since the resultant forces change with displacement, successive increments of block movement are examined to see whether the block ultimately becomes stable or fails. Two-dimensional (2D) and three-dimensional (3D) analytic models for the stability of simple pyramidal keyblocks were evaluated. Calculated stability is greater for 3D analyses than for 2D analyses. Calculated keyblock stability increases with larger in situ stress magnitudes, larger lateral stress ratios, and larger shear strengths. Discontinuity stiffness controls blocks displacement more strongly than it does stability itself. Large keyblocks are less stable than small ones, and stability increases as blocks become more slender

  12. Computer simulations of homogeneous nucleation of benzene from the melt. (United States)

    Shah, Manas; Santiso, Erik E; Trout, Bernhardt L


    Nucleation is the key step in crystallization by which the molecules (or atoms or ions) aggregate together, find the right relative orientations, and start to grow to form the final crystal structure. Since nucleation is an activated step involving a large gap in time scales between molecular motions and the nucleation event itself, nucleation must be studied using rare events methods. We employ a technique developed previously in our group known as aimless shooting [Peters, B.; Trout, B. L. J. Chem. Phys., 2006, 125, 054108], which is based on transition path sampling, to generate reactive trajectories between the disordered and ordered phases of benzene. Using the likelihood maximization algorithm, we analyze the aimless shooting trajectories to identify the key order parameters or collective variables to describe the reaction coordinate for the nucleation of benzene from the melt. We find that the local bond orientation and local relative orientation order parameters are the most important collective variables in describing the reaction coordinate for homogeneous nucleation from the melt, as compared to cluster size and space-averaged order parameters. This study also demonstrates the utility of recently developed order parameters for molecular crystals [Santiso, E. E.; Trout, B. L. J. Chem. Phys., 2011, 134, 064109].

  13. DFT study on the atomic-scale nucleation path of graphene growth on the Cu(111) surface. (United States)

    Li, Yingfeng; Li, Meicheng; Wang, Tai; Bai, Fan; Yu, Yang-Xin


    The nucleation path of graphene growth on the Cu(111) surface is investigated by importing carbon atoms step-by-step using density functional theory (DFT) calculations. An overall path of graphene nucleation has been proposed based on configuration and energy analysis. At the very first stage, linear chains will be formed and dominate the copper surface. Then, Y-type (furcate) carbon species will be shaped when new carbon atoms are absorbed aside the linear chains. Finally, ring-containing carbon species and graphene islands will be formed stepwise, with energetic preference. We find that the Y-type and ring-containing carbon species are not likely formed directly at the initial stage of graphene nucleation, but should be formed starting from linear chains. The nucleation limiting step is the formation of the Y-type species, which must pass an energy barrier of about 0.25 eV. These underlying observations are instructive to stimulate future experimental efforts on graphene synthesis.

  14. Convective boiling in a parallel microchannel heat sink with a diverging cross-section design and artificial nucleation sites

    International Nuclear Information System (INIS)

    Lu, Chun Ting; Pan, Chin


    To develop a highly stable boiling heat transfer microchannel heat sink, the three types of diverging microchannels, namely Type-1, Type-2 and Type-3, were designed to explore experimentally the effect of different distribution of artificial nucleation sites on enhancing boiling heat transfer in 10 parallel diverging microchannels with a mean hydraulic diameter of 120 μm. The Type-1 system is with no cavities, Type-2 is with cavities distributed uniformly along the downstream half of the channel, while Type-3 is with cavities distributed uniformly along the whole channel. The artificial nucleation sites are laser-etched pits on the channel bottom wall with a mouth diameter of about 20-22 μm based on the heterogeneous nucleation theory. The results of the present study reveal the presence of the artificial nucleation sites for flow boiling in parallel diverging microchannel significantly reduces the wall superheat and enhances the boiling heat transfer performance. Additionally, the Type-3 design demonstrates the best boiling heat transfer performance. (author)

  15. Nucleation and growth of lead oxide particles in liquid lead-bismuth eutectic. (United States)

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


    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.

  16. Postmodern Fuzzy System Theory: A Deconstruction Approach Based on Kabbalah

    Directory of Open Access Journals (Sweden)

    Gabriel Burstein


    Full Text Available Modern general system theory proposed a holistic integrative approach based on input-state-output dynamics as opposed to the traditional reductionist detail based approach. Information complexity and uncertainty required a fuzzy system theory, based on fuzzy sets and fuzzy logic. While successful in dealing with analysis, synthesis and control of technical engineering systems, general system theory and fuzzy system theory could not fully deal with humanistic and human-like intelligent systems which combine technical engineering components with human or human-like components characterized by their cognitive, emotional/motivational and behavioral/action levels of operation. Such humanistic systems are essential in artificial intelligence, cognitive and behavioral science applications, organization management and social systems, man-machine systems or human factor systems, behavioral knowledge based economics and finance applications. We are introducing here a “postmodern fuzzy system theory” for controlled state dynamics and output fuzzy systems and fuzzy rule based systems using our earlier postmodern fuzzy set theory and a Kabbalah possible worlds model of modal logic and semantics type. In order to create a postmodern fuzzy system theory, we “deconstruct” a fuzzy system in order to incorporate in it the cognitive, emotional and behavioral actions and expressions levels characteristic for humanistic systems. Kabbalah offers a structural, fractal and hierarchic model for integrating cognition, emotions and behavior. We obtain a canonic deconstruction for a fuzzy system into its cognitive, emotional and behavioral fuzzy subsystems.

  17. Uncertainty in counting ice nucleating particles with continuous flow diffusion chambers (United States)

    Garimella, Sarvesh; Rothenberg, Daniel A.; Wolf, Martin J.; David, Robert O.; Kanji, Zamin A.; Wang, Chien; Rösch, Michael; Cziczo, Daniel J.


    This study investigates the measurement of ice nucleating particle (INP) concentrations and sizing of crystals using continuous flow diffusion chambers (CFDCs). CFDCs have been deployed for decades to measure the formation of INPs under controlled humidity and temperature conditions in laboratory studies and by ambient aerosol populations. These measurements have, in turn, been used to construct parameterizations for use in models by relating the formation of ice crystals to state variables such as temperature and humidity as well as aerosol particle properties such as composition and number. We show here that assumptions of ideal instrument behavior are not supported by measurements made with a commercially available CFDC, the SPectrometer for Ice Nucleation (SPIN), and the instrument on which it is based, the Zurich Ice Nucleation Chamber (ZINC). Non-ideal instrument behavior, which is likely inherent to varying degrees in all CFDCs, is caused by exposure of particles to different humidities and/or temperatures than predicated from instrument theory of operation. This can result in a systematic, and variable, underestimation of reported INP concentrations. We find here variable correction factors from 1.5 to 9.5, consistent with previous literature values. We use a machine learning approach to show that non-ideality is most likely due to small-scale flow features where the aerosols are combined with sheath flows. Machine learning is also used to minimize the uncertainty in measured INP concentrations. We suggest that detailed measurement, on an instrument-by-instrument basis, be performed to characterize this uncertainty.

  18. Thermodynamics and nucleation mechanism of ammonium jarosite in sulfuric acid solution (United States)

    Liu, PengFei; Zhang, YiFei; Wang, Li; You, ShaoWei; Bo, Jing


    Jarosite process is one of the most widely used methods in removing Fe, but in which the nucleation mechanism of ammonium jarosite has not been reported. Solubilities of the ammonium jarosite crystals under different Fe2(SO4)3 and (NH4)2SO4 concentrations and under different temperatures were measured, and the experiments of induction periods were systematically investigated in different temperatures (348 k, 358 k and 368 k) and H2SO4 concentrations (9 g/L, 10.8 g/L and 12.6 g/L) by reaction crystallization process based on the thermodynamic equilibrium data. According to the model of classical nucleation theory, the interfacial tension and the surface entropy factors in different conditions were calculated as 1.21 mJ/m2, 1.85 mJ/m2, 1.71 mJ/m2 and 1.51, 1.27, 1.17. The SEM photographs of (H3O, NH4)Fe3(SO4)2(OH)6 approved that the ammonium jarosite crystals were clearly grown by the two-dimensional nucleation mechanism and/or the spiral growth mechanism. But the growth mechanism of (H3O, NH4)Fe3(SO4)2(OH)6 had been determined to be the continuous growth by the surface entropy factor.

  19. Dynamical theory of subconstituents based on ternary algebras

    International Nuclear Information System (INIS)

    Bars, I.; Guenaydin, M.


    We propose a dynamical theory of possible fundamental constituents of matter. Our scheme is based on (super) ternary algebras which are building blocks of Lie (super) algebras. Elementary fields, called ''ternons,'' are associated with the elements of a (super) ternary algebra. Effective gauge bosons, ''quarks,'' and ''leptons'' are constructed as composite fields from ternons. We propose two- and four-dimensional (super) ternon theories whose structures are closely related to CP/sub N/ and Yang-Mills theories and their supersymmetric extensions. We conjecture that at large distances (low energies) the ternon theories dynamically produce effective gauge theories and thus may be capable of explaining the present particle-physics phenomenology. Such a scenario is valid in two dimensions


    Directory of Open Access Journals (Sweden)



    Full Text Available Empirical analysis of fiscal and budgetary policies cannot be achieved without first knowing how they are viewed in the economic theories. This approach is important to indicate the position and implications of fiscal and budgetary policy tools in the economic theory considering their major differences. Therefore, the paper aims is to investigate the fiscal and budgetary policies based on economic theories such as neoclassical, Keynesian and neo-Keynesian theory in order to indicate their divergent points. Once known these approaches at the economic theory level is easier to establish the appropriate measures taking into consideration the framing of a country economy in a certain pattern. This work was supported from the European Social Fund through Sectoral Operational Programme Human Resources Development 2007-2013, project number POSDRU/89/1.5/S/59184 „Performance and excellence in postdoctoral research in Romanian economics science domain” (contract no. 0501/01.11.2010.


    Directory of Open Access Journals (Sweden)

    O. Miroshnychenko


    Full Text Available The essence of resource-based view is focus on using unique and rare combination of resources, core competences and organizational capabilities of the firm. The new intellectual resources and their combination provide the formation of sustainable competitive advantages. Therefore, it seems there is necessity to join in research the application of resource-based theory to creation of new combination of resources in dynamic environment. In this paper modern areas of development of resource-based theory have been considered. The concept of knowledge management, the concept of open innovation, the resource-based view and the system organization of economy have been characterised.

  2. Playing styles based on experiential learning theory

    NARCIS (Netherlands)

    Bontchev, Boyan; Vassileva, Dessislava; Aleksieva-Petrova, Adelina; Petrov, Milen


    In recent years, many researchers have reported positive outcomes and effects from applying computer games to the educational process. The main preconditions for an effective game-based learning process include the presence of high learning interest and the desire to study hard. Therefore,

  3. Theory of metasurface based perfect absorbers (United States)

    Alaee, Rasoul; Albooyeh, Mohammad; Rockstuhl, Carsten


    Based on an analytic approach, we present a theoretical review on the absorption, scattering, and extinction of both dipole scatterers and regular arrays composed of such scatterers i.e. metasurfaces. Besides offering a tutorial by outlining the maximum absorption limit for electrically/magnetically resonant dipole particles/metasurfaces, we give an educative analytical approach to their analysis. Moreover, we put forward the analysis of two known alternatives in providing perfect absorbers out of electrically and or magnetically resonant metasurfaces; one is based on the simultaneous presence of both electric and magnetic responses in so called Huygens metasurfaces while the other is established upon the presence of a back reflector in so called Salisbury absorbers. Our work is supported by several numerical examples to clarify the discussions in each stage.

  4. Complexity measurement based on information theory and kolmogorov complexity. (United States)

    Lui, Leong Ting; Terrazas, Germán; Zenil, Hector; Alexander, Cameron; Krasnogor, Natalio


    In the past decades many definitions of complexity have been proposed. Most of these definitions are based either on Shannon's information theory or on Kolmogorov complexity; these two are often compared, but very few studies integrate the two ideas. In this article we introduce a new measure of complexity that builds on both of these theories. As a demonstration of the concept, the technique is applied to elementary cellular automata and simulations of the self-organization of porphyrin molecules.

  5. Opera house acoustics based on subjective preference theory

    CERN Document Server

    Ando, Yoichi


    This book focuses on opera house acoustics based on subjective preference theory; it targets researchers in acoustics and vision who are working in physics, psychology, and brain physiology. This book helps readers to understand any subjective attributes in relation to objective parameters based on the powerful and workable model of the auditory system. It is reconfirmed here that the well-known Helmholtz theory, which was based on a peripheral model of the auditory system, may not well describe pitch, timbre, and duration as well as the spatial sensations described in this book, nor overall responses such as subjective preference of sound fields and the annoyance of environmental noise.

  6. Mapping site-based construction workers’ motivation: Expectancy theory approach


    Ghoddousi, Parviz; Bahrami, Nima; Chileshe, Nicholas; Hosseini, M.Reza


    The aim of this study is to apply a recently proposed model of motivation based on expectancy theory to site-based workers in the construction context and confirm the validity of this model for the construction industry. The study drew upon data from 194 site-based construction workers in Iran to test the proposed model of motivation. To this end, the structural equation modelling (SEM) approach based on the confirmatory factor analysis (CFA) technique was deployed. The study reveals that the...

  7. Model-Based Learning: A Synthesis of Theory and Research (United States)

    Seel, Norbert M.


    This article provides a review of theoretical approaches to model-based learning and related research. In accordance with the definition of model-based learning as an acquisition and utilization of mental models by learners, the first section centers on mental model theory. In accordance with epistemology of modeling the issues of semantics,…

  8. Modeling acquaintance networks based on balance theory

    Directory of Open Access Journals (Sweden)

    Vukašinović Vida


    Full Text Available An acquaintance network is a social structure made up of a set of actors and the ties between them. These ties change dynamically as a consequence of incessant interactions between the actors. In this paper we introduce a social network model called the Interaction-Based (IB model that involves well-known sociological principles. The connections between the actors and the strength of the connections are influenced by the continuous positive and negative interactions between the actors and, vice versa, the future interactions are more likely to happen between the actors that are connected with stronger ties. The model is also inspired by the social behavior of animal species, particularly that of ants in their colony. A model evaluation showed that the IB model turned out to be sparse. The model has a small diameter and an average path length that grows in proportion to the logarithm of the number of vertices. The clustering coefficient is relatively high, and its value stabilizes in larger networks. The degree distributions are slightly right-skewed. In the mature phase of the IB model, i.e., when the number of edges does not change significantly, most of the network properties do not change significantly either. The IB model was found to be the best of all the compared models in simulating the e-mail URV (University Rovira i Virgili of Tarragona network because the properties of the IB model more closely matched those of the e-mail URV network than the other models

  9. Nucleation and Atmospheric Aerosols 17th International Conference, Galway, Ireland, 2007

    CERN Document Server

    O'Dowd, Colin D


    Atmospheric particles are ubiquitous in the atmosphere: they form the seeds for cloud droplets and they form haze layers, blocking out incoming radiation and contributing to a partial cooling of our climate. They also contribute to poor air quality and health impacts. A large fraction of aerosols are formed from nucleation processes – that is a phase transition from vapour to liquid or solid particles. Examples are the formation of stable clusters about 1 nm in size from molecular collisions and these in turn can grow into larger (100 nm or more) haze particles via condensation to the formation of ice crystals in mixed phase or cold clouds. This book brings together the leading experts from the nucleation and atmospheric aerosols research communities to present the current state-of-the-art knowledge in these related fields. Topics covered are: Nucleation Experiment & Theory, Binary, Homogeneous and Heterogeneous Nucleation, Ion & Cluster Properties During Nucleation, Aerosol Characterisation & P...

  10. Contraction theory based adaptive synchronization of chaotic systems

    International Nuclear Information System (INIS)

    Sharma, B.B.; Kar, I.N.


    Contraction theory based stability analysis exploits the incremental behavior of trajectories of a system with respect to each other. Application of contraction theory provides an alternative way for stability analysis of nonlinear systems. This paper considers the design of a control law for synchronization of certain class of chaotic systems based on backstepping technique. The controller is selected so as to make the error dynamics between the two systems contracting. Synchronization problem with and without uncertainty in system parameters is discussed and necessary stability proofs are worked out using contraction theory. Suitable adaptation laws for unknown parameters are proposed based on the contraction principle. The numerical simulations verify the synchronization of the chaotic systems. Also parameter estimates converge to their true values with the proposed adaptation laws.

  11. Ice nucleation activity of polysaccharides (United States)

    Bichler, Magdalena; Felgitsch, Laura; Haeusler, Thomas; Seidl-Seiboth, Verena; Grothe, Hinrich


    Heterogeneous ice nucleation is an important process in the atmosphere. It shows direct impact on our climate by triggering ice cloud formation and therefore it has much influence on the radiation balance of our planet (Lohmann et al. 2002; Mishchenko et al. 1996). The process itself is not completely understood so far and many questions remain open. Different substances have been found to exhibit ice nucleation activity (INA). Due to their vast differences in chemistry and morphology it is difficult to predict what substance will make good ice nuclei and which will not. Hence simple model substances must be found and be tested regarding INA. Our work aims at gaining to a deeper understanding of heterogeneous ice nucleation. We intend to find some reference standards with defined chemistry, which may explain the mechanisms of heterogeneous ice nucleation. A particular focus lies on biological carbohydrates in regards to their INA. Biological carbohydrates are widely distributed in all kingdoms of life. Mostly they are specific for certain organisms and have well defined purposes, e.g. structural polysaccharides like chitin (in fungi and insects) and pectin (in plants), which has also water-binding properties. Since they are widely distributed throughout our biosphere and mostly safe to use for nutrition purposes, they are well studied and easily accessible, rendering them ideal candidates as proxies. In our experiments we examined various carbohydrates, like the already mentioned chitin and pectin, as well as their chemical modifications. Lohmann U.; A Glaciation Indirect Aerosol Effect Caused by Soot Aerosols; J. Geoph. Res.; Vol. 24 No.4; pp 11-1 - 11-4; 2002 Mishchenko M.I., Rossow W.B., Macke A., Lacis A. A.; Sensitivity of Cirrus Cloud Albedo, Bidirectional Reflectance and Optical Thickness Retrieval Accuracy to Ice Particle Shape, J. Geoph. Res.; Vol. 101, No D12; pp. 16,973 - 16,985; 1996

  12. Epitaxial nucleation and growth of molecular films (United States)

    Hooks, Daniel Edwin


    The last decade has witnessed an increased emphasis on the design and use of molecular-based materials, commonly in thin film form, as components in electronic devices, sensors, displays, and logic elements. The growing interest in films based on molecular components, rather than their more traditional inorganic counterparts, stems largely from the premise that collective optical and electronic properties can be systematically manipulated through molecular design. Many of these properties depend strongly upon film structure and orientation with respect to the substrate upon which they are deposited. This relationship mandates careful attention to the interface between the primary molecular overlayer and the substrate. Further advances in molecular films and multilayer composites based on molecular films require improved understanding of the role of epitaxy in molecular organization as well as the nucleation events that precede film formation. Determination of critical nucleus dimensions and elucidation of the factors that govern critical size are particularly important for fabricating nanoscale molecular features and controlling domain defects in contiguous molecular films. This thesis describes an examination of the role of epitaxy in the growth of molecular films, including a hierarchical classification and grammar of molecular epitaxy, an atomic force microscopy (AFM) investigation of the intercalation of molecular components into multilayer organic-inorganic composites, and an AFM investigation of the nucleation of molecular films.

  13. Game Theory-based Channel Selection for LTE-U


    Ciccarelli, Enrico


    The Project intends to analyse the performance of a game theory-based channel selection in LTE-U. The main topic of this thesis project is the study of a channel selection strategy for LTE-U based on the game theory. The method consists on a repeated game where each small cell is a player with the purpose of finding the best channel where to set up the LTE-U carrier and it uses the ITEL-BA algorithm in order to make the system to converge to a Nash Equilibrium state. The aim is to evaluate...

  14. Application of the Theory of Constraints in Project Based Structures

    Directory of Open Access Journals (Sweden)

    Martynas Sarapinas


    Full Text Available The article deals with the application of the Theory of Constraints (TOC in project management. This article involves a short introduction to TOC as a project management method and deep analysis of project management specialties using the TOC: TOC based project planning, timetable management, tasks synchronization, project control and “relay runner work ethic”. Moreover, the article describes traditional and TOC based project management theories in their comparison, and emphasize the main benefits we received as the results of the study. Article in Lithuanian

  15. Continuing bonds in bereavement: an attachment theory based perspective. (United States)

    Field, Nigel P; Gao, Beryl; Paderna, Lisa


    An attachment theory based perspective on the continuing bond to the deceased (CB) is proposed. The value of attachment theory in specifying the normative course of CB expression and in identifying adaptive versus maladaptive variants of CB expression based on their deviation from this normative course is outlined. The role of individual differences in attachment security on effective versus ineffective use of CB in coping with bereavement also is addressed. Finally, the moderating influence of type of loss (e.g., death of a spouse vs. child), culture, and religion on type of CB expression within an overarching attachment framework is discussed.

  16. Power Quality Enhancement Using Power Balance Theory Based DSTATCOM

    Directory of Open Access Journals (Sweden)

    Jampana Bangarraju


    Full Text Available The DSTATCOM (Distributed Static Compensator is used for current harmonic mitigation, Power Factor Correction (PFC, reactive power compensation, load balancing and neutral current compensation in the Power Distribution System (PDS. In this paper, the power balance theory based DSTATCOM is used for power quality enhancement like current harmonic mitigation, power factor correction (PFC, reactive power compensation, load balancing and neural current compensation and load balancing. A non-isolated star/delta transformer is to reduce dc-link voltage v_(dc of Voltage Source Converter (VSC and neutral current compensation. The reference source currents can be extracted quickly by using proposed power balance theory. The proposed power balance theory based DSTATCOM is modeled and simulated using MATLAB/SIMULINK under PFC and ZVR (Zero Voltage Regulation operations.

  17. Urediospores of Puccinia spp. and other rusts are warm-temperature ice nucleators and harbor ice nucleation active bacteria (United States)

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


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

  18. Unifying ecology and macroevolution with individual-based theory. (United States)

    Rosindell, James; Harmon, Luke J; Etienne, Rampal S


    A contemporary goal in both ecology and evolutionary biology is to develop theory that transcends the boundary between the two disciplines, to understand phenomena that cannot be explained by either field in isolation. This is challenging because macroevolution typically uses lineage-based models, whereas ecology often focuses on individual organisms. Here, we develop a new parsimonious individual-based theory by adding mild selection to the neutral theory of biodiversity. We show that this model generates realistic phylogenies showing a slowdown in diversification and also improves on the ecological predictions of neutral theory by explaining the occurrence of very common species. Moreover, we find the distribution of individual fitness changes over time, with average fitness increasing at a pace that depends positively on community size. Consequently, large communities tend to produce fitter species than smaller communities. These findings have broad implications beyond biodiversity theory, potentially impacting, for example, invasion biology and paleontology. © 2015 The Authors. Ecology Letters published by John Wiley & Sons Ltd and CNRS.

  19. Thermostability analysis of line-tension-associated nucleation at a gas-liquid interface (United States)

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


    The influence of line tension on the thermostability of a droplet nucleated from an oversaturated vapor at the interface of the vapor and another immiscible liquid is investigated. Along with the condition of mechanical equilibrium, the notion of extremization of the reversible work of formation is considered to obtain the critical parameters related to heterogeneous nucleation. From the energetic formulation, the critical reversible work of formation is found to be greater than that of homogeneous nucleation for high value of the positive line tension. On the other hand, for high value of the negative line tension, the critical reversible work of formation becomes negative. Therefore, these thermodynamic instabilities under certain substrate wettability situations necessitate a free-energetics-based stability of the nucleated droplet, because the system energy is not minimized under these conditions. This thermostability is analogous to the transition-based stability proposed by Widom [B. Widom, J. Phys. Chem. 99, 2803 (1995)], 10.1021/j100009a041 in the case of partial wetting phenomena along with the positive line tension. The thermostability analysis limits the domain of the solution space of the present critical-value problem as the thermodynamic transformation in connection with homogeneous and workless nucleation is considered. Within the stability range of the geometry-based wetting parameters, three limiting modes of nucleation, i.e., total-dewetting-related homogeneous nucleation, and total-wetting-associated and total-submergence-associated workless nucleation scenarios, are identified. Either of the two related limiting wetting scenarios of workless nucleation, namely, total wetting and total submergence, is found to be favorable depending on the geometry-based wetting conditions. The line-tension-associated nucleation on a liquid surface can be differentiated from that on a rigid substrate, as in the former, the stability based on mechanical

  20. Responses of Mixed-Phase Cloud Condensates and Cloud Radiative Effects to Ice Nucleating Particle Concentrations in NCAR CAM5 and DOE ACME Climate Models (United States)

    Liu, X.; Shi, Y.; Wu, M.; Zhang, K.


    Mixed-phase clouds frequently observed in the Arctic and mid-latitude storm tracks have the substantial impacts on the surface energy budget, precipitation and climate. In this study, we first implement the two empirical parameterizations (Niemand et al. 2012 and DeMott et al. 2015) of heterogeneous ice nucleation for mixed-phase clouds in the NCAR Community Atmosphere Model Version 5 (CAM5) and DOE Accelerated Climate Model for Energy Version 1 (ACME1). Model simulated ice nucleating particle (INP) concentrations based on Niemand et al. and DeMott et al. are compared with those from the default ice nucleation parameterization based on the classical nucleation theory (CNT) in CAM5 and ACME, and with in situ observations. Significantly higher INP concentrations (by up to a factor of 5) are simulated from Niemand et al. than DeMott et al. and CNT especially over the dust source regions in both CAM5 and ACME. Interestingly the ACME model simulates higher INP concentrations than CAM5, especially in the Polar regions. This is also the case when we nudge the two models' winds and temperature towards the same reanalysis, indicating more efficient transport of aerosols (dust) to the Polar regions in ACME. Next, we examine the responses of model simulated cloud liquid water and ice water contents to different INP concentrations from three ice nucleation parameterizations (Niemand et al., DeMott et al., and CNT) in CAM5 and ACME. Changes in liquid water path (LWP) reach as much as 20% in the Arctic regions in ACME between the three parameterizations while the LWP changes are smaller and limited in the Northern Hemispheric mid-latitudes in CAM5. Finally, the impacts on cloud radiative forcing and dust indirect effects on mixed-phase clouds are quantified with the three ice nucleation parameterizations in CAM5 and ACME.

  1. Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations (United States)


    The nucleation of crystals in liquids is one of nature’s most ubiquitous phenomena, playing an important role in areas such as climate change and the production of drugs. As the early stages of nucleation involve exceedingly small time and length scales, atomistic computer simulations can provide unique insights into the microscopic aspects of crystallization. In this review, we take stock of the numerous molecular dynamics simulations that, in the past few decades, have unraveled crucial aspects of crystal nucleation in liquids. We put into context the theoretical framework of classical nucleation theory and the state-of-the-art computational methods by reviewing simulations of such processes as ice nucleation and the crystallization of molecules in solutions. We shall see that molecular dynamics simulations have provided key insights into diverse nucleation scenarios, ranging from colloidal particles to natural gas hydrates, and that, as a result, the general applicability of classical nucleation theory has been repeatedly called into question. We have attempted to identify the most pressing open questions in the field. We believe that, by improving (i) existing interatomic potentials and (ii) currently available enhanced sampling methods, the community can move toward accurate investigations of realistic systems of practical interest, thus bringing simulations a step closer to experiments. PMID:27228560

  2. Toward an Instructionally Oriented Theory of Example-Based Learning (United States)

    Renkl, Alexander


    Learning from examples is a very effective means of initial cognitive skill acquisition. There is an enormous body of research on the specifics of this learning method. This article presents an instructionally oriented theory of example-based learning that integrates theoretical assumptions and findings from three research areas: learning from…

  3. Unifying ecology and macroevolution with individual-based theory

    NARCIS (Netherlands)

    Rosindell, James; Harmon, Luke J.; Etienne, Rampal S.

    A contemporary goal in both ecology and evolutionary biology is to develop theory that transcends the boundary between the two disciplines, to understand phenomena that cannot be explained by either field in isolation. This is challenging because macroevolution typically uses lineage-based models,

  4. PhysarumSoft: An update based on rough set theory (United States)

    Schumann, Andrew; Pancerz, Krzysztof


    PhysarumSoft is a software tool consisting of two modules developed for programming Physarum machines and simulating Physarum games, respectively. The paper briefly discusses what has been added since the last version released in 2015. New elements in both modules are based on rough set theory. Rough sets are used to model behaviour of Physarum machines and to describe strategy games.

  5. Long-Term Mean Wind Profiles Based on Similarity Theory

    DEFF Research Database (Denmark)

    Kelly, Mark C.; Gryning, Sven-Erik


    We provide general forms for long-term mean wind profiles from similarity-based wind profiles, beginning with a probabilistic adaptation of Monin–Obukhov similarity theory. We develop an analytical formulation for the stability distributions prevailing in the atmospheric surface layer, which...

  6. A theory of game trees, based on solution trees

    NARCIS (Netherlands)

    W.H.L.M. Pijls (Wim); A. de Bruin (Arie); A. Plaat (Aske)


    textabstractIn this paper a complete theory of game tree algorithms is presented, entirely based upon the notion of a solution tree. Two types of solution trees are distinguished: max and min solution trees respectively. We show that most game tree algorithms construct a superposition of a max and a

  7. Technical Note: Application of Decision Theory Based Criteria for ...

    African Journals Online (AJOL)

    Technical Note: Application of Decision Theory Based Criteria for Structural Appraisal of a Building during Construction. ... Nigerian Journal of Technology ... reliability of concrete in a structure during construction, a case study of laboratory block for College of Continuing Education, University of Port Harcourt, Rivers State.

  8. A Natural Teaching Method Based on Learning Theory. (United States)

    Smilkstein, Rita


    The natural teaching method is active and student-centered, based on schema and constructivist theories, and informed by research in neuroplasticity. A schema is a mental picture or understanding of something we have learned. Humans can have knowledge only to the degree to which they have constructed schemas from learning experiences and practice.…

  9. New MPPT algorithm based on hybrid dynamical theory

    KAUST Repository

    Elmetennani, Shahrazed


    This paper presents a new maximum power point tracking algorithm based on the hybrid dynamical theory. A multiceli converter has been considered as an adaptation stage for the photovoltaic chain. The proposed algorithm is a hybrid automata switching between eight different operating modes, which has been validated by simulation tests under different working conditions. © 2014 IEEE.

  10. Using Activity Theory as a Base for Investigating Language Teacher ...

    African Journals Online (AJOL)

    Using Activity Theory as a Base for Investigating Language Teacher Education through Digital Technology. ... Findings indicate that the platform has features that can lever transformation of teaching and learning practices that facilitate the development of pre-service teachers' competences. However, use of the platform is ...

  11. Homogeneous nucleation in liquid nitrogen at negative pressures

    Energy Technology Data Exchange (ETDEWEB)

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


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

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

    Zhang, Yang; Kang, Zhixin; Bessho, Takeshi


    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.

  13. Thermodynamic and Dynamic Aspects of Ice Nucleation (United States)

    Barahona, Donifan


    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.

  14. Mapping site-based construction workers’ motivation: Expectancy theory approach

    Directory of Open Access Journals (Sweden)

    Parviz Ghoddousi


    Full Text Available The aim of this study is to apply a recently proposed model of motivation based on expectancy theory to site-based workers in the construction context and confirm the validity of this model for the construction industry. The study drew upon data from 194 site-based construction workers in Iran to test the proposed model of motivation. To this end, the structural equation modelling (SEM approach based on the confirmatory factor analysis (CFA technique was deployed. The study reveals that the proposed model of expectancy theory incorporating five indicators (i.e. intrinsic instrumentality, extrinsic instrumentality, intrinsic valence, extrinsic valence and expectancy is able to map the process of construction workers’ motivation. Nonetheless, the findings posit that intrinsic indicators could be more effective than extrinsic ones. This proffers the necessity of construction managers placing further focus on intrinsic motivators to motivate workers. 

  15. Mapping site-based construction workers’ motivation: Expectancy theory approach

    Directory of Open Access Journals (Sweden)

    Parviz Ghoddousi


    Full Text Available The aim of this study is to apply a recently proposed model of motivation based on expectancy theory to site-based workers in the construction context and confirm the validity of this model for the construction industry. The study drew upon data from 194 site-based construction workers in Iran to test the proposed model of motivation. To this end, the structural equation modelling (SEM approach based on the confirmatory factor analysis (CFA technique was deployed. The study reveals that the proposed model of expectancy theory incorporating five indicators (i.e. intrinsic instrumentality, extrinsic instrumentality, intrinsic valence, extrinsic valence and expectancy is able to map the process of construction workers’ motivation. Nonetheless, the findings posit that intrinsic indicators could be more effective than extrinsic ones. This proffers the necessity of construction managers placing further focus on intrinsic motivators to motivate workers.

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

    International Nuclear Information System (INIS)

    Andrieu, Murielle


    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

  17. A note on the nucleation with multiple steps: parallel and series nucleation. (United States)

    Iwamatsu, Masao


    Parallel and series nucleation are the basic elements of the complex nucleation process when two saddle points exist on the free-energy landscape. It is pointed out that the nucleation rates follow formulas similar to those of parallel and series connection of resistors or conductors in an electric circuit. Necessary formulas to calculate individual nucleation rates at the saddle points and the total nucleation rate are summarized, and the extension to the more complex nucleation process is suggested. © 2012 American Institute of Physics

  18. Qualitative model-based diagnosis using possibility theory (United States)

    Joslyn, Cliff


    The potential for the use of possibility in the qualitative model-based diagnosis of spacecraft systems is described. The first sections of the paper briefly introduce the Model-Based Diagnostic (MBD) approach to spacecraft fault diagnosis; Qualitative Modeling (QM) methodologies; and the concepts of possibilistic modeling in the context of Generalized Information Theory (GIT). Then the necessary conditions for the applicability of possibilistic methods to qualitative MBD, and a number of potential directions for such an application, are described.

  19. Surface structure, crystallographic and ice-nucleating properties of cellulose (United States)

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


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

  20. Theory of chemical kinetics and charge transfer based on nonequilibrium thermodynamics. (United States)

    Bazant, Martin Z


    Advances in the fields of catalysis and electrochemical energy conversion often involve nanoparticles, which can have kinetics surprisingly different from the bulk material. Classical theories of chemical kinetics assume independent reactions in dilute solutions, whose rates are determined by mean concentrations. In condensed matter, strong interactions alter chemical activities and create variations that can dramatically affect the reaction rate. The extreme case is that of a reaction coupled to a phase transformation, whose kinetics must depend not only on the order parameter but also on its gradients at phase boundaries. Reaction-driven phase transformations are common in electrochemistry, when charge transfer is accompanied by ion intercalation or deposition in a solid phase. Examples abound in Li-ion, metal-air, and lead-acid batteries, as well as metal electrodeposition-dissolution. Despite complex thermodynamics, however, the standard kinetic model is the Butler-Volmer equation, based on a dilute solution approximation. The Marcus theory of charge transfer likewise considers isolated reactants and neglects elastic stress, configurational entropy, and other nonidealities in condensed phases. The limitations of existing theories recently became apparent for the Li-ion battery material LixFePO4 (LFP). It has a strong tendency to separate into Li-rich and Li-poor solid phases, which scientists believe limits its performance. Chemists first modeled phase separation in LFP as an isotropic "shrinking core" within each particle, but experiments later revealed striped phase boundaries on the active crystal facet. This raised the question: What is the reaction rate at a surface undergoing a phase transformation? Meanwhile, dramatic rate enhancement was attained with LFP nanoparticles, and classical battery models could not predict the roles of phase separation and surface modification. In this Account, I present a general theory of chemical kinetics, developed over

  1. A Game Theory Based Solution for Security Challenges in CRNs (United States)

    Poonam; Nagpal, Chander Kumar


    Cognitive radio networks (CRNs) are being envisioned to drive the next generation Ad hoc wireless networks due to their ability to provide communications resilience in continuously changing environments through the use of dynamic spectrum access. Conventionally CRNs are dependent upon the information gathered by other secondary users to ensure the accuracy of spectrum sensing making them vulnerable to security attacks leading to the need of security mechanisms like cryptography and trust. However, a typical cryptography based solution is not a viable security solution for CRNs owing to their limited resources. Effectiveness of trust based approaches has always been, in question, due to credibility of secondary trust resources. Game theory with its ability to optimize in an environment of conflicting interests can be quite a suitable tool to manage an ad hoc network in the presence of autonomous selfish/malevolent/malicious and attacker nodes. The literature contains several theoretical proposals for augmenting game theory in the ad hoc networks without explicit/detailed implementation. This paper implements a game theory based solution in MATLAB-2015 to secure the CRN environment and compares the obtained results with the traditional approaches of trust and cryptography. The simulation result indicates that as the time progresses the game theory performs much better with higher throughput, lower jitter and better identification of selfish/malicious nodes.

  2. Evaluation of onset of nucleate boiling models

    Energy Technology Data Exchange (ETDEWEB)

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


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

  3. Analysis of reactor power oscillation based on nonlinear dynamic theory

    International Nuclear Information System (INIS)

    Suzudo, Tomoaki


    Reactor power oscillations are discussed based on nonlinear dynamic theory with reference to stability problem of boiling water reactors (BWRs). The reactor noise from an actual plant is, firstly, analyzed by a method originally used for the analysis of chaotic phenomenon. The results show that this method gives better dynamic descriptor of oscillatory motion than those from previous methods, and that it is applicable to real-time monitoring system of the reactor core. Next, the low-dimensional phenomenological model of BWR power oscillation is analytically studied using bifurcation theory, a branch of nonlinear dynamic theory. From this analysis are derived explicit expressions for the steady state's linear stability and weak stability not given by numerical analyses, and the qualitative properties of the power oscillation can be better understood. (author)

  4. An integrative, experience-based theory of attentional control. (United States)

    Wilder, Matthew H; Mozer, Michael C; Wickens, Christopher D


    Although diverse, theories of visual attention generally share the notion that attention is controlled by some combination of three distinct strategies: (1) exogenous cuing from locally contrasting primitive visual features, such as abrupt onsets or color singletons (e.g., L. Itti, C. Koch, & E. Neiber, 1998), (2) endogenous gain modulation of exogenous activations, used to guide attention to task-relevant features (e.g., V. Navalpakkam & L. Itti, 2007; J. Wolfe, 1994, 2007), and (3) endogenous prediction of likely locations of interest, based on task and scene gist (e.g., A. Torralba, A. Oliva, M. Castelhano, & J. Henderson, 2006). However, little work has been done to synthesize these disparate theories. In this work, we propose a unifying conceptualization in which attention is controlled along two dimensions: the degree of task focus and the contextual scale of operation. Previously proposed strategies-and their combinations-can be viewed as instances of this one mechanism. Thus, this theory serves not as a replacement for existing models but as a means of bringing them into a coherent framework. We present an implementation of this theory and demonstrate its applicability to a wide range of attentional phenomena. The model accounts for key results in visual search with synthetic images and makes reasonable predictions for human eye movements in search tasks involving real-world images. In addition, the theory offers an unusual perspective on attention that places a fundamental emphasis on the role of experience and task-related knowledge.

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

    Energy Technology Data Exchange (ETDEWEB)


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

  6. Theory-Based Stakeholder Evaluation – applied. Competing Stakeholder Theories in the Quality Management of Primary Education

    DEFF Research Database (Denmark)

    Hansen, Morten Balle; Heilesen, J. B.

    In the broader context of evaluation design, this paper examines and compares pros and cons of a theory-based approach to evaluation (TBE) with the Theory-Based Stakeholder evaluation (TSE) model, introduced by Morten Balle Hansen and Evert Vedung (Hansen and Vedung 2010). While most approaches...... to TBE construct one unitary theory of the program (Coryn et al. 2011), the TSE-model emphasizes the importance of keeping theories of diverse stakeholders apart. This paper applies the TSE-model to an evaluation study conducted by the Danish Evaluation Institute (EVA) of the Danish system of quality......-model, as an alternative to traditional program theory evaluation....

  7. Crystal nucleation of colloidal hard dumbbells. (United States)

    Ni, Ran; Dijkstra, Marjolein


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

  8. Effects of clustered nucleation on recrystallization

    DEFF Research Database (Denmark)

    Storm, Søren; Juul Jensen, Dorte


    Computer simulations are used to study effects of an experimentally determined 3D distribution of nucleation sites on the recrystallization kinetics and on the evolution of the recrystallized microstructure as compared to simulations with random nucleation. It is found that although...... the experimentally observed clustering is not very strong, it changes the kinetics and the recrystallized microstructural morphology plus leads to a recrystallized grain size distribution, which is significantly broadened compared to that of random nucleation simulations. (C) 2009 Published by Elsevier Ltd...

  9. Hamiltonian theories quantization based on a probability operator

    International Nuclear Information System (INIS)

    Entral'go, E.E.


    The quantization method with a linear reflection of classical coordinate-momentum-time functions Λ(q,p,t) at quantum operators in a space of quantum states ψ, is considered. The probability operator satisfies a system of equations representing the principles of dynamical and canonical correspondences between the classical and quantum theories. The quantization based on a probability operator leads to a quantum theory with a nonnegative joint coordinate-momentum distribution function for any state ψ. The main consequences of quantum mechanics with a probability operator are discussed in comparison with the generally accepted quantum and classical theories. It is shown that a probability operator leads to an appearance of some new notions called ''subquantum'' ones. Hence the quantum theory with a probability operator does not pretend to any complete description of physical reality in terms of classical variables and by this reason contains no problems like Einstein-Podolsky-Rosen paradox. The results of some concrete problems are given: a free particle, a harmonic oscillator, an electron in the Coulomb field. These results give hope on the possibility of an experimental verification of the quantization based on a probability operator

  10. Commitment-based action: Rational choice theory and contrapreferential choice

    Directory of Open Access Journals (Sweden)

    Radovanović Bojana


    Full Text Available This paper focuses on Sen’s concept of contrapreferential choice. Sen has developed this concept in order to overcome weaknesses of the rational choice theory. According to rational choice theory a decision-maker can be always seen as someone who maximises utility, and each choice he makes as the one that brings to him the highest level of personal wellbeing. Sen argues that in some situations we chose alternatives that bring us lower level of wellbeing than we could achieve if we had chosen some other alternative available to us. This happens when we base our decisions on moral principles, when we act out of duty. Sen calls such action a commitment-based action. When we act out of commitment we actually neglect our preferences and thus we make a contrapreferential choice, as Sen argues. This paper shows that, contrary to Sen, a commitment-based action can be explained within the framework of rational choice theory. However, when each choice we make can be explained within the framework of rational choice theory, when in everything we do maximisation principle can be loaded, then the variety of our motives and traits is lost, and the explanatory power of the rational choice theory is questionable. [Projekat Ministarstva nauke Republike Srbije, br. 47009: Evropske integracije i društveno-ekonomske promene privrede Srbije na putu ka EU i br. 179015: Izazovi i perspektive strukturnih promena u Srbiji: Strateški pravci ekonomskog razvoja i usklađivanje sa zahtevima EU

  11. A Rolling Element Bearing Fault Diagnosis Approach Based on Multifractal Theory and Gray Relation Theory.

    Directory of Open Access Journals (Sweden)

    Jingchao Li

    Full Text Available Bearing failure is one of the dominant causes of failure and breakdowns in rotating machinery, leading to huge economic loss. Aiming at the nonstationary and nonlinear characteristics of bearing vibration signals as well as the complexity of condition-indicating information distribution in the signals, a novel rolling element bearing fault diagnosis method based on multifractal theory and gray relation theory was proposed in the paper. Firstly, a generalized multifractal dimension algorithm was developed to extract the characteristic vectors of fault features from the bearing vibration signals, which can offer more meaningful and distinguishing information reflecting different bearing health status in comparison with conventional single fractal dimension. After feature extraction by multifractal dimensions, an adaptive gray relation algorithm was applied to implement an automated bearing fault pattern recognition. The experimental results show that the proposed method can identify various bearing fault types as well as severities effectively and accurately.

  12. A Rolling Element Bearing Fault Diagnosis Approach Based on Multifractal Theory and Gray Relation Theory. (United States)

    Li, Jingchao; Cao, Yunpeng; Ying, Yulong; Li, Shuying


    Bearing failure is one of the dominant causes of failure and breakdowns in rotating machinery, leading to huge economic loss. Aiming at the nonstationary and nonlinear characteristics of bearing vibration signals as well as the complexity of condition-indicating information distribution in the signals, a novel rolling element bearing fault diagnosis method based on multifractal theory and gray relation theory was proposed in the paper. Firstly, a generalized multifractal dimension algorithm was developed to extract the characteristic vectors of fault features from the bearing vibration signals, which can offer more meaningful and distinguishing information reflecting different bearing health status in comparison with conventional single fractal dimension. After feature extraction by multifractal dimensions, an adaptive gray relation algorithm was applied to implement an automated bearing fault pattern recognition. The experimental results show that the proposed method can identify various bearing fault types as well as severities effectively and accurately.

  13. Multispectral iris recognition based on group selection and game theory (United States)

    Ahmad, Foysal; Roy, Kaushik


    A commercially available iris recognition system uses only a narrow band of the near infrared spectrum (700-900 nm) while iris images captured in the wide range of 405 nm to 1550 nm offer potential benefits to enhance recognition performance of an iris biometric system. The novelty of this research is that a group selection algorithm based on coalition game theory is explored to select the best patch subsets. In this algorithm, patches are divided into several groups based on their maximum contribution in different groups. Shapley values are used to evaluate the contribution of patches in different groups. Results show that this group selection based iris recognition

  14. Managing for resilience: an information theory-based ... (United States)

    Ecosystems are complex and multivariate; hence, methods to assess the dynamics of ecosystems should have the capacity to evaluate multiple indicators simultaneously. Most research on identifying leading indicators of regime shifts has focused on univariate methods and simple models which have limited utility when evaluating real ecosystems, particularly because drivers are often unknown. We discuss some common univariate and multivariate approaches for detecting critical transitions in ecosystems and demonstrate their capabilities via case studies. Synthesis and applications. We illustrate the utility of an information theory-based index for assessing ecosystem dynamics. Trends in this index also provide a sentinel of both abrupt and gradual transitions in ecosystems. In response to the need to identify leading indicators of regime shifts in ecosystems, our research compares traditional indicators and Fisher information, an information theory based method, by examining four case study systems. Results demonstrate the utility of methods and offers great promise for quantifying and managing for resilience.

  15. Interpretting Information Based on Quantum Theory of Physics (Quantum Theory of Information)


    Mitra pashootanizadeh; Mortaza kokabi


    There are different theories on information as Shannon's Information or Communication Theory, Semantic Theory of Information, Cybernetics Theory, Quantum Theory of Information and Quantum Information Theory, each one viewing information from a different point. In this paper researchers used the foundamental concepts of quantum physics such as Wave/Particle duality, Complementarity, Uncertainty principle, Schrödinger's cat & so on to explain the nature of information and i...

  16. Dynamic prediction technology for gas based on data fusion theory

    Energy Technology Data Exchange (ETDEWEB)

    Shao, Liang-shan; Fu, Gui-xiang [Liaoning Technical University, Fuxin (China). Institute of System Engineering


    A new method was presented based on the fusion method, using Bayesian analysis and self-adapting weighted data to process information and fuse data. It used the Dempster-Shafer evidence theory to deal with the uncertainty produced in gas prediction. It comprehensively considered the gas concentration and other related parameters and realized the optimization and integration of gas measurement and predicted parameters. This method improves the accuracy of gas detection systems for coal mines. 15 refs., 1 fig., 1 tab.

  17. Laboratory measurements and model sensitivity studies of dust deposition ice nucleation

    Directory of Open Access Journals (Sweden)

    G. Kulkarni


    Full Text Available We investigated the ice nucleating properties of mineral dust particles to understand the sensitivity of simulated cloud properties to two different representations of contact angle in the Classical Nucleation Theory (CNT. These contact angle representations are based on two sets of laboratory deposition ice nucleation measurements: Arizona Test Dust (ATD particles of 100, 300 and 500 nm sizes were tested at three different temperatures (−25, −30 and −35 °C, and 400 nm ATD and kaolinite dust species were tested at two different temperatures (−30 and −35 °C. These measurements were used to derive the onset relative humidity with respect to ice (RHice required to activate 1% of dust particles as ice nuclei, from which the onset single contact angles were then calculated based on CNT. For the probability density function (PDF representation, parameters of the log-normal contact angle distribution were determined by fitting CNT-predicted activated fraction to the measurements at different RHice. Results show that onset single contact angles vary from ~18 to 24 degrees, while the PDF parameters are sensitive to the measurement conditions (i.e. temperature and dust size. Cloud modeling simulations were performed to understand the sensitivity of cloud properties (i.e. ice number concentration, ice water content, and cloud initiation times to the representation of contact angle and PDF distribution parameters. The model simulations show that cloud properties are sensitive to onset single contact angles and PDF distribution parameters. The comparison of our experimental results with other studies shows that under similar measurement conditions the onset single contact angles are consistent within ±2.0 degrees, while our derived PDF parameters have larger discrepancies.

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

    Czech Academy of Sciences Publication Activity Database

    Planková, Barbora; Vinš, Václav; Hrubý, Jan


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

  19. Heterogeneous nucleation in hypermonotectic aluminum alloys (United States)

    Köhler, M.; Ratke, L.; Kaban, I.; Hoyer, W.


    Simple casting experiments were set up to solve the question, if heterogeneous nucleation of the liquid-liquid decomposition in monotectic systems is possible. Al-Pb alloys with different inoculants were solidified, and the resulting microstructure was analysed by SEM and X-ray microtomography. Pronounced changes in the distribution of the lead precipitations indicate that it is possible to trigger the nucleation.

  20. Tuning Ice Nucleation with Supercharged Polypeptides

    NARCIS (Netherlands)

    Yang, Huige; Ma, Chao; Li, Kaiyong; Liu, Kai; Loznik, Mark; Teeuwen, Rosalie; van Hest, Jan C. M.; Zhou, Xin; Herrmann, Andreas; Wang, Jianjun


    Supercharged unfolded polypeptides (SUPs) are exploited for controlling ice nucleation via tuning the nature of charge and charge density of SUPs. The results show that positively charged SUPs facilitate ice nucleation, while negatively charged ones suppress it. Moreover, the charge density of the

  1. Crystal nucleation of colloidal hard dumbbells

    NARCIS (Netherlands)

    Ni, R.; Dijkstra, M.


    Using computer simulations, we investigate the homogeneous crystal nucleation in suspensions of colloidal hard dumbbells. The free energy barriers are determined by Monte Carlo simulations using the umbrella sampling technique. We calculate the nucleation rates for the plastic crystal and the

  2. Investigations on nucleation thermodynamical parameters of ...

    Indian Academy of Sciences (India)

    Investigations on nucleation thermodynamical parameters are very essential for the successful growth of good quality single crystals from high temperature solution. A theoretical estimation of the nucleation thermodynamical parameters like interfacial energy between the solid Nd123 and its flux BaO–CuO, metastable ...

  3. Fatigue crack nucleation in metallic materials

    Energy Technology Data Exchange (ETDEWEB)

    Peralta, P. [Arizona State Univ., Tempe, AZ (United States). Dept. of Mechanical and Aerospace Engineering; Laird, C. [Univ. of Pennsylvania, Philadelphia, PA (United States). Dept. of Materials Science and Engineering; Ramamurty, U. [Nanyang Technological Univ. (Singapore). School of Mechanical and Production Engineering; Suresh, S. [Massachusetts Inst. of Tech., Cambridge, MA (United States). Dept. of Materials Science and Engineering; Campbell, G.H.; King, W.E. [Lawrence Livermore National Lab., CA (United States); Mitchell, T.E. [Los Alamos National Lab., NM (United States). Center for Materials Science


    The process of fatigue crack nucleation in metallic materials is reviewed placing emphasis in results derived for pure FCC metals with wavy slip behavior. The relationship between Persistent Slip Bands (PSB`s) and crack initiation will be examined for both single crystals and polycrystals, including the conditions for inter- and transgranular crack nucleation and their connection to type of loading, crystallography and slip geometry. The latter has been found to be an important parameter in the nucleation of intergranular cracks in polycrystals subjected to high strain fatigue, whereby primary slip bands with long slip lengths impinging on a grain boundary produce intergranular crack nucleation under the right conditions. Recent results related to intergranular crack nucleation in copper bicrystals and crack nucleation in Cu/Sapphire interfaces indicate that this mechanism controls crack nucleation in those simpler systems as well. Furthermore, it is found that under multiple slip conditions the crack nucleation location is controlled by the presence of local single slip conditions and long slip lengths for a particular Burgers vector that does not have to be in the primary slip system.

  4. The Context of Knowledge in Organizations From Resource Based Theory to Knowledge Based Theory: a Conceptual Review


    Jambak, Muhammad Ihsan


    Nowadays, organizations in order to increase their competitive advantages, they put more focus on managing the intangible assets rather than the tangible assets including the intellectual capital. Since the value of intellectual capital is resided in the talented human capital, therefore the talent management is commonly used for human resource management. The root of talent management is came from the Resource Based Theory (RBT) that treats the human capital as static assets that only need t...

  5. Theory-based practice in a major medical centre. (United States)

    Alligood, Martha Raile


    This project was designed to improve care quality and nursing staff satisfaction. Nursing theory structures thought and action as demonstrated by evidence of improvement in complex health-care settings. Nursing administrators selected Modelling and Role-Modelling (MRM) for the theory-based practice goal in their strategic plan. An action research approach structured implementation of MRM in a 1-year consultation project in 2001-2002. Quality of health care improved according to national quality assessment ratings, as well as patient satisfaction and nurse satisfaction. Modelling and Role-Modelling demonstrated capacity to structure nursing thought and action in patient care in a major medical centre. Uniformity of patient care language was valued by nurses as well as by allied health providers who wished to learn the holistic MRM style of practice. The processes of MRM and action research contributed to project success. A positive health-care change project was carried out in a large medical centre with action research. Introducing MRM theory-based practice was a beneficial decision by nursing administration that improved care and nurse satisfaction. Attention to nursing practice stimulated career development among the nurses to pursue bachelors, masters, and doctoral degrees. © 2011 Blackwell Publishing Ltd.

  6. Principle-based concept analysis: intentionality in holistic nursing theories. (United States)

    Aghebati, Nahid; Mohammadi, Eesa; Ahmadi, Fazlollah; Noaparast, Khosrow Bagheri


    This is a report of a principle-based concept analysis of intentionality in holistic nursing theories. A principle-based concept analysis method was used to analyze seven holistic theories. The data included eight books and 31 articles (1998-2011), which were retrieved through MEDLINE and CINAHL. Erickson, Kriger, Parse, Watson, and Zahourek define intentionality as a capacity, a focused consciousness, and a pattern of human being. Rogers and Newman do not explicitly mention intentionality; however, they do explain pattern and consciousness (epistemology). Intentionality has been operationalized as a core concept of nurse-client relationships (pragmatic). The theories are consistent on intentionality as a noun and as an attribute of the person-intentionality is different from intent and intention (linguistic). There is ambiguity concerning the boundaries between intentionality and consciousness (logic). Theoretically, intentionality is an evolutionary capacity to integrate human awareness and experience. Because intentionality is an individualized concept, we introduced it as "a matrix of continuous known changes" that emerges in two forms: as a capacity of human being and as a capacity of transpersonal caring. This study has produced a theoretical definition of intentionality and provides a foundation for future research to further investigate intentionality to better delineate its boundaries. © The Author(s) 2014.

  7. Nucleation and growth of nanoscaled one-dimensional materials (United States)

    Cui, Hongtao

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

  8. An intelligent diagnosis model based on rough set theory (United States)

    Li, Ze; Huang, Hong-Xing; Zheng, Ye-Lu; Wang, Zhou-Yuan


    Along with the popularity of computer and rapid development of information technology, how to increase the accuracy of the agricultural diagnosis becomes a difficult problem of popularizing the agricultural expert system. Analyzing existing research, baseing on the knowledge acquisition technology of rough set theory, towards great sample data, we put forward a intelligent diagnosis model. Extract rough set decision table from the samples property, use decision table to categorize the inference relation, acquire property rules related to inference diagnosis, through the means of rough set knowledge reasoning algorithm to realize intelligent diagnosis. Finally, we validate this diagnosis model by experiments. Introduce the rough set theory to provide the agricultural expert system of great sample data a effective diagnosis model.

  9. Quantum game theory based on the Schmidt decomposition

    International Nuclear Information System (INIS)

    Ichikawa, Tsubasa; Tsutsui, Izumi; Cheon, Taksu


    We present a novel formulation of quantum game theory based on the Schmidt decomposition, which has the merit that the entanglement of quantum strategies is manifestly quantified. We apply this formulation to 2-player, 2-strategy symmetric games and obtain a complete set of quantum Nash equilibria. Apart from those available with the maximal entanglement, these quantum Nash equilibria are extensions of the Nash equilibria in classical game theory. The phase structure of the equilibria is determined for all values of entanglement, and thereby the possibility of resolving the dilemmas by entanglement in the game of Chicken, the Battle of the Sexes, the Prisoners' Dilemma, and the Stag Hunt, is examined. We find that entanglement transforms these dilemmas with each other but cannot resolve them, except in the Stag Hunt game where the dilemma can be alleviated to a certain degree

  10. Quantum game theory based on the Schmidt decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Ichikawa, Tsubasa; Tsutsui, Izumi [Institute of Particle and Nuclear Studies, High Energy Accelerator Research Organization (KEK), Tsukuba 305-0801 (Japan); Cheon, Taksu [Laboratory of Physics, Kochi University of Technology, Tosa Yamada, Kochi 782-8502 (Japan)], E-mail:, E-mail:, E-mail:


    We present a novel formulation of quantum game theory based on the Schmidt decomposition, which has the merit that the entanglement of quantum strategies is manifestly quantified. We apply this formulation to 2-player, 2-strategy symmetric games and obtain a complete set of quantum Nash equilibria. Apart from those available with the maximal entanglement, these quantum Nash equilibria are extensions of the Nash equilibria in classical game theory. The phase structure of the equilibria is determined for all values of entanglement, and thereby the possibility of resolving the dilemmas by entanglement in the game of Chicken, the Battle of the Sexes, the Prisoners' Dilemma, and the Stag Hunt, is examined. We find that entanglement transforms these dilemmas with each other but cannot resolve them, except in the Stag Hunt game where the dilemma can be alleviated to a certain degree.

  11. Competitive heterogeneous nucleation onto a microscopic impurity in a Potts model (United States)

    Asuquo, Cletus C.; McArthur, Danielle; Bowles, Richard K.


    Many metastable systems can nucleate to multiple competing stable or intermediate metastable states. In this work, a Potts model, subject to external fields, is used to study the competitive nucleation of two phases attempting to grow on a microscopic impurity. Monte Carlo simulations are used to calculate the free energy surfaces for the system under different conditions, where the relative stability of the phases is adjusted by changing the interaction parameters, and the nucleation rates obtained using multicomponent transition state theory (TST) are compared with the rates measured using the survival probability method. We find that the two methods predict similar nucleation rates when the free energy barrier used in the transition state theory is defined as the work required to form a critical embryo from the metastable phase. An analysis of the free energy surfaces also reveals that the competition between the nucleating phases leads to an effective drying of the impurity which slows down the nucleation rate compared to the single phase case.

  12. Determination of the strain generated in InAs/InP quantum wires: prediction of nucleation sites

    International Nuclear Information System (INIS)

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


    The compositional distribution in a self-assembled InAs(P) quantum wire grown by molecular beam epitaxy on an InP(001) substrate has been determined by electron energy loss spectrum imaging. We have determined the strain and stress fields generated in and around this wire capped with a 5 nm InP layer by finite element calculations using as input the compositional map experimentally obtained. Preferential sites for nucleation of wires grown on the surface of this InP capping layer are predicted, based on chemical potential minimization, from the determined strain and stress fields on this surface. The determined preferential sites for wire nucleation agree with their experimentally measured locations. The method used in this paper, which combines electron energy loss spectroscopy, high-resolution Z contrast imaging, and elastic theory finite element calculations, is believed to be a valuable technique of wide applicability for predicting the preferential nucleation sites of epitaxial self-assembled nano-objects

  13. Determination of the strain generated in InAs/InP quantum wires: prediction of nucleation sites

    Energy Technology Data Exchange (ETDEWEB)

    Molina, S I [Departamento de Ciencia de los Materiales e I.M. y Q.I., Facultad de Ciencias, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Ben, T [Departamento de Ciencia de los Materiales e I.M. y Q.I., Facultad de Ciencias, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Sales, D L [Departamento de Ciencia de los Materiales e I.M. y Q.I., Facultad de Ciencias, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Pizarro, J [Departamento de Lenguajes y Sistemas Informaticos, CASEM, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Galindo, P L [Departamento de Lenguajes y Sistemas Informaticos, CASEM, Universidad de Cadiz, Campus RIo San Pedro, s/n, 11510 Puerto Real, Cadiz (Spain); Varela, M [Condensed Matter Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Pennycook, S J [Condensed Matter Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Fuster, D [Instituto de Microelectronica de Madrid (CNM, CSIC), Isaac Newton 8, 28760 Tres Cantos, Madrid (Spain); Gonzalez, Y [Instituto de Microelectronica de Madrid (CNM, CSIC), Isaac Newton 8, 28760 Tres Cantos, Madrid (Spain); Gonzalez, L [Instituto de Microelectronica de Madrid (CNM, CSIC), Isaac Newton 8, 28760 Tres Cantos, Madrid (Spain)


    The compositional distribution in a self-assembled InAs(P) quantum wire grown by molecular beam epitaxy on an InP(001) substrate has been determined by electron energy loss spectrum imaging. We have determined the strain and stress fields generated in and around this wire capped with a 5 nm InP layer by finite element calculations using as input the compositional map experimentally obtained. Preferential sites for nucleation of wires grown on the surface of this InP capping layer are predicted, based on chemical potential minimization, from the determined strain and stress fields on this surface. The determined preferential sites for wire nucleation agree with their experimentally measured locations. The method used in this paper, which combines electron energy loss spectroscopy, high-resolution Z contrast imaging, and elastic theory finite element calculations, is believed to be a valuable technique of wide applicability for predicting the preferential nucleation sites of epitaxial self-assembled nano-objects.

  14. Statistical simulation of small fatigue crack nucleation and coalescence in a lamellar TiAl alloy (United States)

    Chan, Kwais; Wittkowsky, Bettina; Pfuff, Michael


    This article examines the possibility of fatigue failure as the result of fatigue crack nucleation and coalescence at stress ranges below the fatigue limit and the large crack threshold where fatigue cracks are expected not to grow. By representing the material as a two-dimensional array of beam elements, the nucleation of nonpropagating small cracks at various material locations is modeled via a statistical approach that considers fatigue crack nucleation by accumulation of damage at randomly distributed weak regions. Once nucleated, the fatigue cracks do not propagate but extend only by linking with fatigue cracks subsequently formed in the contiguous elements. Result of the computer simulation suggests that fatigue failure by crack nucleation and coalescence is feasible, but the cycles-to-coalescence is much longer than the cycles-to-initiation for the first crack. Implications of the results in fatigue life assessment based on the Kitagawa diagram are discussed for TiAl alloys.

  15. Enhancement of the droplet nucleation in a dense supersaturated Lennard-Jones vapor

    Energy Technology Data Exchange (ETDEWEB)

    Zhukhovitskii, D. I., E-mail: [Joint Institute of High Temperatures, Russian Academy of Sciences, Izhorskaya 13, Bd. 2, 125412 Moscow (Russian Federation)


    The vapor–liquid nucleation in a dense Lennard-Jones system is studied analytically and numerically. A solution of the nucleation kinetic equations, which includes the elementary processes of condensation/evaporation involving the lightest clusters, is obtained, and the nucleation rate is calculated. Based on the equation of state for the cluster vapor, the pre-exponential factor is obtained. The latter diverges as a spinodal is reached, which results in the nucleation enhancement. The work of critical cluster formation is calculated using the previously developed two-parameter model (TPM) of small clusters. A simple expression for the nucleation rate is deduced and it is shown that the work of cluster formation is reduced for a dense vapor. This results in the nucleation enhancement as well. To verify the TPM, a simulation is performed that mimics a steady-state nucleation experiments in the thermal diffusion cloud chamber. The nucleating vapor with and without a carrier gas is simulated using two different thermostats for the monomers and clusters. The TPM proves to match the simulation results of this work and of other studies.

  16. Nucleation kinetics of ɛ-caprolactam melts in the presence of water impurity (United States)

    Bouropoulos, Nicolaos Ch.; Kontoyannis, Christos G.; Koutsoukos, Petros G.


    The nucleation of ɛ-caprolactam in melts containing water impurities between 3% and 7% w/w was investigated in a batch reactor monitoring melt temperature. The induction times preceding the formation of ɛ-caprolactam nuclei were inversely proportional to the melt supersaturation and a threshold in the supersaturation of about 6% was found for homogenous nucleation. The interfacial tensions calculated using the classical nucleation theory ranged between 0.8 and 1.5 mJ m -2 for water content of 3%-7%, respectively. The concomitant increase of the size of the critical nucleus suggested that water inhibits the process of nucleation of ɛ-caprolactam in melts containing water impurity. This conclusion was further confirmed for the rates of crystal growth of the ɛ-caprolactam in the melts measured from the rates of temperature increase with time.

  17. Nucleation in the presence of long-range interactions. [performed on ferroelectric barium titanate (United States)

    Chandra, P.


    Unlike droplet nucleation near a liquid-gas critical point, the decay of metastable phases in crystalline materials is strongly affected by the presence of long-range forces. Field quench experiments performed on the ferroelectric barium titanate indicate that nucleation in this material is markedly different from that observed in liquids. In this paper, a theory for nucleation at a first-order phase transition in which the mediating forces are long range is presented. It is found that the long-range force induces cooperative nucleation and growth processes, and that this feedback mechanism produces a well-defined delay time with a sharp onset in the transformation to the stable phase. Closed-form expressions for the characteristic onset time and width of the transition are developed, in good agreement with numerical and experimental results.

  18. Droplet nucleation on a well-defined hydrophilic-hydrophobic surface of 10 nm order resolution. (United States)

    Yamada, Yutaka; Ikuta, Tatsuya; Nishiyama, Takashi; Takahashi, Koji; Takata, Yasuyuki


    Water condensation on a hybrid hydrophilic-hydrophobic surface was investigated to reveal nucleation mechanisms at the microscale. Focused ion beam (FIB) irradiation was used to change the wettability of the hydrophobic surface with 10 nm order spatial resolution. Condensation experiments were conducted using environmental scanning electron microscopy; droplets, with a minimum diameter of 800 nm, lined up on the FIB-irradiated hydrophilic lines. The heterogeneous nucleation theory was extended to consider the water molecules attracted to the hydrophilic area, thereby enabling explanation of the nucleation mechanism under unsaturated conditions. Our results showed that the effective surface coverage of the water molecules on the hydrophilic region was 0.1-1.1 at 0.0 °C and 560 Pa and was dependent on the width of the FIB-irradiated hydrophilic lines and hydrophobic area. The droplet nucleation mechanism unveiled in this work would enable the design of new surfaces with enhanced dropwise condensation heat transfer.

  19. Nucleation study for an undercooled melt of intermetallic NiZr (United States)

    Kobold, R.; Kolbe, M.; Hornfeck, W.; Herlach, D. M.


    Electrostatic levitation is applied in order to undercool liquid glass forming NiZr significantly below its melting temperature. For NiZr large undercoolings are found to be highly reproducible with this experimental method. One single NiZr sample of high purity is undercooled 200 consecutive times which leads to a distribution function of undercooling temperatures. Within a statistical approach of classical nucleation theory, the undercooling distribution is analyzed yielding parameters, e.g., a pre-exponential factor of KV ≈ 1035 m-3 s-1, which indicates homogeneous nucleation. This result is consistent with the crystallization behavior of NiZr at high undercooling and with the corresponding microstructural analysis. Since NiZr is a representative of the very common CrB structure type, with 132 isostructural phases existing, understanding its nucleation behavior adds important knowledge to the nucleation of binary alloys in general.

  20. Saturation and nucleation in hot nuclear systems

    International Nuclear Information System (INIS)

    Deangelis, A.R.


    We investigate nuclear fragmentation in a supersaturated system using classical nucleation theory. This allows us to go outside the normally applied constraint of chemical equilibrium. The system is governed by a virial equation of state, which we use to find an expression for the density as a function of pressure and temperature. The evolution of the system is discussed in terms of the phase diagram. Corrections are included to account for the droplet surface and all charges contained in the system. Using this model we investigate and discuss the effects of temperature and saturation, and compare the results to those of other models of fragmentation. We also discuss the limiting temperatures of the system for the cases with and without chemical equilibrium. We find that large nuclei will be formed in saturated systems, even above the limiting temperature as previously defined. We also find that saturation and temperature dominate surface and Coulomb effects. The effects are quite large, thus even a qualitative inspection of the yields may give an indication of the conditions during fragmentation

  1. [Development and application of component-based Chinese medicine theory]. (United States)

    Zhang, Jun-Hua; Fan, Guan-Wei; Zhang, Han; Fan, Xiao-Hui; Wang, Yi; Liu, Li-Mei; Li, Chuan; Gao, Yue; Gao, Xiu-Mei; Zhang, Bo-Li


    Traditional Chinese medicine (TCM) prescription is the main therapies for disease prevention and treatment in Chinese medicine. Following the guidance of the theory of TCM and developing drug by composing prescriptions of TCM materials and pieces, it is a traditional application mode of TCM, and still widely used in clinic. TCM prescription has theoretical advantages and rich clinical application experience in dealing with multi-factor complex diseases, but scientific research is relatively weak. The lack of scientific cognition of the effective substances and mechanism of Chinese medicine leads to insufficient understanding of the efficacy regularity, which affects the stability of effect and hinders the improvement of quality of Chinese medicinal products. Component-based Chinese medicine (CCM) is an innovation based on inheritance, which breaks through the tradition of experience-based prescription and realize the transformation of compatibility from herbal pieces to components. CCM is an important achievement during the research process of modernization of Chinese medicine. Under the support of three national "973" projects, in order to reveal the scientific connotation of the prescription compatibility theory and develop innovative Chinese drugs, we have launched theoretical innovation and technological innovation around the "two relatively clear", and opened up the research field of CCM. CCM is an innovation based on inheritance, breaking through the tradition of experience based prescription, and realizing the transformation from compatibility of herbal pieces to component compatibility, which is an important achievement of the modernization of traditional Chinese medicine. In the past more than 10 years, with the deepening of research and the expansion of application, the theory and methods of CCM and efficacy-oriented compatibility have been continuously improved. The value of CCM is not only in developing new drug, more important is to build a

  2. Forewarning model for water pollution risk based on Bayes theory. (United States)

    Zhao, Jun; Jin, Juliang; Guo, Qizhong; Chen, Yaqian; Lu, Mengxiong; Tinoco, Luis


    In order to reduce the losses by water pollution, forewarning model for water pollution risk based on Bayes theory was studied. This model is built upon risk indexes in complex systems, proceeding from the whole structure and its components. In this study, the principal components analysis is used to screen out index systems. Hydrological model is employed to simulate index value according to the prediction principle. Bayes theory is adopted to obtain posterior distribution by prior distribution with sample information which can make samples' features preferably reflect and represent the totals to some extent. Forewarning level is judged on the maximum probability rule, and then local conditions for proposing management strategies that will have the effect of transforming heavy warnings to a lesser degree. This study takes Taihu Basin as an example. After forewarning model application and vertification for water pollution risk from 2000 to 2009 between the actual and simulated data, forewarning level in 2010 is given as a severe warning, which is well coincide with logistic curve. It is shown that the model is rigorous in theory with flexible method, reasonable in result with simple structure, and it has strong logic superiority and regional adaptability, providing a new way for warning water pollution risk.

  3. Kinetic nucleation and ions in boreal forest particle formation events

    Directory of Open Access Journals (Sweden)

    L. Laakso


    Full Text Available In order to gain a more comprehensive picture on different mechanisms behind atmospheric particle formation, measurement results from QUEST 2-campaign are analyzed with an aid of an aerosol dynamic model. A special emphasis is laid on air ion and charged aerosol dynamics. Model simulations indicate that kinetic nucleation of ammonia and sulphuric acid together with condensation of sulphuric acid and low-volatile organic vapours onto clusters and particles explain basic features of particle formation events as well as ion characteristics. However, an observed excess of negative ions in the diameter range 1.5-3nm and overcharge of 3-5nm particles demonstrate that ions are also involved in particle formation. These observations can be explained by preferential condensation of sulphuric acid onto negatively charged clusters and particles and/or contribution of ion-induced nucleation on particle formation. According to model simulations, which assume that the nucleation rate is equal to the sulfuric acid collision rate, the relative contribution of ion-based particle formation seems to be smaller than kinetic nucleation of neutral clusters. Conducted model simulations also corroborate the recently-presented hypothesis according to which a large number of so-called thermodynamically stable clusters (TSCs having a diameter between 1-3nm exist in the atmosphere. TSCs were found to grow to observable sizes only under favorable conditions, e.g. when the pre-existing particle concentration was low.

  4. Multi-Robot Searching using Game-Theory Based Approach

    Directory of Open Access Journals (Sweden)

    Yan Meng


    Full Text Available This paper proposes a game-theory based approach in a multi–target searching using a multi-robot system in a dynamic environment. It is assumed that a rough priori probability map of the targets' distribution within the environment is given. To consider the interaction between the robots, a dynamic-programming equation is proposed to estimate the utility function for each robot. Based on this utility function, a cooperative nonzero-sum game is generated, where both pure Nash Equilibrium and mixed-strategy Equilibrium solutions are presented to achieve an optimal overall robot behaviors. A special consideration has been taken to improve the real-time performance of the game-theory based approach. Several mechanisms, such as event-driven discretization, one-step dynamic programming, and decision buffer, have been proposed to reduce the computational complexity. The main advantage of the algorithm lies in its real-time capabilities whilst being efficient and robust to dynamic environments.

  5. Game Theory and Risk-Based Levee System Design (United States)

    Hui, R.; Lund, J. R.; Madani, K.


    Risk-based analysis has been developed for optimal levee design for economic efficiency. Along many rivers, two levees on opposite riverbanks act as a simple levee system. Being rational and self-interested, land owners on each river bank would tend to independently optimize their levees with risk-based analysis, resulting in a Pareto-inefficient levee system design from the social planner's perspective. Game theory is applied in this study to analyze decision making process in a simple levee system in which the land owners on each river bank develop their design strategies using risk-based economic optimization. For each land owner, the annual expected total cost includes expected annual damage cost and annualized construction cost. The non-cooperative Nash equilibrium is identified and compared to the social planner's optimal distribution of flood risk and damage cost throughout the system which results in the minimum total flood cost for the system. The social planner's optimal solution is not feasible without appropriate level of compensation for the transferred flood risk to guarantee and improve conditions for all parties. Therefore, cooperative game theory is then employed to develop an economically optimal design that can be implemented in practice. By examining the game in the reversible and irreversible decision making modes, the cost of decision making myopia is calculated to underline the significance of considering the externalities and evolution path of dynamic water resource problems for optimal decision making.

  6. Transportation optimization with fuzzy trapezoidal numbers based on possibility theory. (United States)

    He, Dayi; Li, Ran; Huang, Qi; Lei, Ping


    In this paper, a parametric method is introduced to solve fuzzy transportation problem. Considering that parameters of transportation problem have uncertainties, this paper develops a generalized fuzzy transportation problem with fuzzy supply, demand and cost. For simplicity, these parameters are assumed to be fuzzy trapezoidal numbers. Based on possibility theory and consistent with decision-makers' subjectiveness and practical requirements, the fuzzy transportation problem is transformed to a crisp linear transportation problem by defuzzifying fuzzy constraints and objectives with application of fractile and modality approach. Finally, a numerical example is provided to exemplify the application of fuzzy transportation programming and to verify the validity of the proposed methods.

  7. Design of structurally colored surfaces based on scalar diffraction theory

    DEFF Research Database (Denmark)

    Johansen, Villads Egede; Andkjær, Jacob Anders; Sigmund, Ole


    In this paper we investigate the possibility of controlling the color and appearance of surfaces simply by modifying the height profile of the surface on a nanoscale level. The applications for such methods are numerous: new design possibilities for high-end products, color engraving on any highly...... reflective surface, paint-free text and coloration, UV-resistant coloring, etc. In this initial study, the main focus is on finding a systematic way to obtain these results. For now the simulation and optimization is based on a simple scalar diffraction theory model. From the results, several design issues...

  8. Application of the heuristically based GPT theory to termohydraulic problems

    International Nuclear Information System (INIS)

    Alvim, A.C.M.


    Application of heuristically based generalized perturbation theory (GPT) to the thermohydraulic (generally nonlinear) field is here illustrated. After a short description of the general methodology, the (linear) equations governing the importance function relevant to a generic multichannel problem are derived, within the physical model adopted in the COBRA IV-I Code. These equations are put in a form which should benefit of the calculational scheme of the original COBRA Code in the sense that only minor changes of it (mostly implying physical constants and source terms redefinitions) should be necessary for their solutions. (author) [pt

  9. Urediospores of rust fungi are ice nucleation active at > -10 °C and harbor ice nucleation active bacteria (United States)

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


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

  10. Damage nucleation in Si during ion irradiation

    International Nuclear Information System (INIS)

    Holland, O.W.; Fathy, D.; Narayan, J.


    Damage nucleation in single crystals of silicon during ion irradiation is investigated. Experimental results and mechanisms for damage nucleation during both room and liquid nitrogen temperature irradiation with different mass ions are discussed. It is shown that the accumulation of damage during room temperature irradiation depends on the rate of implantation. These dose rate effects are found to decrease in magnitude as the mass of the ions is increased. The significance of dose rate effects and their mass dependence on nucleation mechanisms is discussed

  11. Power System Transient Stability Based on Data Mining Theory (United States)

    Cui, Zhen; Shi, Jia; Wu, Runsheng; Lu, Dan; Cui, Mingde


    In order to study the stability of power system, a power system transient stability based on data mining theory is designed. By introducing association rules analysis in data mining theory, an association classification method for transient stability assessment is presented. A mathematical model of transient stability assessment based on data mining technology is established. Meanwhile, combining rule reasoning with classification prediction, the method of association classification is proposed to perform transient stability assessment. The transient stability index is used to identify the samples that cannot be correctly classified in association classification. Then, according to the critical stability of each sample, the time domain simulation method is used to determine the state, so as to ensure the accuracy of the final results. The results show that this stability assessment system can improve the speed of operation under the premise that the analysis result is completely correct, and the improved algorithm can find out the inherent relation between the change of power system operation mode and the change of transient stability degree.

  12. Fusion Segmentation Method Based on Fuzzy Theory for Color Images (United States)

    Zhao, J.; Huang, G.; Zhang, J.


    The image segmentation method based on two-dimensional histogram segments the image according to the thresholds of the intensity of the target pixel and the average intensity of its neighborhood. This method is essentially a hard-decision method. Due to the uncertainties when labeling the pixels around the threshold, the hard-decision method can easily get the wrong segmentation result. Therefore, a fusion segmentation method based on fuzzy theory is proposed in this paper. We use membership function to model the uncertainties on each color channel of the color image. Then, we segment the color image according to the fuzzy reasoning. The experiment results show that our proposed method can get better segmentation results both on the natural scene images and optical remote sensing images compared with the traditional thresholding method. The fusion method in this paper can provide new ideas for the information extraction of optical remote sensing images and polarization SAR images.

  13. Feature Selection with Neighborhood Entropy-Based Cooperative Game Theory

    Directory of Open Access Journals (Sweden)

    Kai Zeng


    Full Text Available Feature selection plays an important role in machine learning and data mining. In recent years, various feature measurements have been proposed to select significant features from high-dimensional datasets. However, most traditional feature selection methods will ignore some features which have strong classification ability as a group but are weak as individuals. To deal with this problem, we redefine the redundancy, interdependence, and independence of features by using neighborhood entropy. Then the neighborhood entropy-based feature contribution is proposed under the framework of cooperative game. The evaluative criteria of features can be formalized as the product of contribution and other classical feature measures. Finally, the proposed method is tested on several UCI datasets. The results show that neighborhood entropy-based cooperative game theory model (NECGT yield better performance than classical ones.

  14. Inventory control based on advanced probability theory, an application

    CERN Document Server

    Krever, Maarten; Schorr, Bernd; Wunderink, S


    Whenever stock is placed as a buffer between consumption and supply the decision when to replenish the stock is based on uncertain values of future demand and supply variables. Uncertainty exists about the replenishment lead time, about the number of demands and the quantities demanded during this period. We develop a new analytical expression for the reorder point, which is based on the desired service level and three distributions: the distribution of the quantity of single demands during lead time, the distribution of the lengths of time intervals between successive demands, and the distribution of the lead time itself. The distribution of lead time demand is derived from the distributions of individual demand quantities and not from the demand per period. It is not surprising that the resulting formulae for the mean and variance are different from those currently used. The theory developed is also applicable to periodic review systems. The system has been implemented at CERN and enables a significant enha...

  15. Analysis of Foundations of Resource-Based Theory

    Directory of Open Access Journals (Sweden)

    António José Pinto Pedrosa


    Full Text Available The assumptions of the resource-based theory (RBV are often tested using an approach centered on the heterogeneity of resources, allowing only identify specific resources or capabilities that should be exploited to achieve competitive advantage. In this paper we use a conceptual approach seeking to test whether value, rare and inimitable combinations of resources and capabilities, rather than their specificity, achieve competitive advantage and performance. The results obtained from 368 questionnaires validated by business managers of several Portuguese economic sectors show that the increase in value, rarity and inimitability of the combinations tested, raises the company's competitive advantage, and that performance is achieved by this route. The findings are of interest for the development of the field of strategic management and for managers enabling strategic decision-making based on valuable, rare and inimitable company`s resources and capabilities combinations.

  16. Investigating the Learning-Theory Foundations of Game-Based Learning: A Meta-Analysis (United States)

    Wu, W-H.; Hsiao, H-C.; Wu, P-L.; Lin, C-H.; Huang, S-H.


    Past studies on the issue of learning-theory foundations in game-based learning stressed the importance of establishing learning-theory foundation and provided an exploratory examination of established learning theories. However, we found research seldom addressed the development of the use or failure to use learning-theory foundations and…

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

    Energy Technology Data Exchange (ETDEWEB)

    Feiden, P


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

  18. Thermodynamic formulation of the barrier for heterogeneous pinned nucleation: Implication to the crossover scenarios associated with barrierless and homogeneous nucleation. (United States)

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


    The effect of contact line pinning on nucleation is reported using continuum thermodynamics. Based on the principle of the free-energy maximization, closed-form expressions in the dimensionless form for the free-energy of the three-phase metastable system and the thermodynamic barrier are formulated with respect to the system geometry and the substrate wettability. The condition of maximality limits the dynamic contact angle within the cluster-phase-phobic regime. The dimensionless nucleation barrier or the potency factor can be divided into two components related to the system geometry and the pinning effect. Depending on the relative value of the equilibrium and the critical dynamic contact angle, the contact line pinning can either have favorable or adverse effects. Associated pinning-depinning transition can also lead to the crossovers related to barrierless and homogeneous nucleation. Contact line tension is found to have a considerable effect during these transitional scenarios. Complete wetting transition associated with barrierless nucleation can take place due to the presence of tensile (negative) line tension. On the other hand, complete drying transition related to homogeneous nucleation can occur when line tension is compressive (positive) in nature. The pinning has a favorable effect only when the substrate wettability is within the cluster-phase-philic regime. There can be favorable, adverse, or no pinning effects when the substrate wettability is within the cluster-phase-phobic regime. Although the contact line is pinned, the minimum value of the potency factor is obtained when equilibrium and dynamic contact angles are equal.

  19. Parameterizing ice nucleation rates using contact angle and activation energy derived from laboratory data

    Directory of Open Access Journals (Sweden)

    J.-P. Chen


    Full Text Available The rate of ice nucleation in clouds is not easily determined and large discrepancies exist between model predictions and actual ice crystal concentration measured in clouds. In an effort to improve the parameterization of ice nucleating in cloud models, we investigate the rate of heterogeneous ice nucleation under specific ambient conditions by knowing the sizes as well as two thermodynamic parameters of the ice nuclei – contact angle and activation energy. Laboratory data of freezing and deposition nucleation modes were analyzed to derive inversely the two thermodynamic parameters for a variety of ice nuclei, including mineral dusts, bacteria, pollens, and soot particles. The analysis considered the Zeldovich factor for the adjustment of ice germ formation, as well as the solute and curvature effects on surface tension; the latter effects have strong influence on the contact angle. Contact angle turns out to be a more important factor than the activation energy in discriminating the nucleation capabilities of various ice nuclei species. By extracting these thermodynamic parameters, laboratory results can be converted into a formulation that follows classical nucleation theory, which then has the flexibility of incorporating factors such as the solute effect and curvature effect that were not considered in the experiments. Due to various uncertainties, contact angle and activation energy derived in this study should be regarded as "apparent" thermodynamics parameters.

  20. Interfacial energies for heterogeneous nucleation of calcium carbonate on mica and quartz. (United States)

    Li, Qingyun; Fernandez-Martinez, Alejandro; Lee, Byeongdu; Waychunas, Glenn A; Jun, Young-Shin


    Interfacial free energies often control heterogeneous nucleation of calcium carbonate (CaCO3) on mineral surfaces. Here we report an in situ experimental study of CaCO3 nucleation on mica (muscovite) and quartz, which allows us to obtain the interfacial energies governing heterogeneous nucleation. In situ grazing incidence small-angle X-ray scattering (GISAXS) was used to measure nucleation rates at different supersaturations. The rates were incorporated into classical nucleation theory to calculate the effective interfacial energies (α'). Ex situ Raman spectroscopy identified both calcite and vaterite as CaCO3 polymorphs; however, vaterite is the most probable heterogeneous nuclei mineral phase. The α' was 24 mJ/m(2) for the vaterite-mica system and 32 mJ/m(2) for the vaterite-quartz system. The smaller α' of the CaCO3-mica system led to smaller particles and often higher particle densities on mica. A contributing factor affecting α' in our system was the smaller structural mismatch between CaCO3 and mica compared to that between CaCO3 and quartz. The extent of hydrophilicity and the surface charge could not explain the observed CaCO3 nucleation trend on mica and quartz. The findings of this study provide new thermodynamic parameters for subsurface reactive transport modeling and contribute to our understanding of mechanisms where CaCO3 formation on surfaces is of concern.

  1. Nucleation versus instability race in strained films (United States)

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


    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.

  2. New mechanism for bubble nucleation: Classical transitions

    International Nuclear Information System (INIS)

    Easther, Richard; Giblin, John T. Jr; Hui Lam; Lim, Eugene A.


    Given a scalar field with metastable minima, bubbles nucleate quantum mechanically. When bubbles collide, energy stored in the bubble walls is converted into kinetic energy of the field. This kinetic energy can facilitate the classical nucleation of new bubbles in minima that lie below those of the 'parent' bubbles. This process is efficient and classical, and changes the dynamics and statistics of bubble formation in models with multiple vacua, relative to that derived from quantum tunneling.

  3. Qigong in Cancer Care: Theory, Evidence-Base, and Practice. (United States)

    Klein, Penelope


    Background: The purpose of this discussion is to explore the theory, evidence base, and practice of Qigong for individuals with cancer. Questions addressed are: What is qigong? How does it work? What evidence exists supporting its practice in integrative oncology? What barriers to wide-spread programming access exist? Methods: Sources for this discussion include a review of scholarly texts, the Internet, PubMed, field observations, and expert opinion. Results: Qigong is a gentle, mind/body exercise integral within Chinese medicine. Theoretical foundations include Chinese medicine energy theory, psychoneuroimmunology, the relaxation response, the meditation effect, and epigenetics. Research supports positive effects on quality of life (QOL), fatigue, immune function and cortisol levels, and cognition for individuals with cancer. There is indirect, scientific evidence suggesting that qigong practice may positively influence cancer prevention and survival. No one Qigong exercise regimen has been established as superior. Effective protocols do have common elements: slow mindful exercise, easy to learn, breath regulation, meditation, emphasis on relaxation, and energy cultivation including mental intent and self-massage. Conclusions : Regular practice of Qigong exercise therapy has the potential to improve cancer-related QOL and is indirectly linked to cancer prevention and survival. Wide-spread access to quality Qigong in cancer care programming may be challenged by the availability of existing programming and work force capacity.

  4. Qigong in Cancer Care: Theory, Evidence-Base, and Practice

    Directory of Open Access Journals (Sweden)

    Penelope Klein


    Full Text Available Background: The purpose of this discussion is to explore the theory, evidence base, and practice of Qigong for individuals with cancer. Questions addressed are: What is qigong? How does it work? What evidence exists supporting its practice in integrative oncology? What barriers to wide-spread programming access exist? Methods: Sources for this discussion include a review of scholarly texts, the Internet, PubMed, field observations, and expert opinion. Results: Qigong is a gentle, mind/body exercise integral within Chinese medicine. Theoretical foundations include Chinese medicine energy theory, psychoneuroimmunology, the relaxation response, the meditation effect, and epigenetics. Research supports positive effects on quality of life (QOL, fatigue, immune function and cortisol levels, and cognition for individuals with cancer. There is indirect, scientific evidence suggesting that qigong practice may positively influence cancer prevention and survival. No one Qigong exercise regimen has been established as superior. Effective protocols do have common elements: slow mindful exercise, easy to learn, breath regulation, meditation, emphasis on relaxation, and energy cultivation including mental intent and self-massage. Conclusions: Regular practice of Qigong exercise therapy has the potential to improve cancer-related QOL and is indirectly linked to cancer prevention and survival. Wide-spread access to quality Qigong in cancer care programming may be challenged by the availability of existing programming and work force capacity.

  5. Fluorescence Studies of Lysozyme Nucleation (United States)

    Pusey, Marc L.; Smith, Lori


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

  6. Towards a Theory-Based Framework for Assessing the ...

    African Journals Online (AJOL)

    institutional context. To capture this complexity, a combined set of different lenses is required. The theoretical framework developed for this paper comprises three conceptual lenses: a theory of change (TOC), a theory of education for sustainable human development (TESHD) and a theory of transformative learning (TTL).

  7. Evaluating Theory-Based Evaluation: Information, Norms, and Adherence (United States)

    Jacobs, W. Jake; Sisco, Melissa; Hill, Dawn; Malter, Frederic; Figueredo, Aurelio Jose


    Programmatic social interventions attempt to produce appropriate social-norm-guided behavior in an open environment. A marriage of applicable psychological theory, appropriate program evaluation theory, and outcome of evaluations of specific social interventions assures the acquisition of cumulative theory and the production of successful social…

  8. Market Mechanism Design for Renewable Energy based on Risk Theory (United States)

    Yang, Wu; Bo, Wang; Jichun, Liu; Wenjiao, Zai; Pingliang, Zeng; Haobo, Shi


    Generation trading between renewable energy and thermal power is an efficient market means for transforming supply structure of electric power into sustainable development pattern. But the trading is hampered by the output fluctuations of renewable energy and the cost differences between renewable energy and thermal power at present. In this paper, the external environmental cost (EEC) is defined and the EEC is introduced into the generation cost. At same time, the incentive functions of renewable energy and low-emission thermal power are designed, which are decreasing functions of EEC. On these bases, for the market risks caused by the random variability of EEC, the decision-making model of generation trading between renewable energy and thermal power is constructed according to the risk theory. The feasibility and effectiveness of the proposed model are verified by simulation results.

  9. Intelligent control based on fuzzy logic and neural net theory (United States)

    Lee, Chuen-Chien


    In the conception and design of intelligent systems, one promising direction involves the use of fuzzy logic and neural network theory to enhance such systems' capability to learn from experience and adapt to changes in an environment of uncertainty and imprecision. Here, an intelligent control scheme is explored by integrating these multidisciplinary techniques. A self-learning system is proposed as an intelligent controller for dynamical processes, employing a control policy which evolves and improves automatically. One key component of the intelligent system is a fuzzy logic-based system which emulates human decision making behavior. It is shown that the system can solve a fairly difficult control learning problem. Simulation results demonstrate that improved learning performance can be achieved in relation to previously described systems employing bang-bang control. The proposed system is relatively insensitive to variations in the parameters of the system environment.

  10. The Bus Station Spacing Optimization Based on Game Theory

    Directory of Open Access Journals (Sweden)

    Changjiang Zheng


    Full Text Available With the development of city, the problem of traffic is becoming more and more serious. Developing public transportation has become the key to solving this problem in all countries. Based on the existing public transit network, how to improve the bus operation efficiency, and reduce the residents transit trip cost has become a simple and effective way to develop the public transportation. Bus stop spacing is an important factor affecting passengers’ travel time. How to set up bus stop spacing has become the key to reducing passengers’ travel time. According to comprehensive traffic survey, theoretical analysis, and summary of urban public transport characteristics, this paper analyzes the impact of bus stop spacing on passenger in-bus time cost and out-bus time cost and establishes in-bus time and out-bus time model. Finally, the paper gets the balance best station spacing by introducing the game theory.

  11. Comparison of the SAWNUC model with CLOUD measurements of sulphuric acid-water nucleation

    CERN Document Server

    Ehrhart, Sebastian; Almeida, Joao; Amorim, Antonio; Barmet, Peter; Bianchi, Federico; Dommen, Josef; Dunne, Eimear M; Duplissy, Jonathan; Franchin, Alessandro; Kangasluoma, Juha; Kirkby, Jasper; Kürten, Andreas; Kupc, Agnieszka; Lehtipalo, Katrianne; Nieminen, Tuomo; Riccobono, Francesco; Rondo, Linda; Schobesberger, Siegfried; Steiner, Gerhard; Tomé, António; Wimmer, Daniela; Baltensperger, Urs; Wagner, Paul E; Curtius, Joachim


    Binary nucleation of sulphuric acid-water particles is expected to be an important process in the free troposphere at low temperatures. SAWNUC (Sulphuric Acid Water Nucleation) is a model of binary nucleation that is based on laboratory measurements of the binding energies of sulphuric acid and water in charged and neutral clusters. Predictions of SAWNUC are compared for the first time comprehensively with experimental binary nucleation data from the CLOUD chamber at European Organization for Nuclear Research. The experimental measurements span a temperature range of 208–292 K, sulphuric acid concentrations from 1·106 to 1·109 cm−3, and distinguish between ion-induced and neutral nucleation. Good agreement, within a factor of 5, is found between the experimental and modeled formation rates for ion-induced nucleation at 278 K and below and for neutral nucleation at 208 and 223 K. Differences at warm temperatures are attributed to ammonia contamination which was indicated by the presence of ammonia-sulphu...

  12. Critical Theory-Based Approaches in Geography Teaching Departments in Turkey (United States)

    Bilgili, Münür


    The aim of this study is to understand the relationships between critical theory-based approaches and its implementations in geography teaching departments in Turkey. Critical theory dates back to 1930s and has developed over time aiming to deal with institutions, culture and society through critical lens. Currently, critical theory-based research…

  13. Theory of quark confinement based on an analogy with a theory of magnetic monopoles

    International Nuclear Information System (INIS)

    Sugawara, H.


    A nonlocal theory of quark confinement is proposed. The confinement is achieved by generalizing the theory of magnetic monopoles. Monopoles and quarks satisfy similar equations of motion, at least formally except that the string attached to the monopoles is unphysical whereas the string which originates from the quarks carries the energy

  14. Correlation between thermodynamic anomalies and pathways of ice nucleation in supercooled water

    International Nuclear Information System (INIS)

    Singh, Rakesh S.; Bagchi, Biman


    The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the parent metastable phase fails to take into account the influence of other metastable phases having density/order intermediate between the parent metastable phase and the final stable phase. This lacuna can be more serious than capillary approximation or spherical shape assumption made in CNT. This issue is particularly significant in ice nucleation because liquid water shows rich phase diagram consisting of two (high and low density) liquid phases in supercooled state. The explanations of thermodynamic and dynamic anomalies of supercooled water often invoke the possible influence of a liquid-liquid transition between two metastable liquid phases. To investigate both the role of thermodynamic anomalies and presence of distinct metastable liquid phases in supercooled water on ice nucleation, we employ density functional theoretical approach to find nucleation free energy barrier in different regions of phase diagram. The theory makes a number of striking predictions, such as a dramatic lowering of nucleation barrier due to presence of a metastable intermediate phase and crossover in the dependence of free energy barrier on temperature near liquid-liquid critical point. These predictions can be tested by computer simulations as well as by controlled experiments

  15. Stress-based elastodynamic discrete laminated plate theory (United States)

    Schoeppner, G. A.; Wolfe, W. E.; Sandhu, R. S.


    A static laminated plate theory based on an assumed piecewise linear through-the-thickness in-plane stress distirbution has been extended to include inertia effects. Based on this in-plane stress distribution assumption, out-of-plane shear and normal stress component distributions were derived from the three-dimensional equations of motion, resulting in six nonzero stress components. Hamilton's variational principle was used to derive the plate equations of motion, the plate constitutive relationships, and the interface continuity equations. The governing equations were written in a form that is self-adjoint with respect to the convolution bilinear mapping. The resulting system of equations for a single lamina consists of 25 field equations in terms of 9 weighted displacement field variables, 10 stress and moment resultant field variables, and 6 out-of-plane shear and normal stress boundary field variables. For the laminated system, the mixed formulation enforces both traction and displacement continuity at lamina interfaces a it satisfies layer equilibrium. A finite element formulation based on a specialized form of the governing functional was developed. The method is illustrated with results of a free vibration analysis of sandwich and homogeneous plates for which exact solutions are available.

  16. a Classification Algorithm for Hyperspectral Data Based on Synergetics Theory (United States)

    Cerra, D.; Mueller, R.; Reinartz, P.


    This paper presents a new classification methodology for hyperspectral data based on synergetics theory, which describes the spontaneous formation of patterns and structures in a system through self-organization. We introduce a representation for hyperspectral data, in which a spectrum can be projected in a space spanned by a set of user-defined prototype vectors, which belong to some classes of interest. Each test vector is attracted by a final state associated to a prototype, and can be thus classified. As typical synergetics-based systems have the drawback of a rigid training step, we modify it to allow the selection of user-defined training areas, used to weight the prototype vectors through attention parameters and to produce a more accurate classification map through majority voting of independent classifications. Results are comparable to state of the art classification methodologies, both general and specific to hyperspectral data and, as each classification is based on a single training sample per class, the proposed technique would be particularly effective in tasks where only a small training dataset is available.

  17. Evolutionary game theory using agent-based methods. (United States)

    Adami, Christoph; Schossau, Jory; Hintze, Arend


    Evolutionary game theory is a successful mathematical framework geared towards understanding the selective pressures that affect the evolution of the strategies of agents engaged in interactions with potential conflicts. While a mathematical treatment of the costs and benefits of decisions can predict the optimal strategy in simple settings, more realistic settings such as finite populations, non-vanishing mutations rates, stochastic decisions, communication between agents, and spatial interactions, require agent-based methods where each agent is modeled as an individual, carries its own genes that determine its decisions, and where the evolutionary outcome can only be ascertained by evolving the population of agents forward in time. While highlighting standard mathematical results, we compare those to agent-based methods that can go beyond the limitations of equations and simulate the complexity of heterogeneous populations and an ever-changing set of interactors. We conclude that agent-based methods can predict evolutionary outcomes where purely mathematical treatments cannot tread (for example in the weak selection-strong mutation limit), but that mathematics is crucial to validate the computational simulations. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. The Operation Method of Smarter City Based on Ecological Theory (United States)

    Fan, C.; Fan, H. Y.


    As the city and urbanization’s accelerated pace has caused galloping population, the urban framework is extending with increasingly complex social problems. The urban management tends to become complicated and the governance seems more difficult to pursue. exploring the urban management’s new model has attracted local governments’ urgent attention. tcombines the guiding ideology and that management’s practices based on ecological theory, explains the Smarter city Ecology Managementmodel’s formation, makes modern urban management’s comparative analysis and further defines the aforesaid management mode’s conceptual model. Based on the smarter city system theory’s ecological carrying capacity, the author uses mathematical model to prove the coordination relationship between the smarter city Ecology Managementmode’s subsystems, demonstrates that it can improve the urban management’s overall level, emphasizes smarter city management integrity, believing that urban system’s optimization is based on each subsystem being optimized, attaching the importance to elements, structure, and balance between each subsystem and between internal elements. Through the establishment of the smarter city Ecology Managementmodel’s conceptual model and theoretical argumentation, it provides a theoretical basis and technical guidance to that model’s innovation.

  19. Structure of a Longitudinal Actin Dimer Assembled by Tandem W Domains: Implications for Actin Filament Nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Rebowski, Grzegorz; Namgoong, Suk; Boczkowska, Malgorzata; Leavis, Paul C.; Navaza, Jorge; Dominguez, Roberto (IBS); (BBRI); (UPENN-MED)


    Actin filament nucleators initiate polymerization in cells in a regulated manner. A common architecture among these molecules consists of tandem WASP homology 2 domains (W domains) that recruit three to four actin subunits to form a polymerization nucleus. We describe a low-resolution crystal structure of an actin dimer assembled by tandem W domains, where the first W domain is cross-linked to Cys374 of the actin subunit bound to it, whereas the last W domain is followed by the C-terminal pointed end-capping helix of thymosin {beta}4. While the arrangement of actin subunits in the dimer resembles that of a long-pitch helix of the actin filament, important differences are observed. These differences result from steric hindrance of the W domain with intersubunit contacts in the actin filament. We also determined the structure of the first W domain of Vibrio parahaemolyticus VopL cross-linked to actin Cys374 and show it to be nearly identical with non-cross-linked W-Actin structures. This result validates the use of cross-linking as a tool for the study of actin nucleation complexes, whose natural tendency to polymerize interferes with most structural methods. Combined with a biochemical analysis of nucleation, the structures may explain why nucleators based on tandem W domains with short inter-W linkers have relatively weak activity, cannot stay bound to filaments after nucleation, and are unlikely to influence filament elongation. The findings may also explain why nucleation-promoting factors of the Arp2/3 complex, which are related to tandem-W-domain nucleators, are ejected from branch junctions after nucleation. We finally show that the simple addition of the C-terminal pointed end-capping helix of thymosin {beta}4 to tandem W domains can change their activity from actin filament nucleation to monomer sequestration.

  20. Molecular dynamics studies of crystalline nucleation in one-component Yukawa plasmas

    International Nuclear Information System (INIS)

    Ravelo, R.; Hammerberg, J.E.; Holian, B.L.


    We report on molecular dynamics studies of one-component Yukawa plasmas undergoing rapid quenches from a fluid state with a Coulomb parameter Γ = 40 to solid states in the range 350 < Γ < 800. The detailed dynamical structure of ordering appears more complicated than results from classical theories of nucleation, with planar formation being observed before fully 3-dimensional ordering appears

  1. A Computational Fluid Dynamics Approach to Nucleation in the Water−Sulfuric Acid System

    Czech Academy of Sciences Publication Activity Database

    Herrmann, E.; Brus, David; Hyvärinen, A.-P.; Stratmann, F.; Wilck, M.; Lihavainen, H.; Kulmala, M.


    Roč. 114, č. 31 (2010), s. 8033-8042 ISSN 1089-5639 Grant - others:AFCE(FI) 1118615 Institutional research plan: CEZ:AV0Z40720504 Keywords : fluid dynamics modeling * kinetic nucleation theory * relative humidity Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.732, year: 2010

  2. A study on the measurement of the nucleated red blood cell (nRBC count based on birth weight and its correlation with perinatal prognosis in infants with very low birth weights

    Directory of Open Access Journals (Sweden)

    Tae Hwan Kil


    Full Text Available Purpose : The aim of this study was conducted to investigate the mean nRBC count in very low births weight infants (VLBWIs and to determine the usefulness of the nRBC as an independent prognostic factors of perinatal complications in VLBWIs. Methods : This study was conducted on 112 VLBWIs who were hospitalized in the neonatal intensive care unit (NICU of the author's hospital within the period from March 2003 to and May 2008. Based on the infants’ nucleated red blood cells (nRBC counts at birth, on the third day after birth, on the seventh day after birth, in the second week after birth, and in the fourth week after birth in the medical records, the correlation between nRBC or absolute nRBC counts with birth weight, gestational age, and other perinatal outcomes were retrospectively investigated, Results : In VLBWIs, their mean nRBC and absolute nRBC counts were showing a gradual decrease after birth, and they were consisteantly kept at low values since one week after and inversely proportional to the birth weights. The mean nRBC counts based on the stage after birth showed a significant correlation with perinatal death, necrotizing enterocolitis, and severe intraventricular hemorrhage. Conclusion : The increase in the nRBC count showed a significant correlation with having a severe intraventricular hemorrhage, necrotizing enterocolitis, and perinatal death in VLBWIs. If an increase or no decrease in the nRBC count after birth is observed, newborninfant care precautions should be required.

  3. Synaptic Bistability Due to Nucleation and Evaporation of Receptor Clusters

    KAUST Repository

    Burlakov, V. M.


    We introduce a bistability mechanism for long-term synaptic plasticity based on switching between two metastable states that contain significantly different numbers of synaptic receptors. One state is characterized by a two-dimensional gas of mobile interacting receptors and is stabilized against clustering by a high nucleation barrier. The other state contains a receptor gas in equilibrium with a large cluster of immobile receptors, which is stabilized by the turnover rate of receptors into and out of the synapse. Transitions between the two states can be initiated by either an increase (potentiation) or a decrease (depotentiation) of the net receptor flux into the synapse. This changes the saturation level of the receptor gas and triggers nucleation or evaporation of receptor clusters. © 2012 American Physical Society.

  4. Monte Carlo studies of drug nucleation 1: formation of crystalline clusters of bicalutamide in water. (United States)

    Persson, Rasmus; Nordholm, Sture; Perlovich, German; Lindfors, Lennart


    A computational method of predicting the effects of the metastability of drug solutions is sought. A simple extension of our in silicio approach to thermodynamic drug solubility is tested on the drug bicalutamide for which we performed vapor pressure measurements complementing earlier measurements of aqueous solubility and crystal-water interfacial tension. The free energy of formation of an N-cluster of the drug molecule is estimated semiempirically by use of an Einstein model of the crystal in which experiment supplies the crystal structure, enthalpy of sublimation, and Einstein frequency of vibration. The rigid drug clusters with N from 2 to 14 are extracted from the bulk crystal by minimization of either cluster energy or radius of gyration. The free energy of hydration is estimated by Monte Carlo simulation combined with simplified response theory based on the OPLS-AA/COMPASS force field for the drug-water interaction and the TIP4P water model. The results have been interpreted in terms of an apparent crystal-water interfacial tension according to classical nucleation theory. The energy-minimal and radius of gyration-minimal clusters seem to give very similar crystal-water interfacial tensions for both the monoclinic and the triclinic polymorph. The interfacial tension of the monoclinic polymorph is significantly higher (by around 20%) than that of the triclinic polymorph in accordance with experiment. For the triclinic polymorph a substantial overestimation of the interfacial tension compared to estimates from crystal nucleation experiments is found, mitigated somewhat by an empirical scaling of the simulated binding energies and free energies of hydration.

  5. Ice Nucleation Activity of Various Agricultural Soil Dust Aerosol Particles (United States)

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


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

  6. A new approach to sperm preservation based on bioenergetic theory. (United States)

    Froman, D P; Feltmann, A J


    To date, attempts to preserve chicken sperm have been based on a trial-and-error experimental approach. The present work outlines the development of an alternative approach based on empiricism and bioenergetic theory. In previous work, we found fowl sperm motility to be dependent on mitochondrial calcium cycling, phospholipase A(2), and long-chain fatty acids as an endogenous energy source. It is noteworthy that fowl sperm reside within the sperm storage tubules (SST) of the oviduct over an interval of days to weeks after insemination. In this regard, a model for in vivo sperm storage was developed and tested in additional previous research. Sperm penetration of the SST, sperm residence within the SST, and sperm egress from the SST can be explained in terms mitochondrial function. Understanding sperm function and longevity in terms of bioenergetics presented the possibility that sperm could be inactivated by disrupting mitochondrial calcium cycling and could thereby be preserved. However, this possibility also posed a problem: maintenance of the inner membrane potential of the mitochondrion within inactivated sperm. This report describes a series of experiments in which fowl sperm were inactivated by treatment with the calcium chelator tetrasodium 1,2-bis-(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid, and then reactivated by treatment with calcium ions. The effect of tetrasodium 1,2-bis-(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid on mitochondrial calcium cycling was confirmed by flow cytometry and confocal microscopy. When treated sperm were cooled to 10 degrees C, inactivated sperm could be reactivated throughout a 5-h storage interval. When stored sperm were held for 3 h before reactivation and insemination, fertility was 88% of the control. Storage did not affect hatchability. In summary, short-term storage was realized by manipulating mitochondrial function. We propose that 1) complex V consumes ATP within inactivated sperm and, by doing so, maintains

  7. Nucleation and growth of cadherin adhesions

    International Nuclear Information System (INIS)

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


    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

  8. Switching theory-based steganographic system for JPEG images (United States)

    Cherukuri, Ravindranath C.; Agaian, Sos S.


    Cellular communications constitute a significant portion of the global telecommunications market. Therefore, the need for secured communication over a mobile platform has increased exponentially. Steganography is an art of hiding critical data into an innocuous signal, which provide answers to the above needs. The JPEG is one of commonly used format for storing and transmitting images on the web. In addition, the pictures captured using mobile cameras are in mostly in JPEG format. In this article, we introduce a switching theory based steganographic system for JPEG images which is applicable for mobile and computer platforms. The proposed algorithm uses the fact that energy distribution among the quantized AC coefficients varies from block to block and coefficient to coefficient. Existing approaches are effective with a part of these coefficients but when employed over all the coefficients they show there ineffectiveness. Therefore, we propose an approach that works each set of AC coefficients with different frame work thus enhancing the performance of the approach. The proposed system offers a high capacity and embedding efficiency simultaneously withstanding to simple statistical attacks. In addition, the embedded information could be retrieved without prior knowledge of the cover image. Based on simulation results, the proposed method demonstrates an improved embedding capacity over existing algorithms while maintaining a high embedding efficiency and preserving the statistics of the JPEG image after hiding information.

  9. Molecular nucleation mechanisms and control strategies for crystal polymorph selection (United States)

    van Driessche, Alexander E. S.; van Gerven, Nani; Bomans, Paul H. H.; Joosten, Rick R. M.; Friedrich, Heiner; Gil-Carton, David; Sommerdijk, Nico A. J. M.; Sleutel, Mike


    The formation of condensed (compacted) protein phases is associated with a wide range of human disorders, such as eye cataracts, amyotrophic lateral sclerosis, sickle cell anaemia and Alzheimer’s disease. However, condensed protein phases have their uses: as crystals, they are harnessed by structural biologists to elucidate protein structures, or are used as delivery vehicles for pharmaceutical applications. The physiochemical properties of crystals can vary substantially between different forms or structures (‘polymorphs’) of the same macromolecule, and dictate their usability in a scientific or industrial context. To gain control over an emerging polymorph, one needs a molecular-level understanding of the pathways that lead to the various macroscopic states and of the mechanisms that govern pathway selection. However, it is still not clear how the embryonic seeds of a macromolecular phase are formed, or how these nuclei affect polymorph selection. Here we use time-resolved cryo-transmission electron microscopy to image the nucleation of crystals of the protein glucose isomerase, and to uncover at molecular resolution the nucleation pathways that lead to two crystalline states and one gelled state. We show that polymorph selection takes place at the earliest stages of structure formation and is based on specific building blocks for each space group. Moreover, we demonstrate control over the system by selectively forming desired polymorphs through site-directed mutagenesis, specifically tuning intermolecular bonding or gel seeding. Our results differ from the present picture of protein nucleation, in that we do not identify a metastable dense liquid as the precursor to the crystalline state. Rather, we observe nucleation events that are driven by oriented attachments between subcritical clusters that already exhibit a degree of crystallinity. These insights suggest ways of controlling macromolecular phase transitions, aiding the development of protein-based

  10. MaxEnt-Based Ecological Theory: A Template for Integrated Catchment Theory (United States)

    Harte, J.


    The maximum information entropy procedure (MaxEnt) is both a powerful tool for inferring least-biased probability distributions from limited data and a framework for the construction of complex systems theory. The maximum entropy theory of ecology (METE) describes remarkably well widely observed patterns in the distribution, abundance and energetics of individuals and taxa in relatively static ecosystems. An extension to ecosystems undergoing change in response to disturbance or natural succession (DynaMETE) is in progress. I describe the structure of both the static and the dynamic theory and show a range of comparisons with census data. I then propose a generalization of the MaxEnt approach that could provide a framework for a predictive theory of both static and dynamic, fully-coupled, eco-socio-hydrological catchment systems.

  11. Viscosity Prediction of Hydrocarbon Mixtures Based on the Friction Theory

    DEFF Research Database (Denmark)

    Zeberg-Mikkelsen, Claus Kjær; Cisneros, Sergio; Stenby, Erling Halfdan


    The application and capability of the friction theory (f-theory) for viscosity predictions of hydrocarbon fluids is further illustrated by predicting the viscosity of binary and ternary liquid mixtures composed of n-alkanes ranging from n-pentane to n-decane for wide ranges of temperature and from...... low to high pressures. In the f-theory viscosity predictions the SRK and the PRSV EOS have respectively been used. Further, a comparison with the widely used LBC viscosity model shows that better results are obtained with the f-theory models. The obtained AAD% is within or close to the experimental...

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  13. Modelling the stochastic behaviour of primary nucleation. (United States)

    Maggioni, Giovanni Maria; Mazzotti, Marco


    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.

  14. IMMAN: free software for information theory-based chemometric analysis. (United States)

    Urias, Ricardo W Pino; Barigye, Stephen J; Marrero-Ponce, Yovani; García-Jacas, César R; Valdes-Martiní, José R; Perez-Gimenez, Facundo


    The features and theoretical background of a new and free computational program for chemometric analysis denominated IMMAN (acronym for Information theory-based CheMoMetrics ANalysis) are presented. This is multi-platform software developed in the Java programming language, designed with a remarkably user-friendly graphical interface for the computation of a collection of information-theoretic functions adapted for rank-based unsupervised and supervised feature selection tasks. A total of 20 feature selection parameters are presented, with the unsupervised and supervised frameworks represented by 10 approaches in each case. Several information-theoretic parameters traditionally used as molecular descriptors (MDs) are adapted for use as unsupervised rank-based feature selection methods. On the other hand, a generalization scheme for the previously defined differential Shannon's entropy is discussed, as well as the introduction of Jeffreys information measure for supervised feature selection. Moreover, well-known information-theoretic feature selection parameters, such as information gain, gain ratio, and symmetrical uncertainty are incorporated to the IMMAN software ( ), following an equal-interval discretization approach. IMMAN offers data pre-processing functionalities, such as missing values processing, dataset partitioning, and browsing. Moreover, single parameter or ensemble (multi-criteria) ranking options are provided. Consequently, this software is suitable for tasks like dimensionality reduction, feature ranking, as well as comparative diversity analysis of data matrices. Simple examples of applications performed with this program are presented. A comparative study between IMMAN and WEKA feature selection tools using the Arcene dataset was performed, demonstrating similar behavior. In addition, it is revealed that the use of IMMAN unsupervised feature selection methods improves the performance of both IMMAN and WEKA

  15. School-based theories of pupil assessment: a case study. (United States)

    Veal, M L


    Case study design was used in this investigation of the pupil assessment theories of two middle school physical education teachers whose program was identified as a good program in which pupil assessment was taking place. An assumption guiding the study was that teachers' actions are rational and are designed to produce desired results. Therefore, a comparison is made only between two theories of action (espoused and enacted) rather than between theory and practice. Informal and semistructured interviews were employed to elicit teachers' espoused theories, and enacted theories were identified during field visits over a semester in which classes were observed and school documents examined. Teachers' theories of assessment are identified for the categories of participation, effort, and improvement; grading; written tests; fitness testing; performance tests; and formative recordkeeping. Espoused and enacted theories are then examined for congruency. The highest level of incongruency was found in the areas of performance tests and formative recordkeeping. Barriers to the use of pupil assessment techniques in this program include organizational, knowledge, and contextual factors. Change in the assessment practices of secondary teachers may be facilitated, however, through the identification and examination of teachers' theories of assessment by both preservice and inservice teachers.

  16. Beginning Student Teachers' Teacher Identities Based on Their Practical Theories (United States)

    Stenberg, Katariina; Karlsson, Liisa; Pitkaniemi, Harri; Maaranen, Katriina


    In this article, we investigate first-year student teachers' teacher identities through their practical theories and ask what these practical theories reveal about their emerging teacher identities? This study approaches teacher identity from a dialogical viewpoint where identity is constructed through various positions. The empirical part of this…

  17. Increase in Ice Nucleation Efficiency of Feldspars, Kaolinite and Mica in Dilute NH3 and NH4+-containing Solutions (United States)

    Kumar, A.; Marcolli, C.; Luo, B.; Krieger, U. K.; Peter, T.


    Semivolatile species present in the atmosphere are prone to adhere to mineral dust particle surfaces during long range transport, and could potentially change the particle surface properties and its ice nucleation (IN) efficiency. Immersion freezing experiments were performed with microcline (K-feldspar), known to be highly IN active, suspended in aqueous solutions of ammonia, (NH4)2SO4, NH4HSO4, NH4NO3, NH4Cl, Na2SO4, H2SO4, K2SO4 and KCl to investigate the effect of solutes on the IN efficiency. Freezing of emulsified droplets investigated with a differential scanning calorimeter (DSC) showed that the heterogeneous ice nucleation temperatures deviate from the water activity-based IN theory, describing heterogeneous ice nucleation temperatures as a function of solution water activity by a constant offset with respect to the ice melting point curve (Zobrist et al. 2008). IN temperatures enhanced up to 4.5 K were observed for very dilute NH3 and NH4+-containing solutions while a decrease was observed as the concentration was further increased. For all solutes with cations other than NH4+, the IN efficiency decreased. An increase of the IN efficiency in very dilute NH3 and NH4+-containing solutions followed by a decrease with increasing concentration was also observed for sanidine (K-feldspar) and andesine (Na/Ca-feldspar). This is an important indication towards specific chemical interactions between solutes and the feldspar surface which is not captured by the water activity-based IN theory. A similar trend is present but less pronounced in case of kaolinite and mica, while quartz is barely affected. We hypothesize that the hydrogen bonding of NH3 molecules with surface -OH groups could be the reason for the enhanced freezing temperatures in dilute ammonia and ammonium containing solutions as they could form an ice-like overlayer providing hydrogen bonding groups for ice to nucleate on top of it. This implies to possibilities of enhanced IN efficiency, especially

  18. Immersion freezing of supermicron mineral dust particles: freezing results, testing different schemes for describing ice nucleation, and ice nucleation active site densities. (United States)

    Wheeler, M J; Mason, R H; Steunenberg, K; Wagstaff, M; Chou, C; Bertram, A K


    Ice nucleation on mineral dust particles is known to be an important process in the atmosphere. To accurately implement ice nucleation on mineral dust particles in atmospheric simulations, a suitable theory or scheme is desirable to describe laboratory freezing data in atmospheric models. In the following, we investigated ice nucleation by supermicron mineral dust particles [kaolinite and Arizona Test Dust (ATD)] in the immersion mode. The median freezing temperature for ATD was measured to be approximately -30 °C compared with approximately -36 °C for kaolinite. The freezing results were then used to test four different schemes previously used to describe ice nucleation in atmospheric models. In terms of ability to fit the data (quantified by calculating the reduced chi-squared values), the following order was found for ATD (from best to worst): active site, pdf-α, deterministic, single-α. For kaolinite, the following order was found (from best to worst): active site, deterministic, pdf-α, single-α. The variation in the predicted median freezing temperature per decade change in the cooling rate for each of the schemes was also compared with experimental results from other studies. The deterministic model predicts the median freezing temperature to be independent of cooling rate, while experimental results show a weak dependence on cooling rate. The single-α, pdf-α, and active site schemes all agree with the experimental results within roughly a factor of 2. On the basis of our results and previous results where different schemes were tested, the active site scheme is recommended for describing the freezing of ATD and kaolinite particles. We also used our ice nucleation results to determine the ice nucleation active site (INAS) density for the supermicron dust particles tested. Using the data, we show that the INAS densities of supermicron kaolinite and ATD particles studied here are smaller than the INAS densities of submicron kaolinite and ATD particles


    Directory of Open Access Journals (Sweden)

    Javier González-Villa


    Full Text Available The nucleator is a design unbiased method of local stereology for estimating the volume of a bounded object. The only information required lies in the intersection of the object with an isotropic random ray emanating from a fixed point (called the pivotal point associated with the object. For instance, the volume of a neuron can be estimated from a random ray emanating from its nucleolus. The nucleator is extensively used in biosciences because it is efficient and easy to apply. The estimator variance can be reduced by increasing the number of rays. In an earlier paper a systematic sampling design was proposed, and theoretical variance predictors were derived, for the corresponding volume estimator. Being the only variance predictors hitherto available for the nucleator, our basic goal was to check their statistical performance by means of Monte Carlo resampling on computer reconstructions of real objects. As a plus, the empirical distribution of the volume estimator revealed statistical properties of practical relevance.

  20. Modeling Sensor Reliability in Fault Diagnosis Based on Evidence Theory. (United States)

    Yuan, Kaijuan; Xiao, Fuyuan; Fei, Liguo; Kang, Bingyi; Deng, Yong


    Sensor data fusion plays an important role in fault diagnosis. Dempster-Shafer (D-R) evidence theory is widely used in fault diagnosis, since it is efficient to combine evidence from different sensors. However, under the situation where the evidence highly conflicts, it may obtain a counterintuitive result. To address the issue, a new method is proposed in this paper. Not only the statistic sensor reliability, but also the dynamic sensor reliability are taken into consideration. The evidence distance function and the belief entropy are combined to obtain the dynamic reliability of each sensor report. A weighted averaging method is adopted to modify the conflict evidence by assigning different weights to evidence according to sensor reliability. The proposed method has better performance in conflict management and fault diagnosis due to the fact that the information volume of each sensor report is taken into consideration. An application in fault diagnosis based on sensor fusion is illustrated to show the efficiency of the proposed method. The results show that the proposed method improves the accuracy of fault diagnosis from 81.19% to 89.48% compared to the existing methods.

  1. Feature extraction algorithm for space targets based on fractal theory (United States)

    Tian, Balin; Yuan, Jianping; Yue, Xiaokui; Ning, Xin


    In order to offer a potential for extending the life of satellites and reducing the launch and operating costs, satellite servicing including conducting repairs, upgrading and refueling spacecraft on-orbit become much more frequently. Future space operations can be more economically and reliably executed using machine vision systems, which can meet real time and tracking reliability requirements for image tracking of space surveillance system. Machine vision was applied to the research of relative pose for spacecrafts, the feature extraction algorithm was the basis of relative pose. In this paper fractal geometry based edge extraction algorithm which can be used in determining and tracking the relative pose of an observed satellite during proximity operations in machine vision system was presented. The method gets the gray-level image distributed by fractal dimension used the Differential Box-Counting (DBC) approach of the fractal theory to restrain the noise. After this, we detect the consecutive edge using Mathematical Morphology. The validity of the proposed method is examined by processing and analyzing images of space targets. The edge extraction method not only extracts the outline of the target, but also keeps the inner details. Meanwhile, edge extraction is only processed in moving area to reduce computation greatly. Simulation results compared edge detection using the method which presented by us with other detection methods. The results indicate that the presented algorithm is a valid method to solve the problems of relative pose for spacecrafts.

  2. Complete theory of symmetry-based indicators of band topology. (United States)

    Po, Hoi Chun; Vishwanath, Ashvin; Watanabe, Haruki


    The interplay between symmetry and topology leads to a rich variety of electronic topological phases, protecting states such as the topological insulators and Dirac semimetals. Previous results, like the Fu-Kane parity criterion for inversion-symmetric topological insulators, demonstrate that symmetry labels can sometimes unambiguously indicate underlying band topology. Here we develop a systematic approach to expose all such symmetry-based indicators of band topology in all the 230 space groups. This is achieved by first developing an efficient way to represent band structures in terms of elementary basis states, and then isolating the topological ones by removing the subset of atomic insulators, defined by the existence of localized symmetric Wannier functions. Aside from encompassing all earlier results on such indicators, including in particular the notion of filling-enforced quantum band insulators, our theory identifies symmetry settings with previously hidden forms of band topology, and can be applied to the search for topological materials.Understanding the role of topology in determining electronic structure can lead to the discovery, or appreciation, of materials with exotic properties such as protected surface states. Here, the authors present a framework for identifying topologically distinct band-structures for all 3D space groups.

  3. System of marketing deciding support based on game theory

    Directory of Open Access Journals (Sweden)

    Gordana Dukić


    Full Text Available Quantitative methods and models can be applied in numerous spheres of marketing deciding. The choice of optimal strategy in product advertising is one of the problems that the marketing-management often meets. The use of models developed within the framework of game theory makes significantly easier to find out the solutions of conflict situations that appear herewith. The system of deciding support presented in this work is based on the supposition that two opposed sides take part in the game. With the aim of deciding process promotion, the starting model incorporates computer simulation of percentile changes in the market share that represent elements of payment matrix. The supposition is that the random variables that represent them follow the normal division. It is necessary to carry out the evaluation of their parameters because of relevant data. Information techniques, computer and the adequate program applications take the special position in solving and analysis of the suggested model. This kind of their application represents the basic characteristic of the deciding support system.

  4. Web-Based Questionnaires for Type Theory Course

    Directory of Open Access Journals (Sweden)

    Daniel MIHÁLYI


    Full Text Available This paper describes our effort on the usage of modern information and communication technologies as well as innovation process in the field of teaching. % Our goal is to design and develop a web-based system to support management and analysis of course questionnaires for students. The proposed system is broadly divided into two parts. First, we describe the system architecture followed by a preparation of a suitable network environment and a design of a database model used for storage of data about the questionnaires. Second, we present a design of the proposed website, its structure, and finally a proper layout of the questionnaires. An important functionality of our system is also to provide various statistical information obtained from the responses. This enables teachers to exercise introspection and self-reflection in order to improve quality of their teaching of the course. The main goal of our long-term effort is a deployment of the system into use within the course on Type theory, which allows students to grow their knowledge in the principles of type systems and languages of functional programming paradigm.

  5. Sentiment Prediction Based on Dempster-Shafer Theory of Evidence

    Directory of Open Access Journals (Sweden)

    Mohammad Ehsan Basiri


    Full Text Available Sentiment prediction techniques are often used to assign numerical scores to free-text format reviews written by people in online review websites. In order to exploit the fine-grained structural information of textual content, a review may be considered as a collection of sentences, each with its own sentiment orientation and score. In this manner, a score aggregation method is needed to combine sentence-level scores into an overall review rating. While recent work has concentrated on designing effective sentence-level prediction methods, there remains the problem of finding efficient algorithms for score aggregation. In this study, we investigate different aggregation methods, as well as the cases in which they perform poorly. According to the analysis of existing methods, we propose a new score aggregation method based on the Dempster-Shafer theory of evidence. In the proposed method, we first detect the polarity of reviews using a machine learning approach and then, consider sentence scores as evidence for the overall review rating. The results from two public social web datasets show the higher performance of our method in comparison with existing score aggregation methods and state-of-the-art machine learning approaches.

  6. Cognitive performance modeling based on general systems performance theory. (United States)

    Kondraske, George V


    General Systems Performance Theory (GSPT) was initially motivated by problems associated with quantifying different aspects of human performance. It has proved to be invaluable for measurement development and understanding quantitative relationships between human subsystem capacities and performance in complex tasks. It is now desired to bring focus to the application of GSPT to modeling of cognitive system performance. Previous studies involving two complex tasks (i.e., driving and performing laparoscopic surgery) and incorporating measures that are clearly related to cognitive performance (information processing speed and short-term memory capacity) were revisited. A GSPT-derived method of task analysis and performance prediction termed Nonlinear Causal Resource Analysis (NCRA) was employed to determine the demand on basic cognitive performance resources required to support different levels of complex task performance. This approach is presented as a means to determine a cognitive workload profile and the subsequent computation of a single number measure of cognitive workload (CW). Computation of CW may be a viable alternative to measuring it. Various possible "more basic" performance resources that contribute to cognitive system performance are discussed. It is concluded from this preliminary exploration that a GSPT-based approach can contribute to defining cognitive performance models that are useful for both individual subjects and specific groups (e.g., military pilots).

  7. Theory-Based Evaluation Meets Ambiguity: The Role of Janus Variables (United States)

    Dahler-Larsen, Peter


    As theory-based evaluation (TBE) engages in situations where multiple stakeholders help develop complex program theory about dynamic phenomena in politically contested settings, it becomes difficult to develop and use program theory without ambiguity. The purpose of this article is to explore ambiguity as a fruitful perspective that helps TBE face…

  8. Size dependence of volume and surface nucleation rates for homogeneous freezing of supercooled water droplets

    Directory of Open Access Journals (Sweden)

    T. Kuhn


    Full Text Available The relative roles of volume and surface nucleation were investigated for the homogeneous freezing of pure water droplets. Experiments were carried out in a cryogenic laminar aerosol flow tube using supercooled water aerosols with maximum volume densities at radii between 1 and 3 μm. Temperature- and size-dependent values of volume- and surface-based homogeneous nucleation rates between 234.8 and 236.2 K were derived using a microphysical model and aerosol phase compositions and size distributions determined from infrared extinction measurements in the flow tube. The results show that the contribution from nucleation at the droplet surface increases with decreasing droplet radius and dominates over nucleation in the bulk droplet volume for droplets with radii smaller than approximately 5 μm. This is interpreted in terms of a lowered free energy of ice germ formation in the surface-based process. The implications of surface nucleation for the parameterization of homogeneous ice nucleation in numerical models are considered.

  9. Rutting Prediction in Asphalt Pavement Based on Viscoelastic Theory

    Directory of Open Access Journals (Sweden)

    Nahi Mohammed Hadi


    Full Text Available Rutting is one of the most disturbing failures on the asphalt roads due to the interrupting it is caused to the drivers. Predicting of asphalt pavement rutting is essential tool leads to better asphalt mixture design. This work describes a method of predicting the behaviour of various asphalt pavement mixes and linking these to an accelerated performance testing. The objective of this study is to develop a finite element model based on viscoplastic theory for simulating the laboratory testing of asphalt mixes in Hamburg Wheel Rut Tester (HWRT for rutting. The creep parameters C1, C2 and C3 are developed from the triaxial repeated load creep test at 50°C and at a frequency of 1 Hz and the modulus of elasticity and Poisson’ s ratio determined at the same temperature. Viscoelastic model (creep model is adopted using a FE simulator (ANSYS in order to calculate the rutting for various mixes under a uniform loading pressure of 500 kPa. An eight-node with a three Degrees of Freedom (UX, UY, and UZ Element is used for the simulation. The creep model developed for HWRT tester was verified by comparing the predicted rut depths with the measured one and by comparing the rut depth with ABAQUS result from literature. Reasonable agreement can be obtained between the predicted rut depths and the measured one. Moreover, it is found that creep model parameter C1 and C3 have a strong relationship with rutting. It was clear that the parameter C1 strongly influences rutting than the parameter C3. Finally, it can be concluded that creep model based on finite element method can be used as an effective tool to analyse rutting of asphalt pavements.

  10. A unified kinetic approach to binary nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Kevrekidis, P.G. [Department of Physics, Rutgers University, 136 Frelinghuysen Road]|[E.O.H.S.I., Rutgers University]|[UMDNJ, 170 Frelinghuysen Road, Piscataway, New Jersey 08854-8019 (United States); Lazaridis, M. [Norwegian Institute for Air Research (NILU), Instittutvein 18, P. O. Box 100, N-2007 Kjeller (Norway); Drossinos, Y. [European Commission, Joint Research Centre, I-21020 Ispra (Vatican City State, Holy See) (Italy); Georgopoulos, P.G. [E.O.H.S.I., Rutgers University]|[UMDNJ, 170 Frelinghuysen Road, Piscataway, New Jersey 08854 (United States)


    Two different methods to calculate the steady-state nucleation rate in heteromolecular systems proposed by Stauffer (1976) and Langer (1969) are analyzed. Their mathematical equivalence is explicitly demonstrated, thereby obtaining a generic expression for the rate of binary nucleation. Its numerical evaluation does not entail rotation of the coordinate system at the saddle point, but it only requires data in the natural coordinate system of number fluctuations, namely molecular impingement rates, the droplet free energy and its second order derivatives at the saddle point, and the total density of condensible vapors. {copyright} {ital 1999 American Institute of Physics.}

  11. Dumbbells and onions in ternary nucleation. (United States)

    Nellas, Ricky B; Chen, Bin; Siepmann, J Ilja


    Molecular simulations for a ternary nucleation system (water/n-nonane/1-butanol) demonstrate a more complex nucleation mechanism than previously thought, where critical nuclei with different compositions are present even for a given vapour-phase composition; the spatial distribution in these critical nuclei is heterogeneous and dumbbell and onion motifs are found; in the former, water and nonane nano-droplets are connected through a butanol handle, while in the latter a water core is surrounded by a nonane corona with an interfacial butanol shell.

  12. Crystal nucleation in simple and complex fluids. (United States)

    Oxtoby, David W


    The application of density-functional methods from statistical mechanics to the nucleation of crystals from the melt is described. Simple fluids such as metals, with sizes comparable with the range of their attractive forces, are compared with complex fluids such as colloidal suspensions and proteins dissolved in solution. A different mechanism for crystal nucleation is proposed in the latter case, in which density (concentration) changes before periodic crystalline order appears. This leads to a theoretical foundation for empirical observations on the 'crystallization window' in protein crystallization. Comparisons are made with the results of computer simulation via molecular dynamics.

  13. Learning Theory Bases of Communicative Methodology and the Notional/Functional Syllabus


    Jacqueline D., Beebe


    This paper examines the learning theories that underlie the philosophy and practices known as communicative language teaching methodology. These theories are identified first as a reaction against the behavioristic learning theory of audiolingualism. Approaches to syllabus design based on both the "weak" version of communicative language teaching-learning to use the second language-and the "strong" version-using the second language to learn it-are examined. The application of cognitive theory...

  14. Light scattering of a Bessel beam by a nucleated biological cell: An eccentric sphere model (United States)

    Wang, Jia Jie; Han, Yi Ping; Chang, Jiao Yong; Chen, Zhu Yang


    Within the framework of generalized Lorenz-Mie theory (GLMT), an eccentrically stratified dielectric sphere model illuminated by an arbitrarily incident Bessel beam is applied to investigate the scattering characteristics of a single nucleated biological cell. The Bessel beam propagating in an arbitrary direction is expanded in terms of vector spherical wave functions (VSWFs), where the beam shape coefficients (BSCs) are calculated rigorously in a closed analytical form. The effects of the half-cone angle of Bessel beam, the location of the particle in the beam, the size ratio of nucleus to cell, and the location of the nucleus inside the cell on the scattering properties of a nucleated cell are analyzed. The results provide useful references for optical diagnostic and imaging of particle having nucleated structure.

  15. Molecular dynamics simulations of bubble nucleation in dark matter detectors. (United States)

    Denzel, Philipp; Diemand, Jürg; Angélil, Raymond


    Bubble chambers and droplet detectors used in dosimetry and dark matter particle search experiments use a superheated metastable liquid in which nuclear recoils trigger bubble nucleation. This process is described by the classical heat spike model of F. Seitz [Phys. Fluids (1958-1988) 1, 2 (1958)PFLDAS0031-917110.1063/1.1724333], which uses classical nucleation theory to estimate the amount and the localization of the deposited energy required for bubble formation. Here we report on direct molecular dynamics simulations of heat-spike-induced bubble formation. They allow us to test the nanoscale process described in the classical heat spike model. 40 simulations were performed, each containing about 20 million atoms, which interact by a truncated force-shifted Lennard-Jones potential. We find that the energy per length unit needed for bubble nucleation agrees quite well with theoretical predictions, but the allowed spike length and the required total energy are about twice as large as predicted. This could be explained by the rapid energy diffusion measured in the simulation: contrary to the assumption in the classical model, we observe significantly faster heat diffusion than the bubble formation time scale. Finally we examine α-particle tracks, which are much longer than those of neutrons and potential dark matter particles. Empirically, α events were recently found to result in louder acoustic signals than neutron events. This distinction is crucial for the background rejection in dark matter searches. We show that a large number of individual bubbles can form along an α track, which explains the observed larger acoustic amplitudes.

  16. The Application of Carl Rogers' Person-Centered Learning Theory to Web-Based Instruction. (United States)

    Miller, Christopher T.

    This paper provides a review of literature that relates research on Carl Rogers' person-centered learning theory to Web-based learning. Based on the review of the literature, a set of criteria is described that can be used to determine how closely a Web-based course matches the different components of Rogers' person-centered learning theory. Using…

  17. What is the Extent of Theory in Computer-Based Sexual Health Promotion Interventions?

    Directory of Open Access Journals (Sweden)

    Christine Cassidy


    Full Text Available Background: Sexual health is a critical component of health and well-being that remains a public health challenge, with many sexual health interventions having mixed success at preventing sexually transmitted infections (STIs and HIV/AIDS (1. One strategy in ensuring greater success of sexual health interventions is to use behavior change theory as a guide for the development and implementation of interventions. Behaviour change theory allows for greater understanding of the intrinsic and extrinsic factors that influence an individual’s motivations for change (2. Some studies have shown that interventions are more likely to succeed when theory is used in the development and implementation process (3–7. However, many researchers continue to use theory as a loose framework without explicitly applying or testing it (8. Currently, it is unknown how behaviour change theory is used in computer-based sexual health interventions. Aim: To investigate a systematic review on computer-based sexual health promotion interventions to determine the extent that behaviour change theory is used to inform, develop, and test the interventions. Methods: We conducted an in-depth secondary analysis of a Cochrane review on computer-based interventions for sexual health promotion (1 to determine the extent that behaviour change theory was used to inform, develop, and test the interventions. The extent and type of theory use was assessed using the Theory Coding Scheme (TCS − a reliable method for assessing the extent to which behavioural interventions are theory-based (8. Two independent coders conducted the analysis. Data were extracted and grouped according to the six categories outlined by the Theory Coding Scheme. Results: The findings suggest that over half of the primary studies (n=9 mention theory in the background to the study. Fewer studies (n=6 used the theory or predictors of behaviour to design the intervention or to select intervention recipients. While

  18. A new theory of phase-contrast x-ray imaging based on Wigner distributions. (United States)

    Wu, Xizeng; Liu, Hong


    There is a pressing need for a comprehensive theory for phase-contrast x-ray imaging to guide its development and clinical applications. This work presents such a theory as the foundation for deriving these guidelines. The new theory is based on the Wigner-distributions for the parabolic wave equations, and it is more general than the present theories based on the Fresnel-Kirchhoff diffraction theory. The new theory shows for the first time how the complex degree of coherence (CDC) of the incident x-ray beam determines the phase-contrast visibility in general, and how the reduced complex degree of coherence (RCDC) for an anode-source is equal to the system's optical transfer function for geometric unsharpness in particular. The role of detector resolution in phase visibility has been clarified as well. Computer simulations based on the new theory were conducted and optimal design parameters were derived for phase-contrast mammography systems.

  19. Pre-Game-Theory Based Information Technology (GAMBIT) Study

    National Research Council Canada - National Science Library

    Polk, Charles


    .... The generic GAMBIT scenario has been characterized as Dynamic Hierarchical Gaming (DHG). Game theory is not yet ready to fully support analysis of DHG, though existing partial analysis suggests that a full treatment is practical in the midterm...

  20. [Peplau's theory of interpersonal relations: an analysis based of Barnum]. (United States)

    de Almeida, Vitória de Cássia Félix; Lopes, Marcos Venícios de Oliveira; Damasceno, Marta Maria Coelho


    The use of theories in Nursing reflects a movement in the profession towards the autonomy and delimitation of its actions. It is, therefore, extremely relevant that theories may be analyzed as for their applicability to practice. The object of this study is to make an analytical-descriptive study of Peplau's Theory of Interpersonal Relations in Nursing from the model of analysis proposed by Barbara Barnum. Among the structural components that may be analyzed in a theory was chosen the element "process", a method recommended for the development of nursing' actions, which was submitted to Barnum's criteria of usefulness. The assessment showed that Peplau's theoretical presuppositions are operational and may serve as a basis in any situation in which nurses communicate and interact with his/her patients.

  1. State variable theories based on Hart's formulation

    Energy Technology Data Exchange (ETDEWEB)

    Korhonen, M.A.; Hannula, S.P.; Li, C.Y.


    In this paper a review of the development of a state variable theory for nonelastic deformation is given. The physical and phenomenological basis of the theory and the constitutive equations describing macroplastic, microplastic, anelastic and grain boundary sliding enhanced deformation are presented. The experimental and analytical evaluation of different parameters in the constitutive equations are described in detail followed by a review of the extensive experimental work on different materials. The technological aspects of the state variable approach are highlighted by examples of the simulative and predictive capabilities of the theory. Finally, a discussion of general capabilities, limitations and future developments of the theory and particularly the possible extensions to cover an even wider range of deformation or deformation-related phenomena is presented.

  2. A Meme-Based Approach to Oral Traditional Theory

    Directory of Open Access Journals (Sweden)

    Michael D. C. Drout


    Full Text Available A meme is the simplest unit of cultural replication. This paper adapts meme theory to explain the workings of several aspects of oral traditions––traditional referentiality, anaphora, and the use of repeated metrical patterns. All three of these phenomena can be explained by operations of repetition and pattern-recognition. This paper ultimately illustrates that the development of meme theory is an important first step towards a wholly materialist cultural poetics.

  3. The Architecture of Viral Capsids Based on Tiling Theory


    Twarock, R.


    A vital constituent of a virus is its protein shell, called the viral capsid, that encapsulates and hence protects the viral genome. The surface structures of a large number of icosahedral viruses can be modelled via Caspar-Klug Theory, which has hence become one of the fundamental concepts in virology. However, growing experimental evidence have shown that a significant fraction of viruses falls out of the remit of this theory. Among them are the Papovaviridae, which are of particular intere...

  4. Trends in information theory-based chemical structure codification. (United States)

    Barigye, Stephen J; Marrero-Ponce, Yovani; Pérez-Giménez, Facundo; Bonchev, Danail


    This report offers a chronological review of the most relevant applications of information theory in the codification of chemical structure information, through the so-called information indices. Basically, these are derived from the analysis of the statistical patterns of molecular structure representations, which include primitive global chemical formulae, chemical graphs, or matrix representations. Finally, new approaches that attempt to go "back to the roots" of information theory, in order to integrate other information-theoretic measures in chemical structure coding are discussed.

  5. Toward a brain-based theory of beauty. (United States)

    Ishizu, Tomohiro; Zeki, Semir


    We wanted to learn whether activity in the same area(s) of the brain correlate with the experience of beauty derived from different sources. 21 subjects took part in a brain-scanning experiment using functional magnetic resonance imaging. Prior to the experiment, they viewed pictures of paintings and listened to musical excerpts, both of which they rated on a scale of 1-9, with 9 being the most beautiful. This allowed us to select three sets of stimuli--beautiful, indifferent and ugly--which subjects viewed and heard in the scanner, and rated at the end of each presentation. The results of a conjunction analysis of brain activity showed that, of the several areas that were active with each type of stimulus, only one cortical area, located in the medial orbito-frontal cortex (mOFC), was active during the experience of musical and visual beauty, with the activity produced by the experience of beauty derived from either source overlapping almost completely within it. The strength of activation in this part of the mOFC was proportional to the strength of the declared intensity of the experience of beauty. We conclude that, as far as activity in the brain is concerned, there is a faculty of beauty that is not dependent on the modality through which it is conveyed but which can be activated by at least two sources--musical and visual--and probably by other sources as well. This has led us to formulate a brain-based theory of beauty.

  6. Temperature Dependence in Homogeneous and Heterogeneous Nucleation

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  7. The ice nucleation activity of extremophilic algae

    Czech Academy of Sciences Publication Activity Database

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


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

  8. Binary nucleation of water and sodium chloride

    Czech Academy of Sciences Publication Activity Database

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


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

  9. Effect of Air Injection on Nucleation Rates

    DEFF Research Database (Denmark)

    Capellades Mendez, Gerard; Kiil, Søren; Dam-Johansen, Kim


    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...

  10. Homogeneous crystal nucleation in Ni droplets

    Czech Academy of Sciences Publication Activity Database

    Kožíšek, Zdeněk; Demo, Pavel


    Roč. 475, Oct (2017), s. 247-250 ISSN 0022-0248 R&D Projects: GA MŠk LD15004 Institutional support: RVO:68378271 Keywords : nucleation * crystallization * phase transition * nickel Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.751, year: 2016

  11. Surface nucleation in complex rheological systems (United States)

    Herfurth, J.; Ulrich, J.


    Forced nucleation induced by suitable foreign seeds is an important tool to control the production of defined crystalline products. The quality of a surface provided by seed materials represents an important variable in the production of crystallizing layers that means for the nucleation process. Parameters like shape and surface structure, size and size distribution of the seed particles as well as the ability to hold up the moisture (the solvent), can have an influence on the nucleation process of different viscous supersaturated solutions. Here the properties of different starch powders as seeds obtained from corn, potato, rice, tapioca and wheat were tested. It could be found, that the best nucleation behavior of a sugar solution could be reached with the use of corn starch as seed material. Here the surface of the crystallized sugar layer is smooth, crystallization time is short (<3 h) and the shape of the product is easily reproducible. Beneficial properties of seed materials are therefore an edged, uneven surface, small particle sizes as well as low moisture content at ambient conditions within the seed materials.

  12. Crystal nucleation kinetics in confined systems

    Czech Academy of Sciences Publication Activity Database

    Kožíšek, Zdeněk


    Roč. 15, č. 12 (2013), 2269-2274 ISSN 1466-8033 R&D Projects: GA ČR GAP108/12/0891 Institutional support: RVO:68378271 Keywords : nucleation * phase transtion Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.858, year: 2013

  13. A prediction method based on grey system theory in equipment condition based maintenance

    International Nuclear Information System (INIS)

    Yan, Shengyuan; Yan, Shengyuan; Zhang, Hongguo; Zhang, Zhijian; Peng, Minjun; Yang, Ming


    Grey prediction is a modeling method based on historical or present, known or indefinite information, which can be used for forecasting the development of the eigenvalues of the targeted equipment system and setting up the model by using less information. In this paper, the postulate of grey system theory, which includes the grey generating, the sorts of grey generating and the grey forecasting model, is introduced first. The concrete application process, which includes the grey prediction modeling, grey prediction, error calculation, equal dimension and new information approach, is introduced secondly. Application of a so-called 'Equal Dimension and New Information' (EDNI) technology in grey system theory is adopted in an application case, aiming at improving the accuracy of prediction without increasing the amount of calculation by replacing old data with new ones. The proposed method can provide a new way for solving the problem of eigenvalue data exploding in equal distance effectively, short time interval and real time prediction. The proposed method, which was based on historical or present, known or indefinite information, was verified by the vibration prediction of induced draft fan of a boiler of the Yantai Power Station in China, and the results show that the proposed method based on grey system theory is simple and provides a high accuracy in prediction. So, it is very useful and significant to the controlling and controllable management in safety production. (authors)

  14. Ice nucleating particles in the Saharan Air Layer

    Directory of Open Access Journals (Sweden)

    Y. Boose


    in INPs compared to the ambient aerosol. Overall, this suggests that atmospheric aging processes in the SAL can lead to an increase in ice nucleation ability of mineral dust from the Sahara. INP concentrations predicted with two common parameterization schemes, which were derived mostly from atmospheric measurements far away from the Sahara but influenced by Asian and Saharan dust, were found to be higher based on the aerosol load than we observed in the SAL, further suggesting aging effects of INPs in the SAL.

  15. Raman Optical Activity Spectra from Density Functional Perturbation Theory and Density-Functional-Theory-Based Molecular Dynamics. (United States)

    Luber, Sandra


    We describe the calculation of Raman optical activity (ROA) tensors from density functional perturbation theory, which has been implemented into the CP2K software package. Using the mixed Gaussian and plane waves method, ROA spectra are evaluated in the double-harmonic approximation. Moreover, an approach for the calculation of ROA spectra by means of density functional theory-based molecular dynamics is derived and used to obtain an ROA spectrum via time correlation functions, which paves the way for the calculation of ROA spectra taking into account anharmonicities and dynamic effects at ambient conditions.

  16. Some Basic Information on Information-Based Complexity Theory (United States)


    field. Another way to model some aspects of scientific computing was intro- duced in 1988 by L. Blum , M. Shub and S. Smale, [B1,Sh&Sm,1988]; Algebraic...331-346. [BI,Shu,&Sm,1988] Blum L., Shub M., Smale S., On a Theory of Computation over the Real Numbers; NP Completness, Recursive Functions, and Turing...COMPLEXITY THEORY Beresford Parlett Department of Mathematics ULrIve-• * y o’ Ca’,f,:’rnia , . Berkeley, California 94720 @J:TUo19920 92-27745 -- July 1989

  17. Theory of sampling and its application in tissue based diagnosis

    Directory of Open Access Journals (Sweden)

    Kayser Gian


    Full Text Available Abstract Background A general theory of sampling and its application in tissue based diagnosis is presented. Sampling is defined as extraction of information from certain limited spaces and its transformation into a statement or measure that is valid for the entire (reference space. The procedure should be reproducible in time and space, i.e. give the same results when applied under similar circumstances. Sampling includes two different aspects, the procedure of sample selection and the efficiency of its performance. The practical performance of sample selection focuses on search for localization of specific compartments within the basic space, and search for presence of specific compartments. Methods When a sampling procedure is applied in diagnostic processes two different procedures can be distinguished: I the evaluation of a diagnostic significance of a certain object, which is the probability that the object can be grouped into a certain diagnosis, and II the probability to detect these basic units. Sampling can be performed without or with external knowledge, such as size of searched objects, neighbourhood conditions, spatial distribution of objects, etc. If the sample size is much larger than the object size, the application of a translation invariant transformation results in Kriege's formula, which is widely used in search for ores. Usually, sampling is performed in a series of area (space selections of identical size. The size can be defined in relation to the reference space or according to interspatial relationship. The first method is called random sampling, the second stratified sampling. Results Random sampling does not require knowledge about the reference space, and is used to estimate the number and size of objects. Estimated features include area (volume fraction, numerical, boundary and surface densities. Stratified sampling requires the knowledge of objects (and their features and evaluates spatial features in relation to

  18. On the representation of immersion and condensation freezing in cloud models using different nucleation schemes

    Directory of Open Access Journals (Sweden)

    B. Ervens


    Full Text Available Ice nucleation in clouds is often observed at temperatures >235 K, pointing to heterogeneous freezing as a predominant mechanism. Many models deterministically predict the number concentration of ice particles as a function of temperature and/or supersaturation. Several laboratory experiments, at constant temperature and/or supersaturation, report heterogeneous freezing as a stochastic, time-dependent process that follows classical nucleation theory; this might appear to contradict deterministic models that predict singular freezing behavior.

    We explore the extent to which the choice of nucleation scheme (deterministic/stochastic, single/multiple contact angles θ affects the prediction of the fraction of frozen ice nuclei (IN and cloud evolution for a predetermined maximum IN concentration. A box model with constant temperature and supersaturation is used to mimic published laboratory experiments of immersion freezing of monodisperse (800 nm kaolinite particles (~243 K, and the fitness of different nucleation schemes. Sensitivity studies show that agreement of all five schemes is restricted to the narrow parameter range (time, temperature, IN diameter in the original laboratory studies, and that model results diverge for a wider range of conditions.

    The schemes are implemented in an adiabatic parcel model that includes feedbacks of the formation and growth of drops and ice particles on supersaturation during ascent. Model results for the monodisperse IN population (800 nm show that these feedbacks limit ice nucleation events, often leading to smaller differences in number concentration of ice particles and ice water content (IWC between stochastic and deterministic approaches than expected from the box model studies. However, because the different parameterizations of θ distributions and time-dependencies are highly sensitive to IN size, simulations using polydisperse IN result in great differences in predicted ice number

  19. Enhancing Student Learning in Knowledge-Based Courses: Integrating Team-Based Learning in Mass Communication Theory Classes (United States)

    Han, Gang; Newell, Jay


    This study explores the adoption of the team-based learning (TBL) method in knowledge-based and theory-oriented journalism and mass communication (J&MC) courses. It first reviews the origin and concept of TBL, the relevant theories, and then introduces the TBL method and implementation, including procedures and assessments, employed in an…

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

    International Nuclear Information System (INIS)

    Herlach, Dieter


    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.

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

    DEFF Research Database (Denmark)

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


    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 amorph...

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

    African Journals Online (AJOL)

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

  3. Detection of bubble nucleation event in superheated drop detector ...

    Indian Academy of Sciences (India)


    Dec 8, 2016 ... the low cost. The bubble nucleation event is detected by measuring the acoustic shock wave released dur- ing the nucleation process. The present work demonstrates the detection of bubble nucleation events by .... This noise level does not affect the characteristics or performance of the sensor–amplifier.

  4. Mechanism of cube grain nucleation during recrystallization of ...

    Indian Academy of Sciences (India)

    The subject of cube texture nucleation i.e. cube grain nucleation, from the deformed state of aluminium and copper is of scientific curiosity with concurrent technological implications. There are essentially two models currently in dispute over the mechanism of cube grain nucleation i.e. the differential stored energy model ...

  5. 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.


    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

  6. A density functional theory-based chemical potential equalisation ...

    Indian Academy of Sciences (India)


    of the conceptual framework in this direction. Thus, a perturbation theory of chemical binding has been developed17–20 where the concept of chemical potential equalisation4,5 (CPE) has been generalised to include the concept of bond chemical potential,17,18 spin- polarised electronegativity19,20 etc., thereby incorpo-.

  7. Videogames, Tools for Change: A Study Based on Activity Theory (United States)

    Méndez, Laura; Lacasa, Pilar


    Introduction: The purpose of this study is to provide a framework for analysis from which to interpret the transformations that take place, as perceived by the participants, when commercial video games are used in the classroom. We will show how Activity Theory (AT) is able to explain and interpret these changes. Method: Case studies are…

  8. Effective Contraceptive Use: An Exploration of Theory-Based Influences (United States)

    Peyman, N.; Oakley, D.


    The purpose of this study was to explore factors that influence oral contraceptive (OC) use among women in Iran using the Theory of Planned Behavior (TPB) and concept of self-efficacy (SE). The study sample consisted of 360 married OC users, aged 18-49 years recruited at public health centers of Mashhad, 900 km east of Tehran. SE had the strongest…

  9. Nucleation and diffusion-controlled growth of electroactive centers

    Energy Technology Data Exchange (ETDEWEB)

    Palomar-Pardave, M. [Universidad Autonoma Metropolitana-Azcapotzalco, Departamento de Materiales, C.P. 02200 Mexico, D.F. (Mexico)]. E-mail:; Scharifker, B.R. [Universidad Simon Bolivar, Departamento de Quimica, Apartado 89000, Caracas 1080A (Venezuela); Arce, E.M. [Instituto Politecnico Nacional-ESIQIE, Departamento de Ingenieria Metalurgica, Apartado 75-876, C.P. 07300 Mexico, D.F. (Mexico); Romero-Romo, M. [Universidad Autonoma Metropolitana-Azcapotzalco, Departamento de Materiales, C.P. 02200 Mexico, D.F. (Mexico)


    A theory is presented describing, for the first time, the temporal evolution of the fractional surface area, S(t), of 3D non-interacting nuclei growing at a rate limited by diffusion of electrodepositing ions onto substrates of a different nature. Likewise, an equation has been derived describing the potentiostatic current-time transients arising from the formation and growth of such nuclei with redox reactions occurring simultaneously on their surfaces. An equation is also proposed to describe the current due to redox reactions taking place on the surface of interacting growing nuclei. The latter is used to describe the experimental current transients recorded during nucleation and growth of cobalt at applied potentials where the proton reduction reaction occurs simultaneously with the electrocrystallization process.

  10. Nucleation and growth of the Naica giant gypsum crystals. (United States)

    Otálora, Fermín; García-Ruiz, JuanMa


    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.

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

    DEFF Research Database (Denmark)

    Enghoff, Martin Andreas Bødker

    rays and Earth's climate and there is thus a need to corroborate the results in a different experiment. The present results are obtained in the same laboratory, but using a new setup The experiments were conducted in a 50 L cylindrical reaction chamber made of electropolished stainless steel. Aerosols...... were grown using photochemically produced sulphuric acid and ionization levels were controlled with a Cs-137 gamma-source. An increase in nucleation was observed when the chamber was exposed to the radioactive source. The results were analyzed using a model based on the General Dynamic Equation...

  12. Sensitivity theory for reactor burnup analysis based on depletion perturbation theory

    International Nuclear Information System (INIS)

    Yang, Wonsik.


    The large computational effort involved in the design and analysis of advanced reactor configurations motivated the development of Depletion Perturbation Theory (DPT) for general fuel cycle analysis. The work here focused on two important advances in the current methods. First, the adjoint equations were developed for using the efficient linear flux approximation to decouple the neutron/nuclide field equations. And second, DPT was extended to the constrained equilibrium cycle which is important for the consistent comparison and evaluation of alternative reactor designs. Practical strategies were formulated for solving the resulting adjoint equations and a computer code was developed for practical applications. In all cases analyzed, the sensitivity coefficients generated by DPT were in excellent agreement with the results of exact calculations. The work here indicates that for a given core response, the sensitivity coefficients to all input parameters can be computed by DPT with a computational effort similar to a single forward depletion calculation


    Directory of Open Access Journals (Sweden)

    Andreea IANCU


    Full Text Available This paper analyzes the Responsibility to protect principle as the paradigm that reinforces the just war theory in the current international relations. The importance of this analysis is given by the fact that in the current change of source of international conflicts, the Responsibility to protect principle affirms the responsibility of the international community to protect all the citizens of the world. In this context we witness a translation toward a Post-Westphalian international system, which values the individual as a security referent. This article discusses the origins of the responsibility to protect principle and problematizes (discusses the legitimacy of use of violence and force in the current international system. Moreover, the paper analyzes the possible humanization of the current international relations and, simultaneously, the persistency of conflict and warfare in the international system. The conclusion of this research states that the Responsibility to protect principle revises the just war theory by centering it on the individual.

  14. Buckled graphene: A model study based on density functional theory

    KAUST Repository

    Khan, Yasser


    We make use of ab initio calculations within density functional theory to investigate the influence of buckling on the electronic structure of single layer graphene. Our systematic study addresses a wide range of bond length and bond angle variations in order to obtain insights into the energy scale associated with the formation of ripples in a graphene sheet. © 2010 Elsevier B.V. All rights reserved.

  15. Information Theory based Feature Selection for Customer Classification


    Barraza, Néstor Rubén; Moro, Sergio; Ferreyra, Marcelo; de la Peña, Adolfo


    The application of Information Theory techniques in customer feature selection is analyzed. This method, usually called information gain has been demonstrated to be simple and fast for feature selection. The important concept of mutual information, originally introduced to analyze and model a noisy channel is used in order to measure relations between characteristics of given customers. An application to a bank customers data set of telemarketing calls for selling bank long-term deposits is s...

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

    Directory of Open Access Journals (Sweden)

    F. Yu


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

  17. Circuit theory and model-based inference for landscape connectivity (United States)

    Hanks, Ephraim M.; Hooten, Mevin B.


    Circuit theory has seen extensive recent use in the field of ecology, where it is often applied to study functional connectivity. The landscape is typically represented by a network of nodes and resistors, with the resistance between nodes a function of landscape characteristics. The effective distance between two locations on a landscape is represented by the resistance distance between the nodes in the network. Circuit theory has been applied to many other scientific fields for exploratory analyses, but parametric models for circuits are not common in the scientific literature. To model circuits explicitly, we demonstrate a link between Gaussian Markov random fields and contemporary circuit theory using a covariance structure that induces the necessary resistance distance. This provides a parametric model for second-order observations from such a system. In the landscape ecology setting, the proposed model provides a simple framework where inference can be obtained for effects that landscape features have on functional connectivity. We illustrate the approach through a landscape genetics study linking gene flow in alpine chamois (Rupicapra rupicapra) to the underlying landscape.

  18. Physics of aerosols - Second part: nucleation-condensation-ions-electrification-optical properties

    International Nuclear Information System (INIS)

    Bricard, Jean


    This report is made of two volumes. Volume 1 includes the general properties of aerosols, the fundamentals of the theory of gases and mechanics are related to particle suspensions, ant the theories of diffusion and coagulation with their applications to atmospheric aerosols. Volume 2 begins with a chapter on nucleation (gas-particle conversion) in the case of one vapor, then two vapors, followed by the theory of aerosol evaporation. The following two chapters are devoted to the study of ions and their attachment to aerosol particles. Finally their optical properties are stated in the last chapter

  19. Towards a Theory for Strategic Posture in New Technology Based Firms


    Héctor Montiel-Campos; Gerardo Haces-Atondo; Madet Ruiseñor-Quintero


    This paper elaborates a theory from the existing literature on subjects about entrepreneurship, strategy and innovation. Dubin’s methodology approach is used in order to develop a theory that helps better understand the strategic posture adopted by a New Technology Based Firm in its competitive environment. The theory proposes the competitive context conditions as precedents of the dominant logic and the technology strategy, which, in turn, influence in the competitive behavior adopted by the...

  20. The Theory and Empirical Research of Customer Marketing Based on Satisfaction


    Jingdong Chen; Yidan Liu


    With the richness of product and complexity of customer buying behavior, the limitation of marketing theory has become increasingly prominent and customer marketing theory is extensive attention. Research of customer satisfaction greatly promoted the development of customer marketing, but the existing research emphasize the customer satisfaction of the results and feedback effects, but oversight its core link role. Based on the existed theory and practice, this study aims to find the way to a...

  1. Diffraction-based optical filtering: Theory and implementation with MEMS (United States)

    Belikov, Ruslan

    An important functionality in many optical systems is to manipulate the spectral content of light. Diffractive optics has been used widely for this purpose. Typically, in such systems a diffractive element essentially acts as an optical filter on the incident beam of light. However, no comprehensive theory of this type of filtering existed. Furthermore, recent advances in MEMS technology have enabled reconfigurable diffractive optical elements, which make it possible to create programmable spectral filters. Such devices can lead to significant advances in many applications and enable new classes of optical instruments and systems. Hence, a need arose to develop an understanding of the capabilities and limitations of such devices. The theory presented in this work answers three main questions: (1) how does one synthesize a diffractive optical element (DOE) for a desired filter; (2) what are the capabilities and limitations on such filters; and (3) what is the best device to use? We present two analytical algorithms to compute the DOE for any complex-valued linear filter, and thus answer question 1. The theory also leads to an understanding that there are fundamental trade-offs between filter complexity, power, error, and spectral range, which answers question 2. We then show that a fully arbitrary DOE is very redundant as a filter, and that we can maintain full functionality by a much simpler device, answering question 3. We then apply the theory to existing devices, which leads to the understanding of their capabilites and limitations. Furthermore, the theory led to the discovery that some well-known MEMS devices, such as the Texas Instruments DMD array, can be used as arbitrary spectral filters. Using the DMD, we demonstrate three applications that can benefit from this technology: correlation spectroscopy, femtosecond pulseshaping, and tunable lasers. In all three applications, we enable functionality never achieved before. The most significant achievement is our

  2. Nucleation of (4)R brane universes

    International Nuclear Information System (INIS)

    Cordero, Ruben; Rojas, EfraIn


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

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  4. Images and properties of individual nucleated particles (United States)

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


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

  5. Leipzig Ice Nucleation chamber Comparison (LINC): intercomparison of four online ice nucleation counters (United States)

    Burkert-Kohn, Monika; Wex, Heike; Welti, André; Hartmann, Susan; Grawe, Sarah; Hellner, Lisa; Herenz, Paul; Atkinson, James D.; Stratmann, Frank; Kanji, Zamin A.


    Ice crystal formation in atmospheric clouds has a strong effect on precipitation, cloud lifetime, cloud radiative properties, and thus the global energy budget. Primary ice formation above 235 K is initiated by nucleation on seed aerosol particles called ice-nucleating particles (INPs). Instruments that measure the ice-nucleating potential of aerosol particles in the atmosphere need to be able to accurately quantify ambient INP concentrations. In the last decade several instruments have been developed to investigate the ice-nucleating properties of aerosol particles and to measure ambient INP concentrations. Therefore, there is a need for intercomparisons to ensure instrument differences are not interpreted as scientific findings.In this study, we intercompare the results from parallel measurements using four online ice nucleation chambers. Seven different aerosol types are tested including untreated and acid-treated mineral dusts (microcline, which is a K-feldspar, and kaolinite), as well as birch pollen washing waters. Experiments exploring heterogeneous ice nucleation above and below water saturation are performed to cover the whole range of atmospherically relevant thermodynamic conditions that can be investigated with the intercompared chambers. The Leipzig Aerosol Cloud Interaction Simulator (LACIS) and the Portable Immersion Mode Cooling chAmber coupled to the Portable Ice Nucleation Chamber (PIMCA-PINC) performed measurements in the immersion freezing mode. Additionally, two continuous-flow diffusion chambers (CFDCs) PINC and the Spectrometer for Ice Nuclei (SPIN) are used to perform measurements below and just above water saturation, nominally presenting deposition nucleation and condensation freezing.The results of LACIS and PIMCA-PINC agree well over the whole range of measured frozen fractions (FFs) and temperature. In general PINC and SPIN compare well and the observed differences are explained by the ice crystal growth and different residence times in

  6. The development of training based on the PM leadership theory

    International Nuclear Information System (INIS)

    Yoshida, Michio; Misumi, Jyuji; Yamada, Akira; Misumi, Emiko; Sakurai, Yukihiro; Kinjo, Akira; Matsuda, Ryosuke; Matsuo, Hidehisa; Tokudome, Eiji.


    The PM leadership theory developed by Misumi, et al., basically identifies leadership behavior in terms of two dimensions, i.e., P(Performance) behavior and M(Maintenance) behavior, and divides it into four types, PM, M, P and pm, depending on the degree to which each of them performs its behavior. Thus, it has been verified that the differences between these types have an effect on various variables, such as subordinates' morale, productivity and reduced incidence of accidents. To be more concrete, it has been consistently found as a result of a number of studies that what brings about the most desirable results in the eyes of organizations is the PM type, followed by M, P and pm in the order mentioned. The most basic premise for the PM theory is that leadership lies not in the leader's personal traits but in his behavior. Consequently, any leadership type is not 'carved in stone', and it can change according to the leader's behavior. From this, it follows that leadership can be improved and upgraded. As the PM leadership theory has become well-established, the development research and implementation of leadership training aimed at improving and upgrading leadership was launched. In this paper, the leadership training that is now in progress will be discussed, with particular reference to its purpose, current status of its overall progress and its typical training schedule. That done, the history of development of the leadership training will be reviewed, and at the same time, its effects will be examined on the basis of some empirical data. Also some proposals will be presented concerning the relationship between organizational development and training as well as some problems to be addressed in the future. (author)

  7. Fuel management optimization based on generalized perturbation theory

    International Nuclear Information System (INIS)

    White, J.R.; Chapman, D.M.; Biswas, D.


    A general methodology for optimization of assembly shuffling and burnable poison (BP) loadings for LWR reload design has been developed. The uniqueness of this approach lies in the coupling of Generalized Perturbation Theory (GPT) methods and standard Integer Programming (IP) techniques. An IP algorithm can simulate the discrete nature of the fuel shuffling and BP loading problems, and the use of GPT sensitivity data provides an efficient means for modeling the behavior of the important core performance parameters. The method is extremely flexible since the choice of objective function and the number and mix of constraints depend only on the ability of GPT to determine the appropriate sensitivity functions

  8. A curvature theory for discrete surfaces based on mesh parallelity

    KAUST Repository

    Bobenko, Alexander Ivanovich


    We consider a general theory of curvatures of discrete surfaces equipped with edgewise parallel Gauss images, and where mean and Gaussian curvatures of faces are derived from the faces\\' areas and mixed areas. Remarkably these notions are capable of unifying notable previously defined classes of surfaces, such as discrete isothermic minimal surfaces and surfaces of constant mean curvature. We discuss various types of natural Gauss images, the existence of principal curvatures, constant curvature surfaces, Christoffel duality, Koenigs nets, contact element nets, s-isothermic nets, and interesting special cases such as discrete Delaunay surfaces derived from elliptic billiards. © 2009 Springer-Verlag.

  9. Involving Stakeholders in Programme Theory Specification: Discussion of a Systematic, Consensus-Based Approach (United States)

    van Urk, Felix; Grant, Sean; Bonell, Chris


    The use of explicit programme theory to guide evaluation is widely recommended. However, practitioners and other partnering stakeholders often initiate programmes based on implicit theories, leaving researchers to explicate them before commencing evaluation. The current study aimed to apply a systematic method to undertake this process. We…

  10. Curriculum Design for Junior Life Sciences Based Upon the Theories of Piaget and Skiller. Final Report. (United States)

    Pearce, Ella Elizabeth

    Four seventh grade life science classes, given curriculum materials based upon Piagetian theories of intellectual development and Skinner's theories of secondary reinforcement, were compared with four control classes from the same school districts. Nine students from each class, who(at the pretest) were at the concrete operations stage of…

  11. Social Learning Theory Parenting Intervention Promotes Attachment-Based Caregiving in Young Children: Randomized Clinical Trial (United States)

    O'Connor, Thomas G.; Matias, Carla; Futh, Annabel; Tantam, Grace; Scott, Stephen


    Parenting programs for school-aged children are typically based on behavioral principles as applied in social learning theory. It is not yet clear if the benefits of these interventions extend beyond aspects of the parent-child relationship quality conceptualized by social learning theory. The current study examined the extent to which a social…

  12. Cooperative Learning: Improving University Instruction by Basing Practice on Validated Theory (United States)

    Johnson, David W.; Johnson, Roger T.; Smith, Karl A.


    Cooperative learning is an example of how theory validated by research may be applied to instructional practice. The major theoretical base for cooperative learning is social interdependence theory. It provides clear definitions of cooperative, competitive, and individualistic learning. Hundreds of research studies have validated its basic…

  13. Organizational Communication Based on Organizational Justice Theory for Motivating Workers with Different Cultural Values




    This study is based on organizational justice theory. Although organizational justice theory is useful for explaining organizational behavior, it has not focused on motivation, per se. ln this study, the linkage between organizational justice and motivation is explored with the mediating effect of interpersonal communication in an organization (i.e.,organizational communication).

  14. Applying Ecological Theory to Advance the Science and Practice of School-Based Prejudice Reduction Interventions (United States)

    McKown, Clark


    Several school-based racial prejudice-reduction interventions have demonstrated some benefit. Ecological theory serves as a framework within which to understand the limits and to enhance the efficacy of prejudice-reduction interventions. Using ecological theory, this article examines three prejudice-reduction approaches, including social cognitive…

  15. Brief Instrumental School-Based Mentoring for Middle School Students: Theory and Impact (United States)

    McQuillin, Samuel D.; Lyons, Michael D.


    This study evaluated the efficacy of an intentionally brief school-based mentoring program. This academic goal-focused mentoring program was developed through a series of iterative randomized controlled trials, and is informed by research in social cognitive theory, cognitive dissonance theory, motivational interviewing, and research in academic…

  16. The TEACH Method: An Interactive Approach for Teaching the Needs-Based Theories Of Motivation (United States)

    Moorer, Cleamon, Jr.


    This paper describes an interactive approach for explaining and teaching the Needs-Based Theories of Motivation. The acronym TEACH stands for Theory, Example, Application, Collaboration, and Having Discussion. This method can help business students to better understand and distinguish the implications of Maslow's Hierarchy of Needs,…

  17. Inorganic Nanoparticle Nucleation on Polymer Matrices (United States)

    Kosteleski, Adrian John

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

  18. Computer-based teaching module design: principles derived from learning theories. (United States)

    Lau, K H Vincent


    The computer-based teaching module (CBTM), which has recently gained prominence in medical education, is a teaching format in which a multimedia program serves as a single source for knowledge acquisition rather than playing an adjunctive role as it does in computer-assisted learning (CAL). Despite empirical validation in the past decade, there is limited research into the optimisation of CBTM design. This review aims to summarise research in classic and modern multimedia-specific learning theories applied to computer learning, and to collapse the findings into a set of design principles to guide the development of CBTMs. Scopus was searched for: (i) studies of classic cognitivism, constructivism and behaviourism theories (search terms: 'cognitive theory' OR 'constructivism theory' OR 'behaviourism theory' AND 'e-learning' OR 'web-based learning') and their sub-theories applied to computer learning, and (ii) recent studies of modern learning theories applied to computer learning (search terms: 'learning theory' AND 'e-learning' OR 'web-based learning') for articles published between 1990 and 2012. The first search identified 29 studies, dominated in topic by the cognitive load, elaboration and scaffolding theories. The second search identified 139 studies, with diverse topics in connectivism, discovery and technical scaffolding. Based on their relative representation in the literature, the applications of these theories were collapsed into a list of CBTM design principles. Ten principles were identified and categorised into three levels of design: the global level (managing objectives, framing, minimising technical load); the rhetoric level (optimising modality, making modality explicit, scaffolding, elaboration, spaced repeating), and the detail level (managing text, managing devices). This review examined the literature in the application of learning theories to CAL to develop a set of principles that guide CBTM design. Further research will enable educators to

  19. Assembly models for Papovaviridae based on tiling theory. (United States)

    Keef, T; Taormina, A; Twarock, R


    A vital constituent of a virus is its protein shell, called the viral capsid, that encapsulates and hence provides protection for the viral genome. Assembly models are developed for viral capsids built from protein building blocks that can assume different local bonding structures in the capsid. This situation occurs, for example, for viruses in the family of Papovaviridae, which are linked to cancer and are hence of particular interest for the health sector. More specifically, the viral capsids of the (pseudo-) T = 7 particles in this family consist of pentamers that exhibit two different types of bonding structures. While this scenario cannot be described mathematically in terms of Caspar-Klug theory (Caspar D L D and Klug A 1962 Cold Spring Harbor Symp. Quant. Biol. 27 1), it can be modelled via tiling theory (Twarock R 2004 J. Theor. Biol. 226 477). The latter is used to encode the local bonding environment of the building blocks in a combinatorial structure, called the assembly tree, which is a basic ingredient in the derivation of assembly models for Papovaviridae along the lines of the equilibrium approach of Zlotnick (Zlotnick A 1994 J. Mol. Biol. 241 59). A phase space formalism is introduced to characterize the changes in the assembly pathways and intermediates triggered by the variations in the association energies characterizing the bonds between the building blocks in the capsid. Furthermore, the assembly pathways and concentrations of the statistically dominant assembly intermediates are determined. The example of Simian virus 40 is discussed in detail.

  20. Strong Generative Capacity and the Empirical Base of Linguistic Theory

    Directory of Open Access Journals (Sweden)

    Dennis Ott


    Full Text Available This Perspective traces the evolution of certain central notions in the theory of Generative Grammar (GG. The founding documents of the field suggested a relation between the grammar, construed as recursively enumerating an infinite set of sentences, and the idealized native speaker that was essentially equivalent to the relation between a formal language (a set of well-formed formulas and an automaton that recognizes strings as belonging to the language or not. But this early view was later abandoned, when the focus of the field shifted to the grammar's strong generative capacity as recursive generation of hierarchically structured objects as opposed to strings. The grammar is now no longer seen as specifying a set of well-formed expressions and in fact necessarily constructs expressions of any degree of intuitive “acceptability.” The field of GG, however, has not sufficiently acknowledged the significance of this shift in perspective, as evidenced by the fact that (informal and experimentally-controlled observations about string acceptability continue to be treated as bona fide data and generalizations for the theory of GG. The focus on strong generative capacity, it is argued, requires a new discussion of what constitutes valid empirical evidence for GG beyond observations pertaining to weak generation.

  1. Thermal rectification based on phonon hydrodynamics and thermomass theory

    Directory of Open Access Journals (Sweden)

    Dong Yuan


    Full Text Available The thermal diode is the fundamental device for phononics. There are various mechanisms for thermal rectification, e.g. different temperature dependent thermal conductivity of two ends, asymmetric interfacial resistance, and nonlocal behavior of phonon transport in asymmetric structures. The phonon hydrodynamics and thermomass theory treat the heat conduction in a fluidic viewpoint. The phonon gas flowing through the media is characterized by the balance equation of momentum, like the Navier-Stokes equation for fluid mechanics. Generalized heat conduction law thereby contains the spatial acceleration (convection term and the viscous (Laplacian term. The viscous term predicts the size dependent thermal conductivity. Rectification appears due to the MFP supersession of phonons. The convection term also predicts rectification because of the inertia effect, like a gas passing through a nozzle or diffuser.

  2. Harmonious graphics generating based on the 1/f function theory

    International Nuclear Information System (INIS)

    Mao Xia; Xue Yuli; Cheng, L.-L.; Sun Yun


    In the 1970s, Richard Voss and John Clarke researched the actual audio physical sound of music. There are three types of noise: white noise, 1/f noise, and Brownian motion noise (1/f 2 ). 1/f noise is found to be most pleasing to human ears. White noise is too random and Brownian noise is too correlated. Similarly, for 2-dimensional sources such as graphics and images, three characteristics of monotonous, harmony and muss are also observed. The 1/f fluctuation theory provides a good way to generate affective signals both for 1-dimensional and 2-dimensional signals. This paper provides an algorithm which can generate affective patterns or graphics and obey the criteria of affective information processing

  3. [Nursing managerial approach: a study based on general management theories]. (United States)

    Fernandes, Marcia Simoni; Spagnol, Carla Aparecida; Trevizan, Maria Auxiliadora; Hayashida, Miyeko


    The purpose of this study was to identify nurses managerial conduct in a private maternity hospital located in the interior of the São Paulo state, Brazil. In order to collect data, authors used a questionnaire with 20 propositions related to the work of nurses in the different units of the hospital. Following, authors performed a descriptive statistical analysis of the data. Results showed a tendency toward democratization in the conduct of the nurses investigated as the majority of the responses privileged questions on team work, workers' participation and group development. Also, authors evidenced that great part of the responses did not agree with the propositions about the principles of the Classical Administration Theory.

  4. A queueing theory based model for business continuity in hospitals. (United States)

    Miniati, R; Cecconi, G; Dori, F; Frosini, F; Iadanza, E; Biffi Gentili, G; Niccolini, F; Gusinu, R


    Clinical activities can be seen as results of precise and defined events' succession where every single phase is characterized by a waiting time which includes working duration and possible delay. Technology makes part of this process. For a proper business continuity management, planning the minimum number of devices according to the working load only is not enough. A risk analysis on the whole process should be carried out in order to define which interventions and extra purchase have to be made. Markov models and reliability engineering approaches can be used for evaluating the possible interventions and to protect the whole system from technology failures. The following paper reports a case study on the application of the proposed integrated model, including risk analysis approach and queuing theory model, for defining the proper number of device which are essential to guarantee medical activity and comply the business continuity management requirements in hospitals.

  5. An Architecturally-Based Theory of Human Sentence Comprehension (United States)


    preferences Ford, Br-esnan, and Kaplan (1982) proposed a theory of ambiguity resolution motivated by their data on lexical preferences (§2.3.2). The lexical...con’ inw, be, l’ har rce,:;rs haii! awv. I o’iAi tI %8) ~ o-ýý, am-I i ;0db C 1) ii il ’! cc :om)WTk.). 1C (6 mA1 T aid he l it Ii I ’i’ 𔃿cl W!)I[ii...phrase, which is necessary to make the zero-level A node available for the n:ominal derivation7. Ford, Bresnan. and Kaplan (1982) used another derived

  6. Vulnerability Analysis of CSP Based on Stochastic Game Theory

    Directory of Open Access Journals (Sweden)

    Jiajun Shen


    Full Text Available With the development of industrial informatization, the industrial control network has gradually become much accessible for attackers. A series of vulnerabilities will therefore be exposed, especially the vulnerability of exclusive industrial communication protocols (ICPs, which has not yet been attached with enough emphasis. In this paper, stochastic game theory is applied on the vulnerability analysis of clock synchronization protocol (CSP, one of the pivotal ICPs. The stochastic game model is built strictly according to the protocol with both Man-in-the-Middle (MIM attack and dependability failures being taken into account. The situation of multiple attack routes is considered for depicting the practical attack scenarios, and the introduction of time aspect characterizes the success probabilities of attackers actions. The vulnerability analysis is then realized through determining the optimal strategies of attacker under different states of system, respectively.

  7. Simplified theory of plastic zones based on Zarka's method

    CERN Document Server

    Hübel, Hartwig


    The present book provides a new method to estimate elastic-plastic strains via a series of linear elastic analyses. For a life prediction of structures subjected to variable loads, frequently encountered in mechanical and civil engineering, the cyclically accumulated deformation and the elastic plastic strain ranges are required. The Simplified Theory of Plastic Zones (STPZ) is a direct method which provides the estimates of these and all other mechanical quantities in the state of elastic and plastic shakedown. The STPZ is described in detail, with emphasis on the fact that not only scientists but engineers working in applied fields and advanced students are able to get an idea of the possibilities and limitations of the STPZ. Numerous illustrations and examples are provided to support the reader's understanding.

  8. Towards Enterprise Integration Performance Assessment based on Category Theory (United States)

    Mikhnovsky, Victoria; Ormandjieva, Olga

    A major difference between what we refer to as a "well-developed" science, such as civil engineering, and sciences which are less so, like enterprise engineering, is the degree to which nonfunctional requirements, such as performance, are integrated into the design and development process, and satisfaction of those requirements is controlled by theoretically valid measurement procedures. This paper introduces the preliminary results, which are aimed at developing a concise formal framework for enterprise performance modeling, measurement, and control during enterprise integration activities. The novelty of this research consists in employing the mathematical category theory for modeling purposes, an approach that is broad enough to formally capture heterogeneous (structural, functional and nonfunctional) requirements, by, for example, using the constructs from the graphical categorical formal language.

  9. Comparative study of ice nucleating efficiency of K-feldspar in immersion and deposition freezing modes (United States)

    Hiron, T.; Hoffmann, N.; Peckhaus, A.; Kiselev, A. A.; Leisner, T.; Flossmann, A. I.


    One of the main challenges in understanding the evolution of Earth's climate resides in the understanding the role of ice nucleation on the development of tropospheric clouds as well as its initiation. K-feldspar is known to be a very active ice nucleating particle and this study focuses on the characterization of its activity in two heterogeneous nucleation modes, immersion and deposition freezing.We use a newly built humidity-controlled cold stage allowing the simultaneous observation of up to 2000 identical 0.6-nanoliter droplets containing suspension of mineral dust particles. The droplets are first cooled down to observe immersion freezing, the obtained ice crystals are then evaporated and finally, the residual particles are exposed to the water vapor supersaturated with respect to ice.The ice nucleation abilities for the individual residual particles are then compared for the different freezing modes and correlation between immersion ice nuclei and deposition ice nuclei is investigated.Based on the electron microscopy analysis of the residual particles, we discuss the possible relationship between the ice nucleation properties of feldspar and its microstructure. Finally, we discuss the atmospheric implications of our experimental results, using DESCAM, a 1.5D bin-resolved microphysics model.

  10. Basic Study for Active Nucleation Site Density Evaluation in Subcooled Flow Boiling

    International Nuclear Information System (INIS)

    Chu, In Cheol; Song, Chul Hwa


    Numerous studies have been performed on a active nucleation site density (ANSD) due to its governing influence on a heat transfer. However, most of the studies were focused on pool boiling conditions. Kocamustafaogullari and Ishii developed an ANSD correlation from a parametric study of the existing pool boiling data. Also, they extended the correlation to a convective flow boiling condition by adopting the nucleation suppression factor of Chen's heat transfer correlation. However, the appropriateness of applying the Chen's suppression factor to an ANSD correlation was not fully validated because there was not enough experimental data on ANSD in the forced convective flow boiling. Basu et al. performed forced convective boiling experiments and proposed a correlation of ANSD which is the only correlation based on experimental data for a forced convective boiling. They concluded that the ANSD is only dependent on the static contact angle and the wall superheat, and is independent of the flow rate and the subcooling, which contradict the general acceptance of the nucleation suppression in the forced convective boiling. It seems that no reliable ANSD correlation or model is available for a forced convective boiling. In the present study, the effect of the flow velocity on the suppression of the nucleation site was examined, and the effectiveness of a Brewster reflection technique for the identification of the nucleation site was also examined

  11. Bubble Lift-off Diameter and Nucleation Frequency in Vertical Subcooled Boiling Flow

    International Nuclear Information System (INIS)

    Chu, In Cheol; Lee, S. T.; Cho, Y. I.; Song, C. H.


    A series of experiments was carried out to investigate the bubble nucleation to lift-off phenomena for subcooled boiling flow in a vertical annulus channel. A high speed digital video camera was used to capture the dynamics of bubbles. The bubble lift-off diameter and the bubble nucleation frequency were evaluated in terms of heat flux, mass flux, and degree of subcooling. The fundamental features of the lift-off diameter and the nucleation frequency (i.e., the variations across nucleation sites and the dependence on the flow and heat flux conditions) were addressed based on the present observation. A database for the bubble lift-off diameter was built by gathering and summarizing the data of Prodanovic et al., Situ et al., and the present experiments. We evaluated the predictive capabilities of Unal's model, Situ et al.'s model, and Prodanovic et al.'s correlation against the database. We obtained the best prediction results through modifying the wall superheat correlation in Unal's model. In addition, we suggested a new correlation for a combined parameter of the bubble nucleation frequency and the bubble lift-off diameter

  12. Non-equilibrium phase stabilization versus bubble nucleation at a nanoscale-curved Interface (United States)

    Schiffbauer, Jarrod; Luo, Tengfei

    Using continuum dynamic van der Waals theory in a radial 1D geometry with a Lennard-Jones fluid model, we investigate the nature of vapor bubble nucleation near a heated, nanoscale-curved convex interface. Vapor bubble nucleation and growth are observed for interfaces with sufficiently large radius of curvature while phase stabilization of a superheated fluid layer occurs at interfaces with smaller radius. The hypothesis that the high Laplace pressure required for stable equilibrium of very small bubbles is responsible for phase stability is tested by effectively varying the parameter which controls liquid-vapor surface tension. In doing so, the liquid-vapor surface tension- hence Laplace pressure-is shown to have limited effect on phase stabilization vs. bubble nucleation. However, the strong dependence of nucleation on leading-order momentum transport, i.e. viscous dissipation, near the heated inner surface is demonstrated. We gratefully acknowledge ND Energy for support through the ND Energy Postdoctoral Fellowship program and the Army Research Office, Grant No. W911NF-16-1-0267, managed by Dr. Chakrapani Venanasi.

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

    International Nuclear Information System (INIS)

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


    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

  14. Nucleation kinetics of the formation of low dimensional calcium sulfate dihydrate crystals in isopropyl alcohol medium

    Energy Technology Data Exchange (ETDEWEB)

    Sandhya, S.; Sureshbabu, S.; Varma, H.K.; Komath, Manoj [Biomedical Technology Wing, Sree Chitra Tirunal Institute for Medical Sciences and Technology, Trivandrum 695 012 (India)


    Calcium sulfate dihydrate, constituted as uniform crystals of low dimensions, is a potential biomaterial for clinical applications like bone graft substitution and drug delivery. In this work, isopropyl alcohol has been used as a solvent to obtain low dimensional calcium sulfate dihydrate crystals from calcium nitrate - sulfuric acid system. Reactants in 0.5 molar concentration at ambient conditions generated uniform rod-shaped crystals of length 3-5 {mu}m. Analysis using X-ray Diffractometry and Fourier Transform Infrared Spectrometry showed the material to be well crystallized, phase-pure calcium sulfate dihydrate. The nucleation kinetics has been studied by observing the induction time of phase formation in solutions of millimolar concentrations through turbidimetry at 300 K. The data have been analysed using classical nucleation theory to deduce parameters like interfacial tension (or surface free energy), nucleation rate and critical radius. The surface free energy obtained (5.6 mJ/m{sup 2}) is comparatively lower than that reported for aqueous precipitation, which could be attributed to the presence of isopropyl alcohol. On escalating the supersaturation ratio, the nucleation rate drastically increased and the critical radius decreased exponentially. Particles formed at supersaturation 1.39 showed a monomodal distribution centered at 8.2 nm in Dynamic Light Scattering analysis. Comparable particle sizes were obtained in Transmission Electron Microscopy. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Nucleation kinetics of polymorphic transition from phase II to phase III of hexachloroethane: Metastability/unstability (United States)

    Koga, Yoshikata


    The conversions of the transition from phase II to III of C 2Cl 6 were measured for the range between 38.81 and 41.15°C (the transition point: 43.64°C). A simple model was devised appropriate to the present mononucleus transition. Using this, the induction periods, that are inversely proportional to the nucleation rates, were extracted from the observed curves. The resulting induction periods varied from 0.07 to 1500 h. In terms of the classical nucleation theory, though its applicability for such a wide variation is questionable, it was shown that there are two temperature regions bounded at about 40.8°C in which nucleation behaviours are different. As shown in the previous papers, the growth rates of the same transition were too fast to measure below a certain threshold temperature which was lower than 41.9°C. These threshold behaviours in nucleation and growth were tentatively attributed to the change-over from metastability to unstability.

  16. Surface Water Quality Evaluation Based on a Game Theory-Based Cloud Model

    Directory of Open Access Journals (Sweden)

    Bing Yang


    Full Text Available Water quality evaluation is an essential measure to analyze water quality. However, excessive randomness and fuzziness affect the process of evaluation, thus reducing the accuracy of evaluation. Therefore, this study proposed a cloud model for evaluating the water quality to alleviate this problem. Analytic hierarchy process and entropy theory were used to calculate the subjective weight and objective weight, respectively, and then they were coupled as a combination weight (CW via game theory. The proposed game theory-based cloud model (GCM was then applied to the Qixinggang section of the Beijiang River. The results show that the CW ranks fecal coliform as the most important factor, followed by total nitrogen and total phosphorus, while biochemical oxygen demand and fluoride were considered least important. There were 19 months (31.67% at grade I, 39 months (65.00% at grade II, and one month at grade IV and grade V during 2010–2014. A total of 52 months (86.6% of GCM were identical to the comprehensive evaluation result (CER. The obtained water quality grades of GCM are close to the grades of the analytic hierarchy process weight (AHPW due to the weight coefficient of AHPW set to 0.7487. Generally, one or two grade gaps exist among the results of the three groups of weights, suggesting that the index weight is not particularly sensitive to the cloud model. The evaluated accuracy of water quality can be improved by modifying the quantitative boundaries. This study could provide a reference for water quality evaluation, prevention, and improvement of water quality assessment and other applications.

  17. Contributions of Heterogeneous Ice Nucleation, Large-Scale Circulation, and Shallow Cumulus Detrainment to Cloud Phase Transition in Mixed-Phase Clouds with NCAR CAM5 (United States)

    Liu, X.; Wang, Y.; Zhang, D.; Wang, Z.


    Mixed-phase clouds consisting of both liquid and ice water occur frequently at high-latitudes and in mid-latitude storm track regions. This type of clouds has been shown to play a critical role in the surface energy balance, surface air temperature, and sea ice melting in the Arctic. Cloud phase partitioning between liquid and ice water determines the cloud optical depth of mixed-phase clouds because of distinct optical properties of liquid and ice hydrometeors. The representation and simulation of cloud phase partitioning in state-of-the-art global climate models (GCMs) are associated with large biases. In this study, the cloud phase partition in mixed-phase clouds simulated from the NCAR Community Atmosphere Model version 5 (CAM5) is evaluated against satellite observations. Observation-based supercooled liquid fraction (SLF) is calculated from CloudSat, MODIS and CPR radar detected liquid and ice water paths for clouds with cloud-top temperatures between -40 and 0°C. Sensitivity tests with CAM5 are conducted for different heterogeneous ice nucleation parameterizations with respect to aerosol influence (Wang et al., 2014), different phase transition temperatures for detrained cloud water from shallow convection (Kay et al., 2016), and different CAM5 model configurations (free-run versus nudged winds and temperature, Zhang et al., 2015). A classical nucleation theory-based ice nucleation parameterization in mixed-phase clouds increases the SLF especially at temperatures colder than -20°C, and significantly improves the model agreement with observations in the Arctic. The change of transition temperature for detrained cloud water increases the SLF at higher temperatures and improves the SLF mostly over the Southern Ocean. Even with the improved SLF from the ice nucleation and shallow cumulus detrainment, the low SLF biases in some regions can only be improved through the improved circulation with the nudging technique. Our study highlights the challenges of

  18. The effect of education based on the Theory of Planned Behavior in smoking

    Directory of Open Access Journals (Sweden)

    Mahmoud Barfi


    Conclusion: According to the results, Education based on the theory of planned behavior has a positive impact on smoking behavior, Therefore, it is recommended that the above educational model is used to modify the behavior of smokers.

  19. Teachers’ individual action theories about competence-based education: the value of the cognitive apprenticeship model


    Seezink, Audrey; Poell, Rob; Kirschner, Paul A.


    Seezink, A., Poell, R. F., & Kirschner, P. A. (2009). Teachers' individual action theories about competence-based education: The value of the cognitive apprenticeship model. Journal of Vocational Education & Training, 61, 203-215.

  20. Interlaminar Stresses by Refined Beam Theories and the Sinc Method Based on Interpolation of Highest Derivative (United States)

    Slemp, Wesley C. H.; Kapania, Rakesh K.; Tessler, Alexander


    Computation of interlaminar stresses from the higher-order shear and normal deformable beam theory and the refined zigzag theory was performed using the Sinc method based on Interpolation of Highest Derivative. The Sinc method based on Interpolation of Highest Derivative was proposed as an efficient method for determining through-the-thickness variations of interlaminar stresses from one- and two-dimensional analysis by integration of the equilibrium equations of three-dimensional elasticity. However, the use of traditional equivalent single layer theories often results in inaccuracies near the boundaries and when the lamina have extremely large differences in material properties. Interlaminar stresses in symmetric cross-ply laminated beams were obtained by solving the higher-order shear and normal deformable beam theory and the refined zigzag theory with the Sinc method based on Interpolation of Highest Derivative. Interlaminar stresses and bending stresses from the present approach were compared with a detailed finite element solution obtained by ABAQUS/Standard. The results illustrate the ease with which the Sinc method based on Interpolation of Highest Derivative can be used to obtain the through-the-thickness distributions of interlaminar stresses from the beam theories. Moreover, the results indicate that the refined zigzag theory is a substantial improvement over the Timoshenko beam theory due to the piecewise continuous displacement field which more accurately represents interlaminar discontinuities in the strain field. The higher-order shear and normal deformable beam theory more accurately captures the interlaminar stresses at the ends of the beam because it allows transverse normal strain. However, the continuous nature of the displacement field requires a large number of monomial terms before the interlaminar stresses are computed as accurately as the refined zigzag theory.

  1. Understanding the ice nucleation characteristics of feldspars suspended in solution (United States)

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


    Chemical) and 5 wt% lanolin (Fluka Chemical) is emulsified with a rotor-stator homogenizer for 40 s at a rotation frequency of 7000 rpm. 4 - 10 mg of this mixture is pipetted in an aluminum pan (closed hermetically), placed in the DSC and subjected to three freezing cycles. The first and the third freezing cycles are executed at a cooling rate of 10 K/min to control the stability of the sample. The second freezing cycle is executed at a 1 K/min cooling rate and is used for evaluation. Freezing temperatures are obtained by evaluating the onset of the freezing signal in the DSC curve and plotted against water activity. Results Based on Koop et al. (2000), a general decreasing trend in ice nucleation efficiency of the mineral samples with increasing solute concentrations is expected. Interestingly, feldspars (microcline, sanidine, plagioclase) in very dilute solutions of ammonia and ammonium salts (water activity close to one) show an increase in ice nucleation efficiency of 4 to 6 K compared to that in pure water. Similar trends but less pronounced are observed for kaolinite while quartz shows barely any effect. Therefore, there seem to be specific interactions between the feldspar surface and ammonia and/or ammonium ions which result in an increase in freezing temperatures at low solute concentrations. The surface ion exchange seems to be secondary for this effect since it is also present in ammonia solution. We hypothesize that ammonia adsorbs on the aluminol/silanol groups present on feldspar (viz. aluminosilicate surface) surfaces (Nash and Marshall, 1957; Belchinskaya et al., 2013). Hence allowing one of the N-H bonds to stick outwards from the surface, facing towards the bulk water and providing a favorable template for ice to grow. The current study gives an insight into the ice nucleation behavior of aluminosilicate minerals when present in conjunction with chemical species, eg. ammonium/sulfates, which is of high atmospheric relevance. References Koop et al., (2000

  2. Optimizing nursing care by integrating theory-driven evidence-based practice. (United States)

    Pipe, Teri Britt


    An emerging challenge for nursing leadership is how to convey the importance of both evidence-based practice (EBP) and theory-driven care in ensuring patient safety and optimizing outcomes. This article describes a specific example of a leadership strategy based on Rosswurm and Larrabee's model for change to EBP, which was effective in aligning the processes of EBP and theory-driven care.

  3. Factors Affecting the Consumption of Fast Foods Among Women Based on the Social Cognitive Theory


    Nooshin Beiranvandpour; Akram Karimi-Shahanjarini; Forouzan Rezapur-Shahkolai; Abbas Moghimbeigi


    Introduction: Fast-food consumption among Iranian families appears to be increasing probably due to urbanization, popularization of western-style diets and increased women's labor force participation. Few theory-based investigations have assessed the determinants of fast food consumption. Therefore, the aim of this study was to determine the predictors of fast food consumption, based on the social cognitive theory (SCT) among women referred to health centers in Hamadan, West of Iran. Mate...

  4. Isolation of fetal DNA from nucleated erythrocytes in maternal blood

    Energy Technology Data Exchange (ETDEWEB)

    Bianchi, D.W.; Knoll, J.H.M. (Children' s Hospital, Boston, MA (USA) Harvard Medical School, Boston, MA (USA)); Flint, A.F. (Howard Hughes Medical Institute, Boston, MA (USA)); Pizzimenti, M.F. (Brigham and Women' s Hospital, Boston, MA (USA)); Latt, S.A. (Children' s Hospital, Boston, MA (USA) Harvard Medical School, Boston, MA (USA))


    Fetal nucleated cells within maternal blood represent a potential source of fetal genes obtainable by venipuncture. The authors used monoclonal antibody against the transferrin receptor (TIR) to identify nucleated erythrocytes in the peripheral blood of pregnant women. Candidate fetal cells from 19 pregnancies were isolated by flow sorting at 12 1/2-17 weeks gestation. The DNA in these cells was amplified for a 222-base-pair (bp) sequence present on the short arm of the Y chromosome as proof that the cells were derived from the fetus. The amplified DNA was compared with standardized DNA concentrations. In the case of the female fetus, DNA prepared from samples at 32 weeks of gestation and cord blood at delivery also showed the presence of the Y chromosomal sequence, suggesting Y sequence mosaicism or translocation. In 10/12 cases where the 222-bp band was absent, the fetuses were female. Thus, they were successful in detecting the Y chromosomal sequence in 75% of the male-bearing pregnancies, demonstrating that it is possible to isolate fetal gene sequences from cells in maternal blood. Further refinement in methodology should increase sensitivity and facilitate noninvasive screening for fetal gene mutations.

  5. Laser-induced nucleation of carbon dioxide bubbles (United States)

    Ward, Martin R.; Jamieson, William J.; Leckey, Claire A.; Alexander, Andrew J.


    A detailed experimental study of laser-induced nucleation (LIN) of carbon dioxide (CO2) gas bubbles is presented. Water and aqueous sucrose solutions supersaturated with CO2 were exposed to single nanosecond pulses (5 ns, 532 nm, 2.4-14.5 MW cm-2) and femtosecond pulses (110 fs, 800 nm, 0.028-11 GW cm-2) of laser light. No bubbles were observed with the femtosecond pulses, even at high peak power densities (11 GW cm-2). For the nanosecond pulses, the number of bubbles produced per pulse showed a quadratic dependence on laser power, with a distinct power threshold below which no bubbles were observed. The number of bubbles observed increases linearly with sucrose concentration. It was found that filtering of solutions reduces the number of bubbles significantly. Although the femtosecond pulses have higher peak power densities than the nanosecond pulses, they have lower energy densities per pulse. A simple model for LIN of CO2 is presented, based on heating of nanoparticles to produce vapor bubbles that must expand to reach a critical bubble radius to continue growth. The results suggest that non-photochemical laser-induced nucleation of crystals could also be caused by heating of nanoparticles.

  6. Accelerated nucleation of the 2014 Iquique, Chile Mw 8.2 Earthquake. (United States)

    Kato, Aitaro; Fukuda, Jun'ichi; Kumazawa, Takao; Nakagawa, Shigeki


    The earthquake nucleation process has been vigorously investigated based on geophysical observations, laboratory experiments, and theoretical studies; however, a general consensus has yet to be achieved. Here, we studied nucleation process for the 2014 Iquique, Chile Mw 8.2 megathrust earthquake located within the current North Chile seismic gap, by analyzing a long-term earthquake catalog constructed from a cross-correlation detector using continuous seismic data. Accelerations in seismicity, the amount of aseismic slip inferred from repeating earthquakes, and the background seismicity, accompanied by an increasing frequency of earthquake migrations, started around 270 days before the mainshock at locations up-dip of the largest coseismic slip patch. These signals indicate that repetitive sequences of fast and slow slip took place on the plate interface at a transition zone between fully locked and creeping portions. We interpret that these different sliding modes interacted with each other and promoted accelerated unlocking of the plate interface during the nucleation phase.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  8. Nucleation mechanism for the direct graphite-to-diamond phase transition (United States)

    Khaliullin, Rustam Z.; Eshet, Hagai; Kühne, Thomas D.; Behler, Jörg; Parrinello, Michele


    Graphite and diamond have comparable free energies, yet forming diamond from graphite in the absence of a catalyst requires pressures that are significantly higher than those at equilibrium coexistence. At lower temperatures, the formation of the metastable hexagonal polymorph of diamond is favoured instead of the more stable cubic diamond. These phenomena cannot be explained by the concerted mechanism suggested in previous theoretical studies. Using an ab initio quality neural-network potential, we carried out a large-scale study of the graphite-to-diamond transition assuming that it occurs through nucleation. The nucleation mechanism accounts for the observed phenomenology and reveals its microscopic origins. We demonstrate that the large lattice distortions that accompany the formation of diamond nuclei inhibit the phase transition at low pressure, and direct it towards the hexagonal diamond phase at higher pressure. The proposed nucleation mechanism should improve our understanding of structural transformations in a wide range of carbon-based materials.

  9. Calculation of nucleation free energy for duplex oligomers in the context of nearest neighbor models. (United States)

    Guerra, João Carlos de Oliveira


    Additive physical properties of DNA double strand polymers have been expanded in terms of 8 irreducible parameters. This provided consistency relations among the corresponding 10 duplex dimer contributions. To allow for oligomer analysis, end parameters were often added, and this would add extra degrees of freedom to the fore mentioned parameters. Statistical mechanics approaches were then connected to the nearest neighbor (NN) approach in the framework of the two-states model. Ad hoc end effects were thus (wrongly) correlated to nucleation phenomena and this lead to a critique for its role in NN modeling. With this motivation, a new NN model is proposed that accommodates the nucleation free energies. The model relates the nucleation free energy to the mean composition of the chain and permits to obtain a good estimate for the free energy associated only to the Watson-Crick base pairings. Copyright © 2013 Wiley Periodicals, Inc.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  11. Accelerated nucleation of the 2014 Iquique, Chile Mw 8.2 Earthquake (United States)

    Kato, Aitaro; Fukuda, Jun’ichi; Kumazawa, Takao; Nakagawa, Shigeki


    The earthquake nucleation process has been vigorously investigated based on geophysical observations, laboratory experiments, and theoretical studies; however, a general consensus has yet to be achieved. Here, we studied nucleation process for the 2014 Iquique, Chile Mw 8.2 megathrust earthquake located within the current North Chile seismic gap, by analyzing a long-term earthquake catalog constructed from a cross-correlation detector using continuous seismic data. Accelerations in seismicity, the amount of aseismic slip inferred from repeating earthquakes, and the background seismicity, accompanied by an increasing frequency of earthquake migrations, started around 270 days before the mainshock at locations up-dip of the largest coseismic slip patch. These signals indicate that repetitive sequences of fast and slow slip took place on the plate interface at a transition zone between fully locked and creeping portions. We interpret that these different sliding modes interacted with each other and promoted accelerated unlocking of the plate interface during the nucleation phase. PMID:27109362

  12. Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

    DEFF Research Database (Denmark)

    Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.


    Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...... moments are computed using the same geometries (MP2/6-31G*) and basis set (TZVP) as in our previous ab initio benchmark study on electronically excited states. The results from TD-DFT (with the functionals BP86, B3LYP, and BHLYP) and from DFT/MRCI are compared against the previous high-level ab initio...

  13. Identification & Characterization of Fungal Ice Nucleation Proteins (United States)

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


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

  14. Improved routing strategy based on gravitational field theory (United States)

    Song, Hai-Quan; Guo, Jin


    Routing and path selection are crucial for many communication and logistic applications. We study the interaction between nodes and packets and establish a simple model for describing the attraction of the node to the packet in transmission process by using the gravitational field theory, considering the real and potential congestion of the nodes. On the basis of this model, we propose a gravitational field routing strategy that considers the attractions of all of the nodes on the travel path to the packet. In order to illustrate the efficiency of proposed routing algorithm, we introduce the order parameter to measure the throughput of the network by the critical value of phase transition from a free flow phase to a congested phase, and study the distribution of betweenness centrality and traffic jam. Simulations show that, compared with the shortest path routing strategy, the gravitational field routing strategy considerably enhances the throughput of the network and balances the traffic load, and nearly all of the nodes are used efficiently. Project supported by the Technology and Development Research Project of China Railway Corporation (Grant No. 2012X007-D) and the Key Program of Technology and Development Research Foundation of China Railway Corporation (Grant No. 2012X003-A).

  15. Resolving defence mechanisms: A perspective based on dissipative structure theory. (United States)

    Zhang, Wei; Guo, Ben-Yu


    Theories and classifications of defence mechanisms are not unified. This study addresses the psychological system as a dissipative structure which exchanges information with the external and internal world. When using defence mechanisms, the cognitive-affective schema of an individual could remain stable and ordered by excluding psychological entropy, obtaining psychological negentropy or by dissipating the energy of self-presentation. From this perspective, defences can be classified into three basic types: isolation, compensation and self-dissipation. However, not every kind of defence mechanisms can actually help the individual. Non-adaptive defences are just functioning as an effective strategy in the short run but can be a harmful approach in the long run, while adaptive defences could instead help the individual as a long-term mechanism. Thus, we would like to suggest that it is more useful for the individual to use more adaptive defence mechanisms and seek out social or interpersonal support when undergoing psychic difficulties. As this model of defences is theoretical at present, we therefore aim to support and enrich this viewpoint with empirical evidence. Copyright © 2017 Institute of Psychoanalysis.

  16. Supercooling, ice nucleation and crystal growth: a systematic study in plant samples. (United States)

    Zaragotas, Dimitris; Liolios, Nikolaos T; Anastassopoulos, Elias


    This paper presents an innovative technological platform which is based on infrared video recording and is used for monitoring multiple ice nucleation events and their interactions, as they happen in 96 well microplates. Thousands of freezing curves were obtained during this study and the following freezing parameters were measured: cooling rate, nucleation point, freezing point, solidus point, degree of supercooling, duration of dendritic phase and duration of crystal growth. We demonstrate the use of this platform in the detection of ice nuclei in plant samples. Future applications of this platform may include breeding for frost tolerance, cryopreservation, frozen food technology and atmospheric sciences. Copyright © 2016 Elsevier Inc. All rights reserved.

  17. A modified principal component analysis-based utility theory ...

    African Journals Online (AJOL)

    traditional machining processes having multiple performance characteristics, some of which are usually correlated. So, ideally, use of principal component analysis (PCA)-based approaches that take into account the possible correlations ...

  18. Consolidity: Stack-based systems change pathway theory elaborated

    Directory of Open Access Journals (Sweden)

    Hassen Taher Dorrah


    Full Text Available This paper presents an elaborated analysis for investigating the stack-based layering processes during the systems change pathway. The system change pathway is defined as the path resulting from the combinations of all successive changes induced on the system when subjected to varying environments, activities, events, or any excessive internal or external influences and happenings “on and above” its normal stands, situations or set-points during its course of life. The analysis is essentially based on the important overall system paradigm of “Time driven-event driven-parameters change”. Based on this paradigm, it is considered that any affected activity, event or varying environment is intelligently self-recorded inside the system through an incremental consolidity-scaled change in system parameters of the stack-based layering types. Various joint stack-based mathematical and graphical approaches supported by representable case studies are suggested for the identification, extraction, and processing of various stack-based systems changes layering of different classifications and categorizations. Moreover, some selected real life illustrative applications are provided to demonstrate the (infinite stack-based identification and recognition of the change pathway process in the areas of geology, archeology, life sciences, ecology, environmental science, engineering, materials, medicine, biology, sociology, humanities, and other important fields. These case studies and selected applications revealed that there are general similarities of the stack-based layering structures and formations among all the various research fields. Such general similarities clearly demonstrate the global concept of the “fractals-general stacking behavior” of real life systems during their change pathways. Therefore, it is recommended that concentrated efforts should be expedited toward building generic modular stack-based systems or blocks for the mathematical

  19. Heterogeneous ice nucleation: bridging stochastic and singular freezing behavior (United States)

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


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

  20. Moderators of Theory-Based Interventions to Promote Physical Activity in 77 Randomized Controlled Trials. (United States)

    Bernard, Paquito; Carayol, Marion; Gourlan, Mathieu; Boiché, Julie; Romain, Ahmed Jérôme; Bortolon, Catherine; Lareyre, Olivier; Ninot, Gregory


    A meta-analysis of randomized controlled trials (RCTs) has recently showed that theory-based interventions designed to promote physical activity (PA) significantly increased PA behavior. The objective of the present study was to investigate the moderators of the efficacy of these theory-based interventions. Seventy-seven RCTs evaluating theory-based interventions were systematically identified. Sample, intervention, methodology, and theory implementation characteristics were extracted, coded by three duos of independent investigators, and tested as moderators of interventions effect in a multiple-meta-regression model. Three moderators were negatively associated with the efficacy of theory-based interventions on PA behavior: intervention length (≥14 weeks; β = -.22, p = .004), number of experimental patients (β = -.10, p = .002), and global methodological quality score (β = -.08, p = .04). Our findings suggest that the efficacy of theory-based interventions to promote PA could be overestimated consequently due to methodological weaknesses of RCTs and that interventions shorter than 14 weeks could maximize the increase of PA behavior.

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

    International Nuclear Information System (INIS)

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


    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.)

  2. Aerosol nucleation induced by a high energy particle beam

    DEFF Research Database (Denmark)

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


    -effect on aerosol nucleation using a particle beam under conditions that resemble the Earth's atmosphere. By comparison with ionization using a gamma source we further show that the nature of the ionizing particles is not important for the ion-induced component of the nucleation. This implies that inexpensive...... ionization sources - as opposed to expensive accelerator beams - can be used for investigations of ion-induced nucleation....

  3. An open-shell restricted Hartree-Fock perturbation theory based on symmetric spin orbitals (United States)

    Lee, Timothy J.; Jayatilaka, Dylan


    A new open-shell perturbation theory is formulated in terms of symmetric spin orbitals. Only one set of spatial orbitals is required, thereby reducing the number of independent coefficients in the perturbed wavefunctions. For second order, the computational cost is shown to be similar to a closed-shell calculation. This formalism is therefore more efficient than the recently developed RMP, ROMP or RMP-MBPT theories. The perturbation theory described herein was designed to have a close correspondence with our recently proposed coupled-cluster theory based on symmetric spin orbitals. The first-order wavefunction contains contributions from only doubly excited determinants. Equilibrium structures and vibrational frequencies determined from second-order perturbation theory are presented for OH, NH, CH, 02, NH2 and CH2.

  4. Buckling analysis of micro- and nano-rods/tubes based on nonlocal Timoshenko beam theory

    Energy Technology Data Exchange (ETDEWEB)

    Wang, C M [Engineering Science Programme, National University of Singapore, Kent Ridge, Singapore 119260 (Singapore); Zhang, Y Y [Department of Mechanical Engineering, National University of Singapore, Kent Ridge, Singapore 119260 (Singapore); Ramesh, Sai Sudha [Department of Civil Engineering, National University of Singapore, Kent Ridge, Singapore 119260 (Singapore); Kitipornchai, S [Department of Building and Construction, City University of Hong Kong, Kowloon, Hong Kong (China)


    This paper is concerned with the elastic buckling analysis of micro- and nano-rods/tubes based on Eringen's nonlocal elasticity theory and the Timoshenko beam theory. In the former theory, the small scale effect is taken into consideration while the effect of transverse shear deformation is accounted for in the latter theory. The governing equations and the boundary conditions are derived using the principle of virtual work. Explicit expressions for the critical buckling loads are derived for axially loaded rods/tubes with various end conditions. These expressions account for a better representation of the buckling behaviour of micro- and nano-rods/tubes where small scale effect and transverse shear deformation effect are significant. By comparing it with the classical beam theories, the sensitivity of the small scale effect on the buckling loads may be observed.

  5. The Underdetermined Knowledge-Based Theory of the MNC

    DEFF Research Database (Denmark)

    Fransson, Anders; Håkanson, Lars; W. Liesch, Peter


    In this note we revisit two core propositions of the knowledge-based view of the firm found in the seminal work of Kogut and Zander: (1) that multinational corporations (MNCs) exist because transfers and re-combinations of knowledge occur more efficiently inside MNCs than between MNCs and third...... parties; and (2) that the threat of opportunism is not necessary, although it may be sufficient, to explain the existence of the MNC. Their knowledge-based view shifted the conceptualization of the firm from an institution arising from market failure and transaction costs economizing to a progeny......-combination of knowledge among their members. Important insights may be gained by applying the concept of epistemic communities implicit in the knowledge-based perspective beyond firm-level hierarchies....

  6. Theory of fractional order elements based impedance matching networks

    KAUST Repository

    Radwan, Ahmed G.


    Fractional order circuit elements (inductors and capacitors) based impedance matching networks are introduced for the first time. In comparison to the conventional integer based L-type matching networks, fractional matching networks are much simpler and versatile. Any complex load can be matched utilizing a single series fractional element, which generally requires two elements for matching in the conventional approach. It is shown that all the Smith chart circles (resistance and reactance) are actually pairs of completely identical circles. They appear to be single for the conventional integer order case, where the identical circles completely overlap each other. The concept is supported by design equations and impedance matching examples. © 2010 IEEE.

  7. Fatigue crack nucleation of type 316LN stainless steel

    International Nuclear Information System (INIS)

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


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

  8. Integrated Models of School-Based Prevention: Logic and Theory (United States)

    Domitrovich, Celene E.; Bradshaw, Catherine P.; Greenberg, Mark T.; Embry, Dennis; Poduska, Jeanne M.; Ialongo, Nicholas S.


    School-based prevention programs can positively impact a range of social, emotional, and behavioral outcomes. Yet the current climate of accountability pressures schools to restrict activities that are not perceived as part of the core curriculum. Building on models from public health and prevention science, we describe an integrated approach to…

  9. "Theory repositories" via the web for problem-based learning

    NARCIS (Netherlands)

    van der Veen, Johan (CTIT); van Riemsdijk, Maarten; Jones, Valerie M.; Collis, Betty


    This paper describes a series of experiments conducted at the School of Management Studies at the University of Twente designed to improve students' concentration on the theoretical study materials in a particular course. In 1997 a problem-based learning approach was introduced into a course on

  10. Controlling the quantum dot nucleation site

    International Nuclear Information System (INIS)

    Motta, Nunzio; Sgarlata, Anna; Rosei, Federico; Szkutnik, P.D.; Nufris, S.; Scarselli, M.; Balzarotti, A.


    Quantum dots (QDs) are actually easily produced by self-assembling during heteroepitaxial growth of semiconductors. In order to exploit the unique electronic properties of semiconductor QDs in novel quantum effect devices, the lateral dimensions of these structures have to be reduced to the order of tens of nanometers, which is the range of the De Broglie wavelength of electrons inside these materials. Moreover, millions of QDs must be arranged in dense ordered arrays to achieve the necessary active volume for optoelectronic applications. Nowadays it is possible to control size and shape of the nanocrystals, but it is still difficult to decide their nucleation site. Many approaches have been undertaken to overcome this problem, like using regular dislocation networks, lithographically and Atomic Force Microscopy (AFM) patterned substrates, naturally patterned surfaces. We present results obtained by some of these methods, visualized by Scanning Tunnelling Microscopy (STM) or AFM microscopy. STM measurements at high temperature during the epitaxial growth are of great help in these studies. Images and movies of the growth of Ge on Si help to identify the real nucleation sites of the islands and to follow their evolution. The influence of the 'step bunching' on the self-organization of Ge islands on Si(111) surfaces will be analysed, as an example of growth on self-nanostructured surfaces

  11. Earthquake nucleation in weak subducted carbonates (United States)

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


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

  12. Diamond-coated three-dimensional GaN micromembranes: effect of nucleation and deposition techniques

    Czech Academy of Sciences Publication Activity Database

    Ižák, Tibor; Vanko, G.; Babchenko, Oleg; Potocký, Štěpán; Marton, M.; Vojs, M.; Choleva, P.; Kromka, Alexander


    Roč. 252, č. 11 (2015), s. 2585-2590 ISSN 0370-1972 R&D Projects: GA ČR(CZ) GP14-16549P Institutional support: RVO:68378271 Keywords : diamond film * GaN micromembranes * microwave chemical vapour deposition * polymer-based nucleation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.522, year: 2015

  13. A Systematic Review of Rural, Theory-based Physical Activity Interventions. (United States)

    Walsh, Shana M; Meyer, M Renée Umstattd; Gamble, Abigail; Patterson, Megan S; Moore, Justin B


    This systematic review synthesized the scientific literature on theory-based physical activity (PA) interventions in rural populations. PubMed, PsycINFO, and Web of Science databases were searched to identify studies with a rural study sample, PA as a primary outcome, use of a behavioral theory or model, randomized or quasi-experimental research design, and application at the primary and/or secondary level of prevention. Thirty-one studies met our inclusion criteria. The Social Cognitive Theory (N = 14) and Transtheoretical Model (N = 10) were the most frequently identified theories; however, most intervention studies were informed by theory but lacked higher-level theoretical application and testing. Interventions largely took place in schools (N = 10) and with female-only samples (N = 8). Findings demonstrated that theory-based PA interventions are mostly successful at increasing PA in rural populations but require improvement. Future studies should incorporate higher levels of theoretical application, and should explore adapting or developing rural-specific theories. Study designs should employ more rigorous research methods to decrease bias and increase validity of findings. Follow-up assessments to determine behavioral maintenance and/or intervention sustainability are warranted. Finally, funding agencies and journals are encouraged to adopt rural-urban commuting area codes as the standard for defining rural.

  14. The boundaries of instance-based learning theory for explaining decisions from experience. (United States)

    Gonzalez, Cleotilde


    Most demonstrations of how people make decisions in risky situations rely on decisions from description, where outcomes and their probabilities are explicitly stated. But recently, more attention has been given to decisions from experience where people discover these outcomes and probabilities through exploration. More importantly, risky behavior depends on how decisions are made (from description or experience), and although prospect theory explains decisions from description, a comprehensive model of decisions from experience is yet to be found. Instance-based learning theory (IBLT) explains how decisions are made from experience through interactions with dynamic environments (Gonzalez et al., 2003). The theory has shown robust explanations of behavior across multiple tasks and contexts, but it is becoming unclear what the theory is able to explain and what it does not. The goal of this chapter is to start addressing this problem. I will introduce IBLT and a recent cognitive model based on this theory: the IBL model of repeated binary choice; then I will discuss the phenomena that the IBL model explains and those that the model does not. The argument is for the theory's robustness but also for clarity in terms of concrete effects that the theory can or cannot account for. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. A Social Influence Model Based On Circuit Theory


    Xiang, Biao; Chen, Enhong; Liu, Qi; Xiong, Hui; Yang, Yu; Xie, Junyuan


    Understanding the behaviors of information propagation is essential for the effective exploitation of social influence in social networks. However, few existing influence models are tractable and efficient for describing the information propagation process, especially when dealing with the difficulty of incorporating the effects of combined influences from multiple nodes. To this end, in this paper, we provide a social influence model that alleviates this obstacle based on electrical circuit ...

  16. Specification-based Error Recovery: Theory, Algorithms, and Usability (United States)


    execution using ranged analysis. In Proc. ACM International Conference on Object Oriented Programming Systems Languages and Applications ( OOP - SLA), pages...developed, optimized and rigorously evaluated in this project. It leveraged the Alloy specification language and its SAT-based tool-set as an enabling...techniques and tools were designed, developed, optimized and rigorously evaluated in this project. It leveraged the Alloy specification language and its

  17. Consolidity: Stack-based systems change pathway theory elaborated


    Dorrah, Hassen Taher


    This paper presents an elaborated analysis for investigating the stack-based layering processes during the systems change pathway. The system change pathway is defined as the path resulting from the combinations of all successive changes induced on the system when subjected to varying environments, activities, events, or any excessive internal or external influences and happenings “on and above” its normal stands, situations or set-points during its course of life. The analysis is essentially...

  18. Sensor-Based Collision Avoidance: Theory and Experiments (United States)

    Seraji, Homayoun; Steele, Robert; Ivlev, Robert


    A new on-line control strategy for sensor-based collision avoidance of manipulators and supporting experimental results are presented in this article. This control strategy is based on nullification of virtual forces applied to the end-effector by a hypothetical spring-plus-damper attached to the object's surface. In the proposed approach, the real-time arm control software continuously monitors the object distance measured by the arm-mounted proximity sensors. When this distance is less than a preset threshold, the collision avoidance control action is initiated to inhibit motion toward the object and thus prevent collision. This is accomplished by employing an outer feedback loop to perturb the end-effector nominal motion trajectory in real-time based on the sensory data. The perturbation is generated by a proportional-plus-integral (PI) collision avoidance controller acting on the difference between the sensed distance and the preset threshold. This approach is computationally very fast, requires minimal modification to the existing manipulator positioning system, and provides the manipulator with an on-line collision avoidance capability to react autonomously and intelligently. A dexterous RRC robotic arm is instrumented with infrared proximity sensors and is operated under the proposed collision avoidance strategy. Experimental results are presented to demonstrate end-effector collision avoidance both with an approaching object and while reaching inside a constricted opening.


    Directory of Open Access Journals (Sweden)

    J Michael Pearson


    Full Text Available ABSTRACT The theory of reasoned action originally introduced in the field of Social Psychology has been widely used to explain individuals’ behaviour. The theory postulates that individuals’ behaviour is influenced by their attitude and subjective norm. The purpose of this study was to determine factors that influence an individual’s intention to use a technology based on the theory of reasoned action. We used Internet banking as the target technology and Malaysian subjects as the sampling frame. A principal component analysis was used to validate the constructs and multiple regressions were used to analyze the data. As expected, the results supported the theory’s proposition as that an individuals’ behavioural intention to use Internet banking is influenced by their attitude and subjective norm. Based on the findings, theoretical and practical implications were offered. Keywords: theory of reasoned action, Internet banking, technology acceptance

  20. Following Human Footsteps: Proposal of a Decision Theory Based on Human Behavior (United States)

    Mahmud, Faisal


    Human behavior is a complex nature which depends on circumstances and decisions varying from time to time as well as place to place. The way a decision is made either directly or indirectly related to the availability of the options. These options though appear at random nature, have a solid directional way for decision making. In this paper, a decision theory is proposed which is based on human behavior. The theory is structured with model sets that will show the all possible combinations for making a decision, A virtual and simulated environment is considered to show the results of the proposed decision theory

  1. Design-based research – issues in connecting theory, research and practice

    DEFF Research Database (Denmark)

    Kolmos, Anette


    indicate several key issues at both the scientific and personal level. Scientifically, the main issues are contribution to theory and the role of the researcher. At the personal level, it is an investment beyond normal research procedures to involve yourself as a researcher in curriculum change.......During the last 20 years, design-based research (DBR) has become a popular methodology for connecting educational theory, research and practice. The missing link between educational theory, research and educational practice is an ongoing issue and DBR is seen as an integrated methodology to bridge...

  2. Collective learning modeling based on the kinetic theory of active particles. (United States)

    Burini, D; De Lillo, S; Gibelli, L


    This paper proposes a systems approach to the theory of perception and learning in populations composed of many living entities. Starting from a phenomenological description of these processes, a mathematical structure is derived which is deemed to incorporate their complexity features. The modeling is based on a generalization of kinetic theory methods where interactions are described by theoretical tools of game theory. As an application, the proposed approach is used to model the learning processes that take place in a classroom. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Automated Generation of Traffic Incident Response Plan Based on Case-Based Reasoning and Bayesian Theory

    Directory of Open Access Journals (Sweden)

    Yongfeng Ma


    Full Text Available Traffic incident response plan, specifying response agencies and their responsibilities, can guide responders to take actions effectively and timely after traffic incidents. With a reasonable and feasible traffic incident response plan, related agencies will save many losses, such as humans and wealth. In this paper, how to generate traffic incident response plan automatically and specially was solved. Firstly, a well-known and approved method, Case-Based Reasoning (CBR, was introduced. Based on CBR, a detailed case representation and R5-cycle of CBR were developed. To enhance the efficiency of case retrieval, which was an important procedure, Bayesian Theory was introduced. To measure the performance of the proposed method, 23 traffic incidents caused by traffic crashes were selected and three indicators, Precision P, Recall R, and Indicator F, were used. Results showed that 20 of 23 cases could be retrieved effectively and accurately. The method is practicable and accurate to generate traffic incident response plans. The method will promote the intelligent generation and management of traffic incident response plans and also make Traffic Incident Management more scientific and effective.

  4. Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory


    Mo, Yirong; Bao, Peng; Gao, Jiali


    An interaction energy decomposition analysis method based on the block-localized wavefunction (BLW-ED) approach is described. The first main feature of the BLW-ED method is that it combines concepts of valence bond and molecular orbital theories such that the intermediate and physically intuitive electron-localized states are variationally optimized by self-consistent field calculations. Furthermore, the block-localization scheme can be used both in wave function theory and in density functio...

  5. The Effect Of The Materials Based On Multiple Intelligence Theory Upon The Intelligence Groups' Learning Process (United States)

    Oral, I.; Dogan, O.


    The aim of this study is to find out the effect of the course materials based on Multiple Intelligence Theory upon the intelligence groups' learning process. In conclusion, the results proved that the materials prepared according to Multiple Intelligence Theory have a considerable effect on the students' learning process. This effect was particularly seen on the student groups of the musical-rhythmic, verbal-linguistic, interpersonal-social and naturalist intelligence.

  6. Applications of decision theory to computer-based adaptive instructional systems


    Vos, Hendrik J.


    This paper considers applications of decision theory to the problem of instructional decision-making in computer-based adaptive instructional systems, using the Minnesota Adaptive Instructional System (MAIS) as an example. The first section indicates how the problem of selecting the appropriate amount of instruction in MAIS can be situated within the general framework of empirical Bayesian decision theory. The linear loss model and the classical test model are discussed in this context. The s...

  7. Study effective factors on customer compliance in high contact services based on Bandura social - Cognitive theory


    zahra asadi; bahman hajipour


    In today's competitive world, all market participants ranging from individuals, organizations should be looking for ways to success in the market. The secret to success high contact service providers as important part of market participants is, compliance and follow customers of high contact service providers the instructions and guidance. In this paper, a model based on Bandura social - Cognitive theory has Provided to customer compliance . According Bandura social - Cognitive theory and t...

  8. Ten practical, theory-based tips for clinical course planners

    DEFF Research Database (Denmark)

    Balslev, T.; Westphall, I.; Blichfeldt, S.


    A list of practical advice and examples are given based on the literature. E-learning with cliffhanger text-cases can activate prior knowledge, and selected examination skills can be trained with simulated patients. Patient video recordings can be used to train clinical reasoning skills, including...... pattern recognition and hypothetic-deductive approaches. Interactive approaches, for example, questioning, quizzes or buzz groups imply active involvement and participation. Quizzes and MCQ-testing can provide a formative 'check-up' on learning and point to gaps in understanding for the teachers...

  9. Venture Capital Investment Base on Grey Relational Theory (United States)

    Zhang, Xubo

    This paper builds a venture capital investment projects selection evaluation model base on risk-weight investment return using grey relational analysis. The risk and return in venture capital investment projects selection process is analyses. These risk and return mainly constricted in management ability, operation ability, market ability, exit obtain and investment cost. The 18 sub-indicators are the impact factors contributed to these five evaluation aspects. Grey relation analysis is use to evaluate the venture capital investment selection. Get the optimal solution of risk-weight double objective investment selection evaluation model. An example is used to demonstrate the model in this paper.

  10. Ten practical, theory-based tips for clinical course planners

    DEFF Research Database (Denmark)

    Balslev, T.; Westphall, I.; Blichfeldt, S.


    A list of practical advice and examples are given based on the literature. E-learning with cliffhanger text-cases can activate prior knowledge, and selected examination skills can be trained with simulated patients. Patient video recordings can be used to train clinical reasoning skills, including...... and the participants. Spacing a course with intervening assignments can enable the transfer of skills to practice Udgivelsesdato: 2008/4/7...... pattern recognition and hypothetic-deductive approaches. Interactive approaches, for example, questioning, quizzes or buzz groups imply active involvement and participation. Quizzes and MCQ-testing can provide a formative 'check-up' on learning and point to gaps in understanding for the teachers...

  11. [Training -- competency-based education -- learning theory and practice]. (United States)

    Breuer, Georg


    A lifelong learning process is necessarily the basis for the specialization and expertise in the field of anesthesiology. Thus competency as a physician is a complex, multidimensional construction of knowledge, skills and attitudes to be able to solve and persist the complex daily work challenges in a flexible and responsible way. Experts therefore showflexible and intuitive capabilities in pursuing their profession. Accordingly modern competency based learning objectives are very helpful. The DGAI Commission for “Further Education” already thought ahead in defining a competencybased curriculum for the specialization in the field of anesthesiology and could be integrated into the frameworks of the German Medical Association. In addition to the curricular framework elements of assessment are necessary. A single oral exam is consequently not representative for different levels of competencies. However, there is beside the responsibility of the learners for their learning processalso a high obligation of the clinical teachers to attend the learning process and to ensure a positive learning atmosphere with scope for feedback. Some competencies potentially could be better learned in a “sheltered” room based on simulation outside the OR, for example to train rare incidents or emergency procedures. In general there should be ongoing effort to enhance the process of expertise development, also in context of patient safety and quality management.

  12. Safety models incorporating graph theory based transit indicators. (United States)

    Quintero, Liliana; Sayed, Tarek; Wahba, Mohamed M


    There is a considerable need for tools to enable the evaluation of the safety of transit networks at the planning stage. One interesting approach for the planning of public transportation systems is the study of networks. Network techniques involve the analysis of systems by viewing them as a graph composed of a set of vertices (nodes) and edges (links). Once the transport system is visualized as a graph, various network properties can be evaluated based on the relationships between the network elements. Several indicators can be calculated including connectivity, coverage, directness and complexity, among others. The main objective of this study is to investigate the relationship between network-based transit indicators and safety. The study develops macro-level collision prediction models that explicitly incorporate transit physical and operational elements and transit network indicators as explanatory variables. Several macro-level (zonal) collision prediction models were developed using a generalized linear regression technique, assuming a negative binomial error structure. The models were grouped into four main themes: transit infrastructure, transit network topology, transit route design, and transit performance and operations. The safety models showed that collisions were significantly associated with transit network properties such as: connectivity, coverage, overlapping degree and the Local Index of Transit Availability. As well, the models showed a significant relationship between collisions and some transit physical and operational attributes such as the number of routes, frequency of routes, bus density, length of bus and 3+ priority lanes. Copyright © 2012 Elsevier Ltd. All rights reserved.

  13. Is There an Optimal Strategic Oil Reserve for Each Country? A Study Based on the Game Theory

    DEFF Research Database (Denmark)

    Yang, Junan; Cong, Ronggang


    -cooperative game theory. It also analyzes the establishment of strategic oil reserve among different countries based on the coalition game theory and presents the core solution for it. The results show that based on a certain constraint mechanism, it is feasible for different countries to establish their own...... suitable strategic oil reserves in theory and practice....

  14. An Intuitionistic Fuzzy Stochastic Decision-Making Method Based on Case-Based Reasoning and Prospect Theory

    Directory of Open Access Journals (Sweden)

    Peng Li


    Full Text Available According to the case-based reasoning method and prospect theory, this paper mainly focuses on finding a way to obtain decision-makers’ preferences and the criterion weights for stochastic multicriteria decision-making problems and classify alternatives. Firstly, we construct a new score function for an intuitionistic fuzzy number (IFN considering the decision-making environment. Then, we aggregate the decision-making information in different natural states according to the prospect theory and test decision-making matrices. A mathematical programming model based on a case-based reasoning method is presented to obtain the criterion weights. Moreover, in the original decision-making problem, we integrate all the intuitionistic fuzzy decision-making matrices into an expectation matrix using the expected utility theory and classify or rank the alternatives by the case-based reasoning method. Finally, two illustrative examples are provided to illustrate the implementation process and applicability of the developed method.

  15. Efficient Information Hiding Based on Theory of Numbers

    Directory of Open Access Journals (Sweden)

    Yanjun Liu


    Full Text Available Data hiding is an efficient technique that conceals secret data into a digital medium. In 2006, Zhang and Wang proposed a data hiding scheme called exploiting modification direction (EMD which has become a milestone in the field of data hiding. In recent years, many EMD-type data hiding schemes have been developed, but their embedding capacity remains restricted. In this paper, a novel data hiding scheme based on the combination of Chinese remainder theorem (CRT and a new extraction function is proposed. By the proposed scheme, the cover image is divided into non-overlapping pixel groups for embedding to increase the embedding capacity. Experimental results show that the embedding capacity of the proposed scheme is significantly higher (greater than 2.5 bpp than previously proposed schemes while ensuring very good visual quality of the stego image. In addition, security analysis is given to show that the proposed scheme can resist visual attack.

  16. Hybrid Fundamental Solution Based Finite Element Method: Theory and Applications

    Directory of Open Access Journals (Sweden)

    Changyong Cao


    Full Text Available An overview on the development of hybrid fundamental solution based finite element method (HFS-FEM and its application in engineering problems is presented in this paper. The framework and formulations of HFS-FEM for potential problem, plane elasticity, three-dimensional elasticity, thermoelasticity, anisotropic elasticity, and plane piezoelectricity are presented. In this method, two independent assumed fields (intraelement filed and auxiliary frame field are employed. The formulations for all cases are derived from the modified variational functionals and the fundamental solutions to a given problem. Generation of elemental stiffness equations from the modified variational principle is also described. Typical numerical examples are given to demonstrate the validity and performance of the HFS-FEM. Finally, a brief summary of the approach is provided and future trends in this field are identified.

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

    Czech Academy of Sciences Publication Activity Database

    Němec, Tomáš


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

  18. The role of sodium bicarbonate in the nucleation of noctilucent clouds

    Directory of Open Access Journals (Sweden)

    J. M. C. Plane

    Full Text Available It is proposed that a component of meteoric smoke, sodium bicarbonate (NaHCO3, provides particularly effective condensation nuclei for noctilucent clouds. This assertion is based on three conditions being met. The first is that NaHCO3 is present at sufficient concentration (±104 cm-3 in the upper mesosphere between 80 and 90 km. It is demonstrated that there is strong evidence for this based on recent laboratory measurements coupled with atmospheric modelling. The second condition is that the thermodynamics of NaHCO3(H2On cluster formation allow spontaneous nucleation to occur under mesospheric conditions at temperatures below 140 K. The Gibbs free energy changes for forming clusters with n = 1 and 2 were computed from quantum calculations using hybrid density functional/Hartree-Fock (B3LYP theory and a large basis set with added polarization and diffuse functions. The results were then extrapolated to higher n using an established dependence of the free energy on cluster size and the free energy for the sublimation of H2O to bulk ice. A 1-dimensional model of sodium chemistry was then employed to show that spontaneous nucleation to form ice particles (n >100 should occur between 84 and 89 km in the high-latitude summer mesosphere. The third condition is that other metallic components of meteoric smoke are less effective condensation nuclei, so that the total number of potential nuclei is small relative to the amount of available H2O. Quantum calculations indicate that this is probably the case for major constituents such as Fe(OH2, FeO3 and MgCO3.

    Key words: Atmospheric composition and structure (aerosols and particles; cloud physics and chemistry; middle atmosphere · composition and chemistry

  19. Kinematics and dynamics of deployable structures with scissor-like-elements based on screw theory (United States)

    Sun, Yuantao; Wang, Sanmin; Mills, James K.; Zhi, Changjian


    Because the deployable structures are complex multi-loop structures and methods of derivation which lead to simpler kinematic and dynamic equations of motion are the subject of research effort, the kinematics and dynamics of deployable structures with scissor-like-elements are presented based on screw theory and the principle of virtual work respectively. According to the geometric characteristic of the deployable structure examined, the basic structural unit is the common scissor-like-element(SLE). First, a spatial deployable structure, comprised of three SLEs, is defined, and the constraint topology graph is obtained. The equations of motion are then derived based on screw theory and the geometric nature of scissor elements. Second, to develop the dynamics of the whole deployable structure, the local coordinates of the SLEs and the Jacobian matrices of the center of mass of the deployable structure are derived. Then, the equivalent forces are assembled and added in the equations of motion based on the principle of virtual work. Finally, dynamic behavior and unfolded process of the deployable structure are simulated. Its figures of velocity, acceleration and input torque are obtained based on the simulate results. Screw theory not only provides an efficient solution formulation and theory guidance for complex multi-closed loop deployable structures, but also extends the method to solve dynamics of deployable structures. As an efficient mathematical tool, the simper equations of motion are derived based on screw theory.

  20. Constraint-Based Modeling: From Cognitive Theory to Computer Tutoring--and Back Again (United States)

    Ohlsson, Stellan


    The ideas behind the constraint-based modeling (CBM) approach to the design of intelligent tutoring systems (ITSs) grew out of attempts in the 1980's to clarify how declarative and procedural knowledge interact during skill acquisition. The learning theory that underpins CBM was based on two conceptual innovations. The first innovation was to…