A quenched-flow system for measuring heterogeneous enzyme kinetics with sub-second time resolution

DEFF Research Database (Denmark)

Olsen, Johan Pelck; Kari, Jeppe; Borch, Kim

2017-01-01

of insoluble substrate. Perhaps for this reason, transient kinetics has rarely been reported for heterogeneous enzyme reactions. Here, we describe a quenched-flow system using peristaltic pumps and stirred substrate suspensions with a dead time below 100 ms. The general performance was verified by alkali...

Heterogeneous kinetics of the reduction of chromium (VI) by elemental iron

International Nuclear Information System (INIS)

Fiuza, Antonio; Silva, Aurora; Carvalho, Goreti; Fuente, Antonio V. de la; Delerue-Matos, Cristina

2010-01-01

Zero valent iron (ZVI) has been extensively used as a reactive medium for the reduction of Cr(VI) to Cr(III) in reactive permeable barriers. The kinetic rate depends strongly on the superficial oxidation of the iron particles used and the preliminary washing of ZVI increases the rate. The reaction has been primarily modelled using a pseudo-first-order kinetics which is inappropriate for a heterogeneous reaction. We assumed a shrinking particle type model where the kinetic rate is proportional to the available iron surface area, to the initial volume of solution and to the chromium concentration raised to a power α which is the order of the chemical reaction occurring at surface. We assumed α = 2/3 based on the likeness to the shrinking particle models with spherical symmetry. Kinetics studies were performed in order to evaluate the suitability of this approach. The influence of the following parameters was experimentally studied: initial available surface area, chromium concentration, temperature and pH. The assumed order for the reaction was confirmed. In addition, the rate constant was calculated from data obtained in different operating conditions. Digital pictures of iron balls were periodically taken and the image treatment allowed for establishing the time evolution of their size distribution.

Application of personal computers to study the kinetics of heterogeneous isotopic exchange

International Nuclear Information System (INIS)

Koernyei, Jozsef; Lakatos, Mihaly

1985-01-01

The kinetics of some heterogeneous isotopic exchange reactions of alkaline metal ions between solid (crystalline zirconium phosphate) and liquid phases were investigated. Ion diffusion in solid phase was considered as rate controlling step. The Laplace transformation solution of Fick's II law was used with a Sinclair ZX Spectrum personal computer. In some cases the exchange reaction should be regarded as a superposition of diffusion and a first order process. (author)

Kinetic Study on the Esterification of Palm Fatty Acid Distillate (PFAD) Using Heterogeneous Catalyst

Science.gov (United States)

Rofiqah, U.; Djalal, R. A.; Sutrisno, B.; Hidayat, A.

2018-05-01

Esterification with heterogeneous catalysts is believed to have advantages compared to homogeneous catalysts. Palm Fatty Acid Distillate (PFAD) was esterified by ZrO2 -SO4 2-/natural zeolite at temperature variation of 55°C, 60°C, and 65°C to produce biodiesel. Determination of reaction kinetics was done by experiment and modeling. Kinetic study was approached using pseudo-homogeneous model of first order. For experiment, reaction kinetics were 0.0031 s-1, 0.0054 s-1, and 0.00937 s-1 for a temperature of 55 °C, 60 °C and 65 °C, respectively. For modelling, reaction kinetics were 0.0030 s-1, 0.0055 s-1, and 0.0090 s-1 for a temperature of 55°C, 60°C and 65°C, respectively. Rate and conversion of reaction are getting increased by increasing temperature.

Heterogeneous Fenton-like discoloration of methyl orange using Fe3O4/MWCNTs as catalyst: kinetics and Fenton-like mechanism

Science.gov (United States)

Xu, Huan-Yan; Wang, Yuan; Shi, Tian-Nuo; Zhao, Hang; Tan, Qu; Zhao, Bo-Chao; He, Xiu-Lan; Qi, Shu-Yan

2018-03-01

The kinetics and Fenton-like mechanism are two challenging tasks for heterogeneous Fenton-like catalytic oxidation of organic pollutants. In this study, three kinetic models were used for the kinetic studies of Fe3O4/MWCNTs-H2O2 Fenton-like reaction for MO degradation. The results indicated that this reaction followed the first-order kinetic model. The relationship of reaction rate constant and temperature followed the Arrhenius equation. The activation energy and frequency factor of this system were calculated as 8.2 kJ·mol-1 and 2.72 s-1, respectively. The quantifications of Fe ions dissolution and •OH radicals generation confirmed that the homogeneous and heterogeneous catalyses were involved in Fe3O4/MWCNTs-H2O2 Fenton-like reaction. The reaction rate constant was closely related with Fe ions dissolution and •OH radicals generation. Fe3O4/MWCNTs nanocomposites had typical ferromagnetic property and could be easily separated from solution by an external magnet after being used. Furthermore, Fe3O4/MWCNTs nanocomposites exhibited good stability and recyclability. Finally, the Fenton-like mechanisms on homogeneous and heterogeneous catalyses were described.

Estimation of heterogeneity in malaria transmission by stochastic modelling of apparent deviations from mass action kinetics

Directory of Open Access Journals (Sweden)

Smith Thomas A

2008-01-01

Full Text Available Abstract Background Quantifying heterogeneity in malaria transmission is a prerequisite for accurate predictive mathematical models, but the variance in field measurements of exposure overestimates true micro-heterogeneity because it is inflated to an uncertain extent by sampling variation. Descriptions of field data also suggest that the rate of Plasmodium falciparum infection is not proportional to the intensity of challenge by infectious vectors. This appears to violate the principle of mass action that is implied by malaria biology. Micro-heterogeneity may be the reason for this anomaly. It is proposed that the level of micro-heterogeneity can be estimated from statistical models that estimate the amount of variation in transmission most compatible with a mass-action model for the relationship of infection to exposure. Methods The relationship between the entomological inoculation rate (EIR for falciparum malaria and infection risk was reanalysed using published data for cohorts of children in Saradidi (western Kenya. Infection risk was treated as binomially distributed, and measurement-error (Poisson and negative binomial models were considered for the EIR. Models were fitted using Bayesian Markov chain Monte Carlo algorithms and model fit compared for models that assume either mass-action kinetics, facilitation, competition or saturation of the infection process with increasing EIR. Results The proportion of inocula that resulted in infection in Saradidi was inversely related to the measured intensity of challenge. Models of facilitation showed, therefore, a poor fit to the data. When sampling error in the EIR was neglected, either competition or saturation needed to be incorporated in the model in order to give a good fit. Negative binomial models for the error in exposure could achieve a comparable fit while incorporating the more parsimonious and biologically plausible mass action assumption. Models that assume negative binomial micro-heterogeneity

Heterogeneous reaction of particulate chlorpyrifos with NO3 radicals: Products, pathways, and kinetics

Science.gov (United States)

Li, Nana; Zhang, Peng; Yang, Bo; Shu, Jinian; Wang, Youfeng; Sun, Wanqi

2014-08-01

Chlorpyrifos is a typical chlorinated organophosphorus pesticide. The heterogeneous reaction of chlorpyrifos particles with NO3 radicals was investigated using a vacuum ultraviolet photoionization aerosol time-of-flight mass spectrometer (VUV-ATOFMS) and a real-time atmospheric gas analysis mass spectrometer. Chlorpyrifos oxon, 3,5,6-trichloro-2-pyridinol, O,O-diethyl O-hydrogen phosphorothioate, O,O-diethyl ester thiophosphoric acid, diethyl hydrogen phosphate and a phosphinyl disulfide compound were identified as the main degradation products. The heterogeneous reaction pathways were proposed and their kinetic processes were investigated via a mixed-phase relative rate method. The observed effective rate constant is 3.4 ± 0.2 × 10-12 cm3 molecule-1 s-1.

Heterogeneous photocatalysis of real textile wastewater: evaluation of reaction kinetics and characterization.

Science.gov (United States)

Sahoo, Chittaranjan; Gupta, Ashok K; Pillai, Indu M Sasidharan

2012-01-01

Real textile wastewater collected from the cotton dyeing bath of a fabric dyeing and finishing plant was subjected to heterogeneous photocatalysis using Ag(+) doped TiO(2) under UV irradiation in a batch reactor. The photocatalysts were characterized by FESEM, XRD, EDS, FTIR, DRS and BET analyses. The kinetics of the reaction was also evaluated. Colour removal was more than 88%, 94% and 99%, respectively for undiluted, 2 times diluted and 5 times diluted wastewater with Ag(+) doped TiO(2) (2.5 g/L) after UV irradiation for 360 minutes. The COD removal for undiluted, 2 times diluted and 5 times diluted wastewater was 47%, 70% and 92%, respectively under similar conditions. The reaction followed Langmuir-Hinshelwood pseudo first order kinetic model and the data fitted well to polynomial regression analysis.

Scaling Effects of Cr(VI) Reduction Kinetics. The Role of Geochemical Heterogeneity

Energy Technology Data Exchange (ETDEWEB)

Wang, Li [Pennsylvania State Univ., State College, PA (United States); Li, Li [Pennsylvania State Univ., State College, PA (United States)

2015-10-22

The natural subsurface is highly heterogeneous with minerals distributed in different spatial patterns. Fundamental understanding of how mineral spatial distribution patterns regulate sorption process is important for predicting the transport and fate of chemicals. Existing studies about the sorption was carried out in well-mixed batch reactors or uniformly packed columns, with few data available on the effects of spatial heterogeneities. As a result, there is a lack of data and understanding on how spatial heterogeneities control sorption processes. In this project, we aim to understand and develop modeling capabilities to predict the sorption of Cr(VI), an omnipresent contaminant in natural systems due to its natural occurrence and industrial utilization. We systematically examine the role of spatial patterns of illite, a common clay, in determining the extent of transport limitation and scaling effects associated with Cr(VI) sorption capacity and kinetics using column experiments and reactive transport modeling. Our results showed that the sorbed mass and rates can differ by an order of magnitude due to of the illite spatial heterogeneities and transport limitation. With constraints from data, we also developed the capabilities of modeling Cr(VI) in heterogeneous media. The developed model is then utilized to understand the general principles that govern the relationship between sorption and connectivity, a key measure of the spatial pattern characteristics. This correlation can be used to estimate Cr(VI) sorption characteristics in heterogeneous porous media. Insights gained here bridge gaps between laboratory and field application in hydrogeology and geochemical field, and advance predictive understanding of reactive transport processes in the natural heterogeneous subsurface. We believe that these findings will be of interest to a large number of environmental geochemists and engineers, hydrogeologists, and those interested in contaminant fate and transport

Self-consistent nonlocal feedback theory for electrocatalytic swimmers with heterogeneous surface chemical kinetics

Science.gov (United States)

Nourhani, Amir; Crespi, Vincent H.; Lammert, Paul E.

2015-06-01

We present a self-consistent nonlocal feedback theory for the phoretic propulsion mechanisms of electrocatalytic micromotors or nanomotors. These swimmers, such as bimetallic platinum and gold rods catalyzing decomposition of hydrogen peroxide in aqueous solution, have received considerable theoretical attention. In contrast, the heterogeneous electrochemical processes with nonlocal feedback that are the actual "engines" of such motors are relatively neglected. We present a flexible approach to these processes using bias potential as a control parameter field and a locally-open-circuit reference state, carried through in detail for a spherical motor. While the phenomenological flavor makes meaningful contact with experiment easier, required inputs can also conceivably come from, e.g., Frumkin-Butler-Volmer kinetics. Previously obtained results are recovered in the weak-heterogeneity limit and improved small-basis approximations tailored to structural heterogeneity are presented. Under the assumption of weak inhomogeneity, a scaling form is deduced for motor speed as a function of fuel concentration and swimmer size. We argue that this form should be robust and demonstrate a good fit to experimental data.

Performance analysis and acceleration of explicit integration for large kinetic networks using batched GPU computations

Energy Technology Data Exchange (ETDEWEB)

Shyles, Daniel [University of Tennessee (UT); Dongarra, Jack J. [University of Tennessee, Knoxville (UTK); Guidry, Mike W. [ORNL; Tomov, Stanimire Z. [ORNL; Billings, Jay Jay [ORNL; Brock, Benjamin A. [ORNL; Haidar Ahmad, Azzam A. [ORNL

2016-09-01

Abstract—We demonstrate the systematic implementation of recently-developed fast explicit kinetic integration algorithms that solve efficiently N coupled ordinary differential equations (subject to initial conditions) on modern GPUs. We take representative test cases (Type Ia supernova explosions) and demonstrate two or more orders of magnitude increase in efficiency for solving such systems (of realistic thermonuclear networks coupled to fluid dynamics). This implies that important coupled, multiphysics problems in various scientific and technical disciplines that were intractable, or could be simulated only with highly schematic kinetic networks, are now computationally feasible. As examples of such applications we present the computational techniques developed for our ongoing deployment of these new methods on modern GPU accelerators. We show that similarly to many other scientific applications, ranging from national security to medical advances, the computation can be split into many independent computational tasks, each of relatively small-size. As the size of each individual task does not provide sufficient parallelism for the underlying hardware, especially for accelerators, these tasks must be computed concurrently as a single routine, that we call batched routine, in order to saturate the hardware with enough work.

Determination of kinetic parameters of heterogeneous isotopic exchange reaction

International Nuclear Information System (INIS)

Huang, Ting-Chia; Tsai, Fuan-Nan

1977-01-01

A mathematical model has been proposed for a heterogeneous isotopic exchange reaction which involves film diffusion, surface chemical reaction and intraparticle diffusion. The exchange equation to predict the exchange fraction as a function of time for the spherical particles immersed in a solution of finite volume has been derived. The relations between the exchange fraction and dimensionless time are plotted with xi(=ak sub(f)/KD sub(e)), xi 1 (=K 1 a 2 /D sub(e)) and final fractional uptake as parameters. From the values of the kinetic parameters xi and xi 1 , the relative importance of each limiting step is discussed. Experimental results of the isotopic exchange reaction of calcium ion in both system CaCO 3 (s)/Ca 2+ (aq) and system calcium type resin Dowex 50W-X8/Ca 2+ (aq) are coincident with the theoretical equation proposed in this study. (auth.)

Impact of kinetics and flow path heterogeneity on nanoparticle/radionuclide migration

International Nuclear Information System (INIS)

Huber, Florian M.

2011-01-01

The prevailing PhD thesis experimentally investigates the impact of both sorption/desorption (reversibility) and reduction kinetics on radionuclide migration in synthetic and natural systems from the nano-to the centimeter scale. Furthermore, the impact of fracture heterogeneity on flow and solute/nanoparticle transport as a potential additional retardation mechanism is examined both on an experimental and numerical basis. The process of sorptive reduction of U(VI) to sparingly soluble tetravalent uranium by structural bound Fe(II) in magnetite shows fast kinetics (hours to a few days contact time). A clear correlation between the Fe(II) content on the magnetite surface and the amount of U(VI) was observed, that is, increasing U(IV) with increasing Fe(II). Moreover, a congruency between the measured Eh(SHE) and the U valence state can partly been derived within the analytical uncertainties of the redox potential measurements. Thus, secondary phases as the stainless steel corrosion product magnetite can have beneficial effects on radionuclide migration as an effective retardation pathway for redox sensitive radionuclides. Beside, the studies on U(VI) maghemite sorption show that oxidized surfaces can possess long-term reduction capacities further enhancing radionuclide retention. Concerning the colloid-facilitated radionuclide transport, the batch sorption reversibility studies revealed the significance of kinetically controlled radionuclide desorption from the colloidal phase and subsequent sorption to the fracture filling materials (independent of the mineralogy and/or size fraction). By this process, initially colloidal associated radionuclides like the tri-and tetravalent radionuclides Th, Pu and Am are effectively retarded leading to an increase in the residence time. These reversibility results need to be included in codes for simulating colloid-facilitated radionuclide transport to reduce the conservatism and degree of uncertainties in input parameters

Impact of kinetics and flow path heterogeneity on nanoparticle/radionuclide migration

Energy Technology Data Exchange (ETDEWEB)

Huber, Florian M.

2011-11-29

The prevailing PhD thesis experimentally investigates the impact of both sorption/desorption (reversibility) and reduction kinetics on radionuclide migration in synthetic and natural systems from the nano-to the centimeter scale. Furthermore, the impact of fracture heterogeneity on flow and solute/nanoparticle transport as a potential additional retardation mechanism is examined both on an experimental and numerical basis. The process of sorptive reduction of U(VI) to sparingly soluble tetravalent uranium by structural bound Fe(II) in magnetite shows fast kinetics (hours to a few days contact time). A clear correlation between the Fe(II) content on the magnetite surface and the amount of U(VI) was observed, that is, increasing U(IV) with increasing Fe(II). Moreover, a congruency between the measured Eh(SHE) and the U valence state can partly been derived within the analytical uncertainties of the redox potential measurements. Thus, secondary phases as the stainless steel corrosion product magnetite can have beneficial effects on radionuclide migration as an effective retardation pathway for redox sensitive radionuclides. Beside, the studies on U(VI) maghemite sorption show that oxidized surfaces can possess long-term reduction capacities further enhancing radionuclide retention. Concerning the colloid-facilitated radionuclide transport, the batch sorption reversibility studies revealed the significance of kinetically controlled radionuclide desorption from the colloidal phase and subsequent sorption to the fracture filling materials (independent of the mineralogy and/or size fraction). By this process, initially colloidal associated radionuclides like the tri-and tetravalent radionuclides Th, Pu and Am are effectively retarded leading to an increase in the residence time. These reversibility results need to be included in codes for simulating colloid-facilitated radionuclide transport to reduce the conservatism and degree of uncertainties in input parameters

Evaluated kinetic and photochemical data for atmospheric chemistry: Volume V – heterogeneous reactions on solid substrates

Directory of Open Access Journals (Sweden)

J. N. Crowley

2010-09-01

Full Text Available This article, the fifth in the ACP journal series, presents data evaluated by the IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry. It covers the heterogeneous processes on surfaces of solid particles present in the atmosphere, for which uptake coefficients and adsorption parameters have been presented on the IUPAC website in 2010. The article consists of an introduction and guide to the evaluation, giving a unifying framework for parameterisation of atmospheric heterogeneous processes. We provide summary sheets containing the recommended uptake parameters for the evaluated processes. Four substantial appendices contain detailed data sheets for each process considered for ice, mineral dust, sulfuric acid hydrate and nitric acid hydrate surfaces, which provide information upon which the recommendations are made.

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

International Nuclear Information System (INIS)

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

2009-01-01

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

Kinetics of heterogeneous chemical reactions: a theoretical model for the accumulation of pesticides in soil.

Science.gov (United States)

Lin, S H; Sahai, R; Eyring, H

1971-04-01

A theoretical model for the accumulation of pesticides in soil has been proposed and discussed from the viewpoint of heterogeneous reaction kinetics with a basic aim to understand the complex nature of soil processes relating to the environmental pollution. In the bulk of soil, the pesticide disappears by diffusion and a chemical reaction; the rate processes considered on the surface of soil are diffusion, chemical reaction, vaporization, and regular pesticide application. The differential equations involved have been solved analytically by the Laplace-transform method.

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

International Nuclear Information System (INIS)

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

2008-01-01

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

The role of high temperature heterogeneous reaction kinetics in the rate of radionuclide vaporisation during core-concrete interactions

International Nuclear Information System (INIS)

Raymond, D.P.; Clough, P.N.

1989-09-01

Heterogeneous reactions may cause enhanced release of radionuclides during the core-concrete interaction (CCl) stage of a PWR severe accident. The VANESA computer code models these CCI releases using chemical equilibrium assumptions; however, the possibility that chemical kinetics could prevent equilibrium from being achieved is considered in this report. Direct experimental evidence is lacking on these reactions. Therefore, some analogues studies are reviewed, including examples of Eyring's surface reaction rate theory; sequential vaporisation-oxidation processes; iron and steelmaking chemistry; radionuclide evaporation from solid UO 2 . This circumstantial evidence appeared to agree with the current assumptions, in VANESA and some UK modelling studies, that mass transfer, rather than chemical kinetics will limit the rate at which equilibrium is attained. (author)

Process optimization and kinetics of biodiesel production from neem oil using copper doped zinc oxide heterogeneous nanocatalyst.

Science.gov (United States)

Gurunathan, Baskar; Ravi, Aiswarya

2015-08-01

Heterogeneous nanocatalyst has become the choice of researchers for better transesterification of vegetable oils to biodiesel. In the present study, transesterification reaction was optimized and kinetics was studied for biodiesel production from neem oil using CZO nanocatalyst. The highly porous and non-uniform surface of the CZO nanocatalyst was confirmed by AFM analysis, which leads to the aggregation of CZO nanoparticles in the form of multi layered nanostructures. The 97.18% biodiesel yield was obtained in 60min reaction time at 55°C using 10% (w/w) CZO nanocatalyst and 1:10 (v:v) oil:methanol ratio. Biodiesel yield of 73.95% was obtained using recycled nanocatalyst in sixth cycle. The obtained biodiesel was confirmed using GC-MS and (1)H NMR analysis. Reaction kinetic models were tested on biodiesel production, first order kinetic model was found fit with experimental data (R(2)=0.9452). The activation energy of 233.88kJ/mol was required for transesterification of neem oil into biodiesel using CZO nanocatalyst. Copyright © 2015 Elsevier Ltd. All rights reserved.

The Effect of Spatial Heterogeneities on Nucleation Kinetics in Amorphous Aluminum Alloys

Science.gov (United States)

Shen, Ye

The mechanical property of the Al based metallic glass could be enhanced significantly by introducing the high number density of Al-fcc nanocrystals (1021 ˜1023 m-3) to the amorphous matrix through annealing treatments, which motivates the study of the nucleation kinetics for the microstructure control. With the presence of a high number density (1025 m-3) of aluminum-like medium range order (MRO), the Al-Y-Fe metallic glass is considered to be spatially heterogeneous. Combining the classical nucleation theory with the structural configuration, a MRO seeded nucleation model has been proposed and yields theoretical steady state nucleation rates consistent with the experimental results. In addition, this model satisfies all the thermodynamic and kinetic constraints to be reasonable. Compared with the Al-Y-Fe system, the primary crystallization onset temperature decreases significantly and the transient delay time (tau) is shorter in the Al-Y-Fe-Pb(In) systems because the insoluble Pb and In nanoparticles in the amorphous matrix served as extrinsic spatial heterogeneity to provide the nucleation sites for Al-fcc precipitation and the high-resolution transmission electron microscopy (HRTEM) images of the Pb-Al interface revealed a good wetting behavior between the Al and Pb nanoparticles. The study of the transient delay time (tau) could provide insight on the transport behavior during the nucleation and a more convenient approach to evaluate the delay time has been developed by measuring the Al-Y-Fe amorphous alloy glass transition temperature (Tg) shift with the increasing annealing time (tannealing) in FlashDSC. The break point in the Tg vs. log(tannealing) plot has been identified to correspond to the delay time by the TEM characterization. FlashDSC tests with different heating rates and different compositions (Al-Y-Fe-Pb and Zn-Mg-Ca-Yb amorphous alloys) further confirmed the break point and delay time relationship. The amorphous matrix composition and the

Heterogeneous oxidation of saturated organic aerosols by hydroxyl radicals: uptake kinetics, condensed-phase products, and particle size change

Directory of Open Access Journals (Sweden)

I. J. George

2007-08-01

Full Text Available The kinetics and reaction mechanism for the heterogeneous oxidation of saturated organic aerosols by gas-phase OH radicals were investigated under NO_x-free conditions. The reaction of 150 nm diameter Bis(2-ethylhexyl sebacate (BES particles with OH was studied as a proxy for chemical aging of atmospheric aerosols containing saturated organic matter. An aerosol reactor flow tube combined with an Aerodyne time-of-flight aerosol mass spectrometer (ToF-AMS and scanning mobility particle sizer (SMPS was used to study this system. Hydroxyl radicals were produced by 254 nm photolysis of O₃ in the presence of water vapour. The kinetics of the heterogeneous oxidation of the BES particles was studied by monitoring the loss of a mass fragment of BES with the ToF-AMS as a function of OH exposure. We measured an initial OH uptake coefficient of γ₀=1.3 (±0.4, confirming that this reaction is highly efficient. The density of BES particles increased by up to 20% of the original BES particle density at the highest OH exposure studied, consistent with the particle becoming more oxidized. Electrospray ionization mass spectrometry analysis showed that the major particle-phase reaction products are multifunctional carbonyls and alcohols with higher molecular weights than the starting material. Volatilization of oxidation products accounted for a maximum of 17% decrease of the particle volume at the highest OH exposure studied. Tropospheric organic aerosols will become more oxidized from heterogeneous photochemical oxidation, which may affect not only their physical and chemical properties, but also their hygroscopicity and cloud nucleation activity.

Burning velocity of the heterogeneous flame propagation in the SHS process expressed in explicit form

International Nuclear Information System (INIS)

Makino, A.; Law, C.K.

1995-01-01

The combustion behavior of the self-propagating high-temperature synthesis (SHS) process has been the subject of many analytical and experimental investigations. Recently, a theory based on spray combustion was proposed for the SHS flame structure and propagation. In contrast to previous studies based on the homogeneous premixed flame, this theory accounts for the premixed-mode of propagation of the bulk flame and the non-premixed reaction of the dispersed nonmetal (or higher melting-point metal) particles which supports the bulk flame. Finite-rate reaction at the particle surface and the temperature-dependent, Arrhenius nature of mass diffusion are both incorporated. The heterogeneous nature of the theory has satisfactorily captured the effects of particle size on the flame propagation speed. The final solution of Makino and Law was obtained numerically and hence presented parametrically. The authors have since then derived an approximate analytical expression for the burning velocity, which explicitly displays the functional dependence of the burning velocity on the various system parameters. This result is presented herein. Applicability of this expression is examined by comparing it with the numerical results for Ti-C, Ti-B, Zr-B, Hf-B, and Co-Ti systems. A fair degree of agreement has been shown as far as the general trend and approximate magnitude are concerned

Shock interactions with heterogeneous energetic materials

Science.gov (United States)

Yarrington, Cole D.; Wixom, Ryan R.; Damm, David L.

2018-03-01

The complex physical phenomenon of shock wave interaction with material heterogeneities has significant importance and nevertheless remains little understood. In many materials, the observed macroscale response to shock loading is governed by characteristics of the microstructure. Yet, the majority of computational studies aimed at predicting phenomena affected by these processes, such as the initiation and propagation of detonation waves in explosives or shock propagation in geological materials, employ continuum material and reactive burn model treatment. In an effort to highlight the grain-scale processes that underlie the observable effects in an energetic system, a grain-scale model for hexanitrostilbene (HNS) has been developed. The measured microstructures were used to produce synthetic computational representations of the pore structure, and a density functional theory molecular dynamics derived equation of state (EOS) was used for the fully dense HNS matrix. The explicit inclusion of the microstructure along with a fully dense EOS resulted in close agreement with historical shock compression experiments. More recent experiments on the dynamic reaction threshold were also reproduced by inclusion of a global kinetics model. The complete model was shown to reproduce accurately the expected response of this heterogeneous material to shock loading. Mesoscale simulations were shown to provide a clear insight into the nature of threshold behavior and are a way to understand complex physical phenomena.

An entropy approach to size and variance heterogeneity

NARCIS (Netherlands)

Balasubramanyan, L.; Stefanou, S.E.; Stokes, J.R.

2012-01-01

In this paper, we investigate the effect of bank size differences on cost efficiency heterogeneity using a heteroskedastic stochastic frontier model. This model is implemented by using an information theoretic maximum entropy approach. We explicitly model both bank size and variance heterogeneity

Kinetics of Heterogeneous Reaction of Sulfur Dioxide on Authentic Mineral Dust: Effects of Relative Humidity and Hydrogen Peroxide.

Science.gov (United States)

Huang, Liubin; Zhao, Yue; Li, Huan; Chen, Zhongming

2015-09-15

Heterogeneous reaction of SO2 on mineral dust seems to be an important sink for SO2. However, kinetic data about this reaction on authentic mineral dust are scarce and are mainly limited to low relative humidity (RH) conditions. In addition, little is known about the role of hydrogen peroxide (H2O2) in this reaction. Here, we investigated the uptake kinetics of SO2 on three authentic mineral dusts (i.e., Asian mineral dust (AMD), Tengger desert dust (TDD), and Arizona test dust (ATD)) in the absence and presence of H2O2 at different RHs using a filter-based flow reactor, and applied a parameter (effectiveness factor) to the estimation of the effective surface area of particles for the calculation of the corrected uptake coefficient (γc). We found that with increasing RH, the γc decreases on AMD particles, but increases on ATD and TDD particles. This discrepancy is probably due to the different mineralogy compositions and aging extents of these dust samples. Furthermore, the presence of H2O2 can promote the uptake of SO2 on mineral dust at different RHs. The probable explanations are that H2O2 rapidly reacts with SO2 on mineral dust in the presence of adsorbed water, and OH radicals, which can be produced from the heterogeneous decomposition of H2O2 on the mineral dust, immediately react with adsorbed SO2 as well. Our results suggest that the removal of SO2 via the heterogeneous reaction on mineral dust is an important sink for SO2 and has the potential to alter the physicochemical properties (e.g., ice nucleation ability) of mineral dust particles in the atmosphere.

Numerical stability of finite difference algorithms for electrochemical kinetic simulations: Matrix stability analysis of the classic explicit, fully implicit and Crank-Nicolson methods and typical problems involving mixed boundary conditions

DEFF Research Database (Denmark)

Bieniasz, Leslaw K.; Østerby, Ole; Britz, Dieter

1995-01-01

The stepwise numerical stability of the classic explicit, fully implicit and Crank-Nicolson finite difference discretizations of example diffusional initial boundary value problems from electrochemical kinetics has been investigated using the matrix method of stability analysis. Special attention...... has been paid to the effect of the discretization of the mixed, linear boundary condition with time-dependent coefficients on stability, assuming the two-point forward-difference approximations for the gradient at the left boundary (electrode). Under accepted assumptions one obtains the usual...... stability criteria for the classic explicit and fully implicit methods. The Crank-Nicolson method turns out to be only conditionally stable in contrast to the current thought regarding this method....

Mixing Rules Formulation for a Kinetic Model of the Langmuir-Hinshelwood Semipredictive Type Applied to the Heterogeneous Photocatalytic Degradation of Multicomponent Mixtures

Directory of Open Access Journals (Sweden)

John Wilman Rodriguez-Acosta

2014-01-01

Full Text Available Mixing rules coupled to a semipredictive kinetic model of the Langmuir-Hinshelwood type were proposed to determine the behavior of the heterogeneous solar photodegradation with TiO2-P25 of multicomponent mixtures at pilot scale. The kinetic expressions were expressed in terms of the effective concentration of total organic carbon (xTOC. An expression was obtained in a generalized form which is a function of the mixing rules as a product of a global contribution of the reaction rate constant k′ and a mixing function fC. Kinetic parameters of the model were obtained using the Nelder and Mead (N-M algorithm. The kinetic model was validated with experimental data obtained from the degradation of binary mixtures of chlorinated compounds (DCA: dichloroacetic acid and 4-CP: 4-chlorophenol at different initial global concentration, using a CPC reactor at pilot scale. A simplex-lattice {2,3} design experiment was adopted to perform the runs.

Kinetic Uptake Studies of Powdered Materials in Solution

Directory of Open Access Journals (Sweden)

Mohamed H. Mohamed

2015-06-01

Full Text Available Challenges exist for the study of time dependent sorption processes for heterogeneous systems, especially in the case of dispersed nanomaterials in solvents or solutions because they are not well suited to conventional batch kinetic experiments. In this study, a comparison of batch versus a one-pot setup in two variable configurations was evaluated for the study of uptake kinetics in heterogeneous (solid/solution systems: (i conventional batch method; (ii one-pot system with dispersed adsorbent in solution with a semi-permeable barrier (filter paper or dialysis tubing for in situ sampling; and (iii one-pot system with an adsorbent confined in a semi-permeable barrier (dialysis tubing or filter paper barrier with ex situ sampling. The sorbent systems evaluated herein include several cyclodextrin-based polyurethane materials with two types of phenolic dyes: p-nitrophenol and phenolphthalein. The one-pot kinetics method with in situ (Method ii or ex situ (Method iii sampling described herein offers significant advantages for the study of heterogeneous sorption kinetics of highly dispersed sorbent materials with particles sizes across a range of dimensions from the micron to nanometer scale. The method described herein will contribute positively to the development of advanced studies for heterogeneous sorption processes where an assessment of the relative uptake properties is required at different experimental conditions. The results of this study will be advantageous for the study of nanomaterials with significant benefits over batch kinetic studies for a wide range of heterogeneous sorption processes.

Ultrasound assisted two-stage biodiesel synthesis from non-edible Schleichera triguga oil using heterogeneous catalyst: Kinetics and thermodynamic analysis.

Science.gov (United States)

Sarve, Antaram N; Varma, Mahesh N; Sonawane, Shriram S

2016-03-01

Present work deals with the ultrasound-assisted biodiesel production from low cost, substantial acid value kusum (Schleichera triguga) oil using a two-step method of esterification in presence of acid (H2SO4) catalyst followed by transesterification using a basic heterogeneous barium hydroxide (Ba(OH)2) catalyst. The initial acid value of kusum oil was reduced from 21.65 to 0.84 mg of KOH/g of oil, by acid catalyzed esterification with 4:1 methanol to oil molar ratio, catalyst concentration 1% (v/v), ultrasonic irradiation time 20 min at 40 °C. Then, Ba(OH)2 concentration of 3% (w/w), methanol to oil molar ratio of 9:1, ultrasonic irradiation time of 80 min, and temperature of 50 °C was found to be the optimum conditions for transesterification step and triglyceride conversion of 96.8% (wt) was achieved. This paper also examined the kinetics as well as the evaluation of thermodynamic parameters for both esterification and transesterification reactions. The lower value of activation energy and higher values of kinetic constants indicated a fast rate of reaction, which could be attributed to the physical effect of emulsification, in which the microturbulence generated due to radial motion of bubbles, creates an intimate mixing of the immiscible reactants causing the increase in the interfacial area, giving faster reaction kinetics. The positive values of Gibbs-free energy (ΔG), enthalpy (ΔH) and negative value of entropy (ΔS) revealed that both the esterification and transesterification were non-spontaneous, endothermic and endergonic reactions. Therefore, the present work has not only established the escalation obtained due to ultrasonication but also exemplified the two-step approach for synthesis of biodiesel from non-edible kusum oil based on the use of heterogeneous catalyst for the transesterification step. Copyright © 2015 Elsevier B.V. All rights reserved.

Adsorption kinetics of propane on energetically heterogeneous activated carbon

KAUST Repository

Ismail, Azhar Bin

2014-11-01

The modeling of the adsorption isotherms and kinetics of the adsorbent+adsorbate pair is essential in simulating the performance of a pressurized adsorption chiller. In this work, the adsorption kinetics is analyzed from data measured using a magnetic suspension balance. The Statistical Rate Theory describes the Dubinin-Astakhov (DA) equation and extended to obtain an expression for transient analysis. Hence both the experimental excess equilibria data and the adsorption kinetics data may then be fitted to obtain the necessary parameters to fit the curves. The results fit the data very well within 6% of the error of regression. © 2014 Elsevier Ltd.

Screening, optimization and kinetics of Jatropha curcas oil transesterification with heterogeneous catalysts

Energy Technology Data Exchange (ETDEWEB)

Zanette, Andreia F.; Barella, Rodrigo A.; Silva, Edson A. [Department of Chemical Engineering, Universidade Estadual do Oeste do Parana, Toledo (Brazil); Pergher, Sibele B.C.; Treichel, Helen; Oliveira, Debora; Mazutti, Marcio A.; Oliveira, J. Vladimir [Department of Food Engineering, URI, Campus de Erechim, CEP 99700-000, Erechim (Brazil)

2011-02-15

This work investigates the production of fatty acid methyl esters (FAME) from Jatropha curcas oil using a variety of heterogeneous catalysts: resins, zeolites, clays, hydrotalcites, aluminas and niobium oxide. For this purpose, a catalyst screening was first conducted in a batch reactor at the following operating conditions: oil to methanol molar ratio of 1:9, 6 h of reaction, 5 wt% catalyst, at 333 and 393 K. From the screening step, KSF clay and Amberlyst 15 catalysts were selected to carry out a 2{sup 3} full factorial central composite rotatable design so as to elucidate the effects of process variables on FAME yield. The optimum reaction conditions for both catalysts were found to be oil to methanol molar ratio of 1:12, 5 wt% of catalyst, 433 K and 6 h of reaction with a FAME yield of about 70 wt%. A kinetic study was then experimentally performed and a semi-empirical model was built to represent the experimental data. Finally, catalyst re-utilization in five successive batch experiments was evaluated at the optimized conditions. (author)

Conformational Diffusion and Helix Formation Kinetics

International Nuclear Information System (INIS)

Hummer, Gerhard; Garcia, Angel E.; Garde, Shekhar

2000-01-01

The time, temperature, and sequence dependences of helix formation kinetics of fully atomistic peptide models in explicit solvent are described quantitatively by a diffusive search within the coil state with barrierless transitions into the helical state. Conformational diffusion leads to nonexponential kinetics and jump-width dependences in temperature jump experiments. (c) 2000 The American Physical Society

Conformational Diffusion and Helix Formation Kinetics

Energy Technology Data Exchange (ETDEWEB)

Hummer, Gerhard [Laboratory of Chemical Physics, Building 5, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520 (United States); Garcia, Angel E. [Theoretical Biology and Biophysics Group T-10, MS K710, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Garde, Shekhar [Department of Chemical Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, New York 12180 (United States)

2000-09-18

The time, temperature, and sequence dependences of helix formation kinetics of fully atomistic peptide models in explicit solvent are described quantitatively by a diffusive search within the coil state with barrierless transitions into the helical state. Conformational diffusion leads to nonexponential kinetics and jump-width dependences in temperature jump experiments. (c) 2000 The American Physical Society.

Thermochemical conversion of biomass in smouldering combustion across scales: The roles of heterogeneous kinetics, oxygen and transport phenomena.

Science.gov (United States)

Huang, Xinyan; Rein, Guillermo

2016-05-01

The thermochemical conversion of biomass in smouldering combustion is investigated here by combining experiments and modeling at two scales: matter (1mg) and bench (100g) scales. Emphasis is put on the effect of oxygen (0-33vol.%) and oxidation reactions because these are poorly studied in the literature in comparison to pyrolysis. The results are obtained for peat as a representative biomass for which there is high-quality experimental data published previously. Three kinetic schemes are explored, including various steps of drying, pyrolysis and oxidation. The kinetic parameters are found using the Kissinger-Genetic Algorithm method, and then implemented in a one-dimensional model of heat and mass transfer. The predictions are validated with thermogravimetric and bench-scale experiments and then analyzed to unravel the role of heterogeneous reaction. This is the first time that the influence of oxygen on biomass smouldering is explained in terms of both chemistry and transport phenomena across scales. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Why Be Moral? Children's Explicit Motives for Prosocial-Moral Action

Directory of Open Access Journals (Sweden)

Sonia eSengsavang

2015-05-01

Full Text Available Recent research on young children's morality has stressed the autonomous and internal nature of children's moral motivation. However, this research has mostly focused on implicit moral motives, whereas children's explicit motives have not been investigated directly. This study examined children’s explicit motives for why they want to engage in prosocial actions and avoid antisocial behavior. A total of 195 children aged 4 to 12 years were interviewed about their motives for everyday prosocial-moral actions, as well as reported on their relationship with their parents. Children's explicit motives to abstain from antisocial behavior were found to be more external and less other-oriented than their motives for prosocial action. Motives that reflected higher levels of internal motivation became more frequent with age. Moreover, positive parent-child relationships predicted more other-oriented motives and greater explication of moral motives. Overall, the study provides evidence that children’s explicit moral motivation is far more heterogeneous than prominent theories of moral development (past and present suggest.

Why be moral? Children's explicit motives for prosocial-moral action.

Science.gov (United States)

Sengsavang, Sonia; Willemsen, Kayleen; Krettenauer, Tobias

2015-01-01

Recent research on young children's morality has stressed the autonomous and internal nature of children's moral motivation. However, this research has mostly focused on implicit moral motives, whereas children's explicit motives have not been investigated directly. This study examined children's explicit motives for why they want to engage in prosocial actions and avoid antisocial behavior. A total of 195 children aged 4-12 years were interviewed about their motives for everyday prosocial-moral actions, as well as reported on their relationship with their parents. Children's explicit motives to abstain from antisocial behavior were found to be more external and less other-oriented than their motives for prosocial action. Motives that reflected higher levels of internal motivation became more frequent with age. Moreover, positive parent-child relationships predicted more other-oriented motives and greater explication of moral motives. Overall, the study provides evidence that children's explicit moral motivation is far more heterogeneous than prominent theories of moral development (past and present) suggest.

A water activity based model of heterogeneous ice nucleation kinetics for freezing of water and aqueous solution droplets.

Science.gov (United States)

Knopf, Daniel A; Alpert, Peter A

2013-01-01

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

Heterogeneous expectations in monetary DSGE models

NARCIS (Netherlands)

Massaro, D.

2013-01-01

This paper derives a general New Keynesian framework with heterogeneous expectations by explicitly solving the micro-foundations underpinning the model. The resulting reduced form is analytically tractable and encompasses the representative rational agent benchmark as a special case. We specify a

Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

Energy Technology Data Exchange (ETDEWEB)

Washington, K.E.

1986-05-01

The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations.

Reflected kinetics model for nuclear space reactor kinetics and control scoping calculations

International Nuclear Information System (INIS)

Washington, K.E.

1986-05-01

The objective of this research is to develop a model that offers an alternative to the point kinetics (PK) modelling approach in the analysis of space reactor kinetics and control studies. Modelling effort will focus on the explicit treatment of control drums as reactivity input devices so that the transition to automatic control can be smoothly done. The proposed model is developed for the specific integration of automatic control and the solution of the servo mechanism problem. The integration of the kinetics model with an automatic controller will provide a useful tool for performing space reactor scoping studies for different designs and configurations. Such a tool should prove to be invaluable in the design phase of a space nuclear system from the point of view of kinetics and control limitations

Kinetics study of heterogeneous reactions of ozone with erucic acid using an ATR-IR flow reactor.

Science.gov (United States)

Leng, Chunbo; Hiltner, Joseph; Pham, Hai; Kelley, Judas; Mach, Mindy; Zhang, Yunhong; Liu, Yong

2014-03-07

The ozone initiated heterogeneous oxidation of erucic acid (EA) thin film was investigated using a flow system combined with attenuated total reflection infrared spectroscopy (ATR-IR) over wide ranges of ozone concentrations (0.25-60 ppm), thin film thickness (0.1-1.0 μm), temperatures (263-298 K), and relative humidities (0-80% RH) for the first time. Pseudo-first-order rate constants, kapp, and overall reactive uptake coefficients, γ, were obtained through changes in the absorbance of C[double bond, length as m-dash]O stretching bands at 1695 cm(-1), which is assigned to the carbonyl group in carboxylic acid. Results showed that the reaction followed the Langmuir-Hinshelwood mechanism and kapp was largely dominated by surface reaction over bulk phase reaction. In addition, both the kapp and the γ values showed very strong temperature dependences (∼two orders of magnitude) over the temperature range; in contrast, they only slightly increased with increasing RH values from 0-80%. According to the kapp values as a function of temperature, the activation energy for the heterogeneous reaction was estimated to be 80.6 kJ mol(-1). Our results have suggested that heterogeneous reactions between ozone and unsaturated solid surfaces likely have a substantially greater temperature dependence than liquid ones. Moreover, the hygroscopic properties of EA thin films before and after exposure to ozone were also studied by measurement of water uptake. Based on the hygroscopicity data, the insignificant RH effect on reaction kinetics was probably due to the relatively weak water uptake by the unreacted and reacted EA thin films.

Adsorption analysis equilibria and kinetics

CERN Document Server

Do, Duong D

1998-01-01

This book covers topics of equilibria and kinetics of adsorption in porous media. Fundamental equilibria and kinetics are dealt with for homogeneous as well as heterogeneous particles. Five chapters of the book deal with equilibria and eight chapters deal with kinetics. Single component as well as multicomponent systems are discussed. In kinetics analysis, we deal with the various mass transport processes and their interactions inside a porous particle. Conventional approaches as well as the new approach using Maxwell-Stefan equations are presented. Various methods to measure diffusivity, such

Heterogeneous kinetic modeling of the catalytic conversion of cycloparaffins

Science.gov (United States)

Al-Sabawi, Mustafa N.

catalytic conversions respectively, are reported. Using these data, heterogeneous kinetic models accounting for intracrystallite molecular transport, adsorption and thermal and catalytic cracking of both cycloparaffin reactants are established. Results show that undesirable hydrogen transfer reactions are more pronounced and selectively favoured against other reactions at lower reaction temperatures, while the desirable ring-opening and cracking reactions predominate at the higher reaction temperatures. Moreover, results of the present work show that while crystallite size may have an effect on the overall conversion in some situations, there is a definite effect on the selectivity of products obtained during the cracking of MCH and decalin and the cracking of MCH in a mixture with co-reactants such as 1,3,5-triisopropylbenzene. Keywords. cycloparaffins, naphthenes, fluid catalytic cracking, kinetic modeling, Y-zeolites, diffusion, adsorption, ring-opening, hydrogen transfer, catalyst selectivity.

Kinetics of small particle activation in supersaturated vapors

Energy Technology Data Exchange (ETDEWEB)

McGraw, R.; Wang, J.

2010-08-29

We examine the nucleated (with barrier) activation of perfectly wetting (zero contact angle) particles ranging from bulk size down to one nanometer. Thermodynamic properties of the particles, coated with liquid layers of varying thickness and surrounded by vapor, are analyzed. Nano-size particles are predicted to activate at relative humidity below the Kelvin curve on crossing a nucleation barrier, located at a critical liquid layer thickness such that the total particle size (core + liquid layer) equals the Kelvin radius (Fig. 1). This barrier vanishes precisely as the critical layer thickness approaches the thin layer limit and the Kelvin radius equals the radius of the particle itself. These considerations are similar to those included in Fletcher's theory (Fletcher, 1958) however the present analysis differs in several important respects. Firstly, where Fletcher used the classical prefactor-exponent form for the nucleation rate, requiring separate estimation of the kinetic prefactor, we solve a diffusion-drift equation that is equivalent to including the full Becker-Doering (BD) multi-state kinetics of condensation/evaporation along the growth coordinate. We also determine the mean first passage time (MFPT) for barrier crossing (Wedekind et al., 2007), which is shown to provide a generalization of BD nucleation kinetics especially useful for barrier heights that are considerably lower than those typically encountered in homogeneous vapor-liquid nucleation, and make explicit comparisons between the MFPT and BD kinetic models. Barrier heights for heterogeneous nucleation are computed by a thermo-dynamic area construction introduced recently to model deliquescence and efflorescence of small particles (McGraw and Lewis, 2009). In addition to providing a graphical representation of the activation process that offers new insights, the area construction provides a molecular approach that avoids explicit use of the interfacial tension. Typical barrier profiles for

Early stage crystallization kinetics in metallic glass-forming alloys

International Nuclear Information System (INIS)

Louzguine-Luzgin, Dmitri V.

2014-01-01

Highlights: • Heterogeneous nucleation may precede the homogeneous one in an alloy. • High kinetic constants and the nucleation rate at the initial stage. • Metallic glasses have heterogeneous nucleation sites which saturate later. -- Abstract: The crystallization kinetics and structural changes of a few metallic glassy alloys were monitored using X-ray diffraction, transmission electron microscopy, differential scanning and isothermal calorimetry methods. Microstructural observations were used to estimate the nucleation and growth rates. A clear comparison of the differences in the crystallization kinetics in the metallic glassy samples is observed at the early and later crystallization stages

Simple heterogeneity parametrization for sea surface temperature and chlorophyll

Science.gov (United States)

Skákala, Jozef; Smyth, Timothy J.

2016-06-01

Using satellite maps this paper offers a complex analysis of chlorophyll & SST heterogeneity in the shelf seas around the southwest of the UK. The heterogeneity scaling follows a simple power law and is consequently parametrized by two parameters. It is shown that in most cases these two parameters vary only relatively little with time. The paper offers a detailed comparison of field heterogeneity between different regions. How much heterogeneity is in each region preserved in the annual median data is also determined. The paper explicitly demonstrates how one can use these results to calculate representative measurement area for in situ networks.

Isotopes in heterogeneous catalysis

CERN Document Server

Hargreaves, Justin SJ

2006-01-01

The purpose of this book is to review the current, state-of-the-art application of isotopic methods to the field of heterogeneous catalysis. Isotopic studies are arguably the ultimate technique in in situ methods for heterogeneous catalysis. In this review volume, chapters have been contributed by experts in the field and the coverage includes both the application of specific isotopes - Deuterium, Tritium, Carbon-14, Sulfur-35 and Oxygen-18 - as well as isotopic techniques - determination of surface mobility, steady state transient isotope kinetic analysis, and positron emission profiling.

Kinetic Modeling of a Heterogeneous Fenton Oxidative Treatment of Petroleum Refining Wastewater

Science.gov (United States)

Basheer Hasan, Diya'uddeen; Abdul Raman, Abdul Aziz; Wan Daud, Wan Mohd Ashri

2014-01-01

The mineralisation kinetics of petroleum refinery effluent (PRE) by Fenton oxidation were evaluated. Within the ambit of the experimental data generated, first-order kinetic model (FKM), generalised lumped kinetic model (GLKM), and generalized kinetic model (GKM) were tested. The obtained apparent kinetic rate constants for the initial oxidation step (k 2′), their final oxidation step (k 1′), and the direct conversion to endproducts step (k 3′) were 10.12, 3.78, and 0.24 min−1 for GKM; 0.98, 0.98, and nil min−1 for GLKM; and nil, nil, and >0.005 min−1 for FKM. The findings showed that GKM is superior in estimating the mineralization kinetics. PMID:24592152

Heterogeneity in Preferences and Productivity

DEFF Research Database (Denmark)

Gørtz, Mette

This paper discusses the determinants of the retirement decision and the implications of retirement on economic well-being. The main contribution of the paper is to formulate the role of individual heterogeneity explicitly. We argue that individual heterogeneity in 1) productivity of market work...... choices of expenditure, household production and leisure for people in and around retirement. The unobserved individual heterogeneity factor is isolated by comparing cross-sectional evidence and panel data estimates of the effects of retirement on consumption and time allocation. Based on cross......-section data, we can identify a difference in consumption due to retirement status, but when the panel nature of the data is exploited, the effect of retirement on consumption is small and insignificant. Moreover, the analyses point at a large positive effect of retirement on household production. Our results...

Kinetics of heterogeneous catalysis oxidation of carbon monoxide

International Nuclear Information System (INIS)

Khawaja, Y.; Sadiq, A.

1987-10-01

An irreversible kinetic surface-reaction model, based upon the reaction of carbon monoxide nd oxygen on a catalyst surface is investigated by means of Monte Carlo simulation. The adsorbed molecules/atoms on the surface undergo both first and second order kinetic phase transitions. The first order transition is found to occur at x/sub/co=x/sub/2=0.5255 with an error bar of 0.0003, where x/sub/co is the concentration of carbon monoxide in the gas phase. The time evolution of this catalytic reaction is studied both analytically and by computer simulation. Slightly above x/sub/2, the oxygen coverage relaxation time for the oxygen is found to diverage as the inverse of 3.54 times the absolute of the difference of x/sub/2 and x/sub/co. (orig./A.B.)

Chemical kinetics: on the heterogeneous catalysis processes leading to an exchange between two phases. Example: isotopic exchange reactions; Cinetique chimique: sur les processus de catalyse 'heterogene' conduisant a un echange entre deux phases. Exemple: reactions d'echange isotopique

Energy Technology Data Exchange (ETDEWEB)

Dirian, G; Grandcollot, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1961-07-01

For an exchange reaction between a gaseous and a liquid phase proceeding by 'heterogeneous' catalysis in the liquid phase, diffusion in the liquid and the chemical reaction are two simultaneous and indivisible processes. We have nevertheless been able to establish criteria making it possible to distinguish between a really homogeneous kinetic process and a pseudo-homogeneous one. (author) [French] Pour une reaction d'echange entre une phase gazeuse et une phase liquide procedant par catalyse 'heterogene' en phase liquide, la diffusion dans le liquide et la reaction chimique sont deux etapes simultanees et indissociables. Nous avons pu neanmoins etablir des criteres permettant de distinguer entre une cinetique homogene vraie et une cinetique pseudo-homogene. (auteur)

I h and HCN channels in murine spiral ganglion neurons: tonotopic variation, local heterogeneity, and kinetic model.

Science.gov (United States)

Liu, Qing; Manis, Paul B; Davis, Robin L

2014-08-01

One of the major contributors to the response profile of neurons in the auditory pathways is the I h current. Its properties such as magnitude, activation, and kinetics not only vary among different types of neurons (Banks et al., J Neurophysiol 70:1420-1432, 1993; Fu et al., J Neurophysiol 78:2235-2245, 1997; Bal and Oertel, J Neurophysiol 84:806-817, 2000; Cao and Oertel, J Neurophysiol 94:821-832, 2005; Rodrigues and Oertel, J Neurophysiol 95:76-87, 2006; Yi et al., J Neurophysiol 103:2532-2543, 2010), but they also display notable diversity in a single population of spiral ganglion neurons (Mo and Davis, J Neurophysiol 78:3019-3027, 1997), the first neural element in the auditory periphery. In this study, we found from somatic recordings that part of the heterogeneity can be attributed to variation along the tonotopic axis because I h in the apical neurons have more positive half-activation voltage levels than basal neurons. Even within a single cochlear region, however, I h current properties are not uniform. To account for this heterogeneity, we provide immunocytochemical evidence for variance in the intracellular density of the hyperpolarization-activated cyclic nucleotide-gated channel α-subunit 1 (HCN1), which mediates I h current. We also observed different combinations of HCN1 and HCN4 α-subunits from cell to cell. Lastly, based on the physiological data, we performed kinetic analysis for the I h current and generated a mathematical model to better understand varied I h on spiral ganglion function. Regardless of whether I h currents are recorded at the nerve terminals (Yi et al., J Neurophysiol 103:2532-2543, 2010) or at the somata of spiral ganglion neurons, they have comparable mean half-activation voltage and induce similar resting membrane potential changes, and thus our model may also provide insights into the impact of I h on synaptic physiology.

Kinetics of particle deposition at heterogeneous surfaces

Science.gov (United States)

Stojiljković, D. Lj.; Vrhovac, S. B.

2017-12-01

The random sequential adsorption (RSA) approach is used to analyze adsorption of spherical particles of fixed diameter d0 on nonuniform surfaces covered by square cells arranged in a square lattice pattern. To characterize such pattern two dimensionless parameters are used: the cell size α and the cell-cell separation β, measured in terms of the particle diameter d0. Adsorption is assumed to occur if the particle (projected) center lies within a cell area. We focus on the kinetics of deposition process in the case when no more than a single disk can be placed onto any square cell (α deposition process is not consistent with the power law behavior. However, if the geometry of the pattern approaches towards ;noninteracting conditions; (β > 1), when adsorption on each cell can be decoupled, approach of the coverage fraction θ(t) to θJ becomes closer to the exponential law. Consequently, changing the pattern parameters in the present model allows to interpolate the deposition kinetics between the continuum limit and the lattice-like behavior. Structural properties of the jammed-state coverings are studied in terms of the radial distribution function g(r) and spatial distribution of particles inside the cell. Various, non-trivial spatial distributions are observed depending on the geometry of the pattern.

Heterogeneity in limb fatty acid kinetics in type 2 diabetes

DEFF Research Database (Denmark)

Sacchetti, M; Olsen, D B; Saltin, B

2005-01-01

AIMS/HYPOTHESIS: In order to test the hypothesis that disturbances in skeletal muscle fatty acid metabolism with type 2 diabetes are not equally present in the upper and lower limbs, we studied fatty acid kinetics simultaneously across the arm and leg of type 2 diabetic patients (n=6) and matched...... control subjects (n=7) for 5 h under baseline conditions and during a 4-h hyperinsulinaemic-euglycaemic clamp. METHODS: Limb fatty acid kinetics was determined by means of continuous [U-(13)C]palmitate infusion and measurement of arteriovenous differences. RESULTS: The systemic palmitate rate...... in the dysregulation of skeletal muscle fatty acid metabolism, with only the leg, but not the arm, showing an impairment of fatty acid kinetics at baseline and during a hyperinsulinaemic-euglycaemic clamp causing a physiological increase in insulin concentration....

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

International Nuclear Information System (INIS)

Emmerich, Heike; Siquieri, Ricardo

2006-01-01

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

Accounting for Heterogeneous Returns in Sequential Schooling Decisions

NARCIS (Netherlands)

Zamarro, G.

2006-01-01

This paper presents a method for estimating returns to schooling that takes into account that returns may be heterogeneous among agents and that educational decisions are made sequentially.A sequential decision model is interesting because it explicitly considers that the level of education of each

Modeling the Explicit Chemistry of Anthropogenic and Biogenic Organic Aerosols

Energy Technology Data Exchange (ETDEWEB)

Madronich, Sasha [Univ. Corporation for Atmospheric Research, Boulder, CO (United States)

2015-12-09

The atmospheric burden of Secondary Organic Aerosols (SOA) remains one of the most important yet uncertain aspects of the radiative forcing of climate. This grant focused on improving our quantitative understanding of SOA formation and evolution, by developing, applying, and improving a highly detailed model of atmospheric organic chemistry, the Generation of Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) model. Eleven (11) publications have resulted from this grant.

Depletion benchmarks calculation of random media using explicit modeling approach of RMC

International Nuclear Information System (INIS)

Liu, Shichang; She, Ding; Liang, Jin-gang; Wang, Kan

2016-01-01

Highlights: • Explicit modeling of RMC is applied to depletion benchmark for HTGR fuel element. • Explicit modeling can provide detailed burnup distribution and burnup heterogeneity. • The results would serve as a supplement for the HTGR fuel depletion benchmark. • The method of adjacent burnup regions combination is proposed for full-core problems. • The combination method can reduce memory footprint, keeping the computing accuracy. - Abstract: Monte Carlo method plays an important role in accurate simulation of random media, owing to its advantages of the flexible geometry modeling and the use of continuous-energy nuclear cross sections. Three stochastic geometry modeling methods including Random Lattice Method, Chord Length Sampling and explicit modeling approach with mesh acceleration technique, have been implemented in RMC to simulate the particle transport in the dispersed fuels, in which the explicit modeling method is regarded as the best choice. In this paper, the explicit modeling method is applied to the depletion benchmark for HTGR fuel element, and the method of combination of adjacent burnup regions has been proposed and investigated. The results show that the explicit modeling can provide detailed burnup distribution of individual TRISO particles, and this work would serve as a supplement for the HTGR fuel depletion benchmark calculations. The combination of adjacent burnup regions can effectively reduce the memory footprint while keeping the computational accuracy.

Thermal decomposition of gaseous ammonium nitrate at low pressure: kinetic modeling of product formation and heterogeneous decomposition of nitric acid.

Science.gov (United States)

Park, J; Lin, M C

2009-12-03

The thermal decomposition of ammonium nitrate, NH(4)NO(3) (AN), in the gas phase has been studied at 423-56 K by pyrolysis/mass spectrometry under low-pressure conditions using a Saalfeld reactor coated with boric acid. The sublimation of NH(4)NO(3) at 423 K was proposed to produce equal amounts of NH(3) and HNO(3), followed by the decomposition reaction of HNO(3), HNO(3) + M --> OH + NO(2) + M (where M = third-body and reactor surface). The absolute yields of N(2), N(2)O, H(2)O, and NH(3), which can be unambiguously measured and quantitatively calibrated under a constant pressure at 5-6.2 torr He are kinetically modeled using the detailed [H,N,O]-mechanism established earlier for the simulation of NH(3)-NO(2) (Park, J.; Lin, M. C. Technologies and Combustion for a Clean Environment. Proc. 4th Int. Conf. 1997, 34-1, 1-5) and ADN decomposition reactions (Park, J.; Chakraborty, D.; Lin, M. C. Proc. Combust. Inst. 1998, 27, 2351-2357). Since the homogeneous decomposition reaction of HNO(3) itself was found to be too slow to account for the consumption of reactants and the formation of products, we also introduced the heterogeneous decomposition of HNO(3) in our kinetic modeling. The heterogeneous decomposition rate of HNO(3), HNO(3) + (B(2)O(3)/SiO(2)) --> OH + NO(2) + (B(2)O(3)/SiO(2)), was determined by varying its rate to match the modeled result to the measured concentrations of NH(3) and H(2)O; the rate could be represented by k(2b) = 7.91 x 10(7) exp(-12 600/T) s(-1), which appears to be consistent with those reported by Johnston and co-workers (Johnston, H. S.; Foering, L.; Tao, Y.-S.; Messerly, G. H. J. Am. Chem. Soc. 1951, 73, 2319-2321) for HNO(3) decomposition on glass reactors at higher temperatures. Notably, the concentration profiles of all species measured could be satisfactorily predicted by the existing [H,N,O]-mechanism with the heterogeneous initiation process.

Thermal Decomposition of Gaseous Ammonium Nitrate at Low Pressure: Kinetic Modeling of Product Formation and Heterogeneous Decomposition of Nitric Acid

Science.gov (United States)

Park, J.; Lin, M. C.

2009-10-01

The thermal decomposition of ammonium nitrate, NH4NO3 (AN), in the gas phase has been studied at 423-56 K by pyrolysis/mass spectrometry under low-pressure conditions using a Saalfeld reactor coated with boric acid. The sublimation of NH4NO3 at 423 K was proposed to produce equal amounts of NH3 and HNO3, followed by the decomposition reaction of HNO3, HNO3 + M → OH + NO2 + M (where M = third-body and reactor surface). The absolute yields of N2, N2O, H2O, and NH3, which can be unambiguously measured and quantitatively calibrated under a constant pressure at 5-6.2 torr He are kinetically modeled using the detailed [H,N,O]-mechanism established earlier for the simulation of NH3-NO2 (Park, J.; Lin, M. C. Technologies and Combustion for a Clean Environment. Proc. 4th Int. Conf. 1997, 34-1, 1-5) and ADN decomposition reactions (Park, J.; Chakraborty, D.; Lin, M. C. Proc. Combust. Inst. 1998, 27, 2351-2357). Since the homogeneous decomposition reaction of HNO3 itself was found to be too slow to account for the consumption of reactants and the formation of products, we also introduced the heterogeneous decomposition of HNO3 in our kinetic modeling. The heterogeneous decomposition rate of HNO3, HNO3 + (B2O3/SiO2) → OH + NO2 + (B2O3/SiO2), was determined by varying its rate to match the modeled result to the measured concentrations of NH3 and H2O; the rate could be represented by k2b = 7.91 × 107 exp(-12 600/T) s-1, which appears to be consistent with those reported by Johnston and co-workers (Johnston, H. S.; Foering, L.; Tao, Y.-S.; Messerly, G. H. J. Am. Chem. Soc. 1951, 73, 2319-2321) for HNO3 decomposition on glass reactors at higher temperatures. Notably, the concentration profiles of all species measured could be satisfactorily predicted by the existing [H,N,O]-mechanism with the heterogeneous initiation process.

Plasma heating by kinetic Alfven wave

International Nuclear Information System (INIS)

Assis, A.S. de.

1982-01-01

The heating of a nonuniform plasma (electron-ion) due to the resonant excitation of the shear Alfven wave in the low β regime is studied using initially the ideal MHD model and posteriorly using the kinetic model. The Vlasov equation for ions and the drift kinetic equation for electrons have been used. Through the ideal MHD model, it is concluded that the energy absorption is due to the continuous spectrum (phase mixing) which the shear Alfven wave has in a nonuniform plasma. An explicit expression for the energy absorption is derived. Through the kinetic model it is concluded that the energy absorption is due to a resonant mode convertion of the incident wave into the kinetic Alfven wave which propagates away from the resonant region. Its electron Landau damping has been observed. There has been a concordance with the MHD calculations. (Author) [pt

Kinetic approach to the initial value problem in quantum field theory

International Nuclear Information System (INIS)

Lin Chi Yong; Toledo Piza, A.F.R. de.

1989-06-01

Time-dependente projection techniques developed to derive kinetic equations in the context of the quantum many-body problem are applied to φ 4 field theory. The approach is illustrated by working out the 0+1 dimensional case explicitly, including numerical solutions of the kinetic equations. Extension to higher dimensions is briefly discussed. (author) [pt

Heterogeneous Oxidation of Atmospheric Organic Aerosol: Kinetics of Changes to the Amount and Oxidation State of Particle-Phase Organic Carbon.

Science.gov (United States)

Kroll, Jesse H; Lim, Christopher Y; Kessler, Sean H; Wilson, Kevin R

2015-11-05

Atmospheric oxidation reactions are known to affect the chemical composition of organic aerosol (OA) particles over timescales of several days, but the details of such oxidative aging reactions are poorly understood. In this study we examine the rates and products of a key class of aging reaction, the heterogeneous oxidation of particle-phase organic species by the gas-phase hydroxyl radical (OH). We compile and reanalyze a number of previous studies from our laboratories involving the oxidation of single-component organic particles. All kinetic and product data are described on a common basis, enabling a straightforward comparison among different chemical systems and experimental conditions. Oxidation chemistry is described in terms of changes to key ensemble properties of the OA, rather than to its detailed molecular composition, focusing on two quantities in particular, the amount and the oxidation state of the particle-phase carbon. Heterogeneous oxidation increases the oxidation state of particulate carbon, with the rate of increase determined by the detailed chemical mechanism. At the same time, the amount of particle-phase carbon decreases with oxidation, due to fragmentation (C-C scission) reactions that form small, volatile products that escape to the gas phase. In contrast to the oxidation state increase, the rate of carbon loss is nearly uniform among most systems studied. Extrapolation of these results to atmospheric conditions indicates that heterogeneous oxidation can have a substantial effect on the amount and composition of atmospheric OA over timescales of several days, a prediction that is broadly in line with available measurements of OA evolution over such long timescales. In particular, 3-13% of particle-phase carbon is lost to the gas phase after one week of heterogeneous oxidation. Our results indicate that oxidative aging represents an important sink for particulate organic carbon, and more generally that fragmentation reactions play a major

Heterogeneous precipitation of niobium carbide in the ferrite by Monte Carlo simulations; Cinetique de precipitation heterogene du carbure de niobium dans la ferrite

Energy Technology Data Exchange (ETDEWEB)

Hin, C

2005-12-15

The precipitation of niobium carbides in industrial steels is commonly used to control the recrystallization process or the amount of interstitial atoms in solid solution. It is then important to understand the precipitation kinetics and especially the competition between homogeneous and heterogeneous precipitation, since both of them have been observed experimentally, depending on they alloy composition, microstructure and thermal treatments. We propose Monte Carlo simulations of NbC precipitation in {open_square}-iron, based on a simple atomic description of the main parameters which control the kinetic pathway: - Realistic diffusion properties, with a rapid diffusion of C atoms by interstitial jumps and a slower diffusion of Fe and Nb atoms by vacancy jumps; - A model of grain boundaries which reproduces the segregation properties of Nb and C; - A model of dislocation which interacts with solute atoms through local segregation energies and long range elastic field; - A point defect source which drives the vacancy concentration towards its equilibrium value. Depending on the precipitation conditions, Monte Carlo simulations predict different kinetic behaviors, including a transient precipitation of metastable carbides, an early segregation stage of C, wetting phenomena at grain boundaries and on dislocations and a competition between homogeneous and heterogeneous NbC precipitation. Concerning the last point, we highlight that long range elastic field due to dislocation favors clearly the heterogeneous precipitation on dislocations. To understand this effect, we have developed a heterogeneous nucleation model including the calculation of the local concentration of solute atoms around the dislocation, the change of the solubility limit relative to the solubility limit in bulk and the energy of precipitates in an elastic field. We have concluded that elastic field favors the heterogeneous precipitation through the fall in nucleation barrier. (author)

Novel swirl-flow reactor for kinetic studies of semiconductor photocatalysis

NARCIS (Netherlands)

Ray, A.K; Beenackers, A.A C M

1997-01-01

A new two-phase swirl-flow monolithic-type reactor was designed to study the kinetics of heterogeneous photocatalytic processes on immobilized semiconductor catalysts. True kinetic rate constants for destruction of a textile dye were measured as a function of wavelength of light intensity and angle

Predicting continental-scale patterns of bird species richness with spatially explicit models

DEFF Research Database (Denmark)

Rahbek, Carsten; Gotelli, Nicholas J; Colwell, Robert K

2007-01-01

the extraordinary diversity of avian species in the montane tropics, the most species-rich region on Earth. Our findings imply that correlative climatic models substantially underestimate the importance of historical factors and small-scale niche-driven assembly processes in shaping contemporary species-richness......The causes of global variation in species richness have been debated for nearly two centuries with no clear resolution in sight. Competing hypotheses have typically been evaluated with correlative models that do not explicitly incorporate the mechanisms responsible for biotic diversity gradients....... Here, we employ a fundamentally different approach that uses spatially explicit Monte Carlo models of the placement of cohesive geographical ranges in an environmentally heterogeneous landscape. These models predict species richness of endemic South American birds (2248 species) measured...

A practical approach to the sensitivity analysis for kinetic Monte Carlo simulation of heterogeneous catalysis

Science.gov (United States)

Hoffmann, Max J.; Engelmann, Felix; Matera, Sebastian

2017-01-01

Lattice kinetic Monte Carlo simulations have become a vital tool for predictive quality atomistic understanding of complex surface chemical reaction kinetics over a wide range of reaction conditions. In order to expand their practical value in terms of giving guidelines for the atomic level design of catalytic systems, it is very desirable to readily evaluate a sensitivity analysis for a given model. The result of such a sensitivity analysis quantitatively expresses the dependency of the turnover frequency, being the main output variable, on the rate constants entering the model. In the past, the application of sensitivity analysis, such as degree of rate control, has been hampered by its exuberant computational effort required to accurately sample numerical derivatives of a property that is obtained from a stochastic simulation method. In this study, we present an efficient and robust three-stage approach that is capable of reliably evaluating the sensitivity measures for stiff microkinetic models as we demonstrate using the CO oxidation on RuO2(110) as a prototypical reaction. In the first step, we utilize the Fisher information matrix for filtering out elementary processes which only yield negligible sensitivity. Then we employ an estimator based on the linear response theory for calculating the sensitivity measure for non-critical conditions which covers the majority of cases. Finally, we adapt a method for sampling coupled finite differences for evaluating the sensitivity measure for lattice based models. This allows for an efficient evaluation even in critical regions near a second order phase transition that are hitherto difficult to control. The combined approach leads to significant computational savings over straightforward numerical derivatives and should aid in accelerating the nano-scale design of heterogeneous catalysts.

Parallel alternating direction preconditioner for isogeometric simulations of explicit dynamics

KAUST Repository

Łoś, Marcin

2015-04-27

In this paper we present a parallel implementation of the alternating direction preconditioner for isogeometric simulations of explicit dynamics. The Alternating Direction Implicit (ADI) algorithm, belongs to the category of matrix-splitting iterative methods, was proposed almost six decades ago for solving parabolic and elliptic partial differential equations, see [1–4]. The new version of this algorithm has been recently developed for isogeometric simulations of two dimensional explicit dynamics [5] and steady-state diffusion equations with orthotropic heterogenous coefficients [6]. In this paper we present a parallel version of the alternating direction implicit algorithm for three dimensional simulations. The algorithm has been incorporated as a part of PETIGA an isogeometric framework [7] build on top of PETSc [8]. We show the scalability of the parallel algorithm on STAMPEDE linux cluster up to 10,000 processors, as well as the convergence rate of the PCG solver with ADI algorithm as preconditioner.

The Role of Explicit and Impelicit Memory in Stutteres

Directory of Open Access Journals (Sweden)

Golavizh Karimi-Javan

2007-07-01

Full Text Available Objective: Stuttering is one of the most common speech disorders. However, its etiology is poorly understood, and is likely to be heterogeneous. Impairment of cognitive functions such as emotional memory and attention is one of the important factors. The aim of this research is to compare explicit and implicit memory between stutterers and normal individuals and also comparison of anxiety and depression between 2 groups. Materials & Methods: This is a case-control and analytical research.The participated individuals in this research were 30 male and female stutterers and the same number as the matched control group. The control group was matched for gender, age, education and bilingualism. The cue recall task performed to investigate explicit memory and the word stem completing task for implicit memory. The anxiety and depression of the individuals were measured by using general Hygiene Questionnaire (GHQ28 in this study. The performance of the individuals was measured based on positive and negative words in explicit and implicit memory and was compared with anxiety and depression score they obtained. Data was analyzed by using independent T-test, paired T-test, U-Man Witney and Willkaxon test. Results: The data indicated that stutterers recognized less emotionally positive words in explicit memory as compared with nonstutterers. Also, stutterers recognized more emotionally negative words as compared with emotionally positive words in explicit and implicit memory tasks (P<0/05. Additionally, stutterers showed more anxiety and depression as compared to nonstutterers. This difference was significant except for depression (P0.05. Conclusion: Taking into consideration the role of cognitive functions including emotional memory in motor speech programming and the difference in the function of positive versus negative emotional memories between stutterers and nonstutterers in this research, the role of emotional memory can be considered as an important

On the compensation effect in heterogeneous catalysis

DEFF Research Database (Denmark)

Pedersen, Thomas Bligaard; Honkala, Johanna Karoliina; Logadottir, Ashildur

2003-01-01

For a class of heterogeneously catalyzed reactions, we explain the compensation effect in terms of a switching of kinetic regimes leading to a concomitant change in the apparent activation energy and in the prefactor for the overall rate of the reaction. We first use the ammonia synthesis...

Modeling in applied sciences a kinetic theory approach

CERN Document Server

Pulvirenti, Mario

2000-01-01

Modeling complex biological, chemical, and physical systems, in the context of spatially heterogeneous mediums, is a challenging task for scientists and engineers using traditional methods of analysis Modeling in Applied Sciences is a comprehensive survey of modeling large systems using kinetic equations, and in particular the Boltzmann equation and its generalizations An interdisciplinary group of leading authorities carefully develop the foundations of kinetic models and discuss the connections and interactions between model theories, qualitative and computational analysis and real-world applications This book provides a thoroughly accessible and lucid overview of the different aspects, models, computations, and methodology for the kinetic-theory modeling process Topics and Features * Integrated modeling perspective utilized in all chapters * Fluid dynamics of reacting gases * Self-contained introduction to kinetic models * Becker–Doring equations * Nonlinear kinetic models with chemical reactions * Kinet...

Reactor for in situ measurements of spatially resolved kinetic data in heterogeneous catalysis

Science.gov (United States)

Horn, R.; Korup, O.; Geske, M.; Zavyalova, U.; Oprea, I.; Schlögl, R.

2010-06-01

The present work describes a reactor that allows in situ measurements of spatially resolved kinetic data in heterogeneous catalysis. The reactor design allows measurements up to temperatures of 1300 °C and 45 bar pressure, i.e., conditions of industrial relevance. The reactor involves reactants flowing through a solid catalyst bed containing a sampling capillary with a side sampling orifice through which a small fraction of the reacting fluid (gas or liquid) is transferred into an analytical device (e.g., mass spectrometer, gas chromatograph, high pressure liquid chromatograph) for quantitative analysis. The sampling capillary can be moved with μm resolution in or against flow direction to measure species profiles through the catalyst bed. Rotation of the sampling capillary allows averaging over several scan lines. The position of the sampling orifice is such that the capillary channel through the catalyst bed remains always occupied by the capillary preventing flow disturbance and fluid bypassing. The second function of the sampling capillary is to provide a well which can accommodate temperature probes such as a thermocouple or a pyrometer fiber. If a thermocouple is inserted in the sampling capillary and aligned with the sampling orifice fluid temperature profiles can be measured. A pyrometer fiber can be used to measure the temperature profile of the solid catalyst bed. Spatial profile measurements are demonstrated for methane oxidation on Pt and methane oxidative coupling on Li/MgO, both catalysts supported on reticulated α -Al2O3 foam supports.

Voice over IP in Wireless Heterogeneous Networks

DEFF Research Database (Denmark)

Fathi, Hanane; Chakraborty, Shyam; Prasad, Ramjee

with the deployment of wireless heterogeneous systems, both speech and data traffic are carrried over wireless links by the same IP-based packet-switched infrastructure. However, this combination faces some challenges due to the inherent properties of the wireless network. The requirements for good quality VoIP...... communications are difficult to achieve in a time-varying environment due to channel errors and traffic congestion and across different systems. The provision of VoIP in wireless heterogeneous networks requires a set of time-efficient control mechanisms to support a VoIP session with acceptable quality....... The focus of Voice over IP in Wierless Heterogeneous Networks is on mechanisms that affect the VoIP user satisfaction  while not explicitly involved in the media session. This relates to the extra delays introduced by the security and the signaling protocols used to set up an authorized VoIP session...

Heterogeneous gas core reactor

International Nuclear Information System (INIS)

Han, K.I.

1977-01-01

Preliminary investigations of a heterogeneous gas core reactor (HGCR) concept suggest that this potential power reactor offers distinct advantages over other existing or conceptual reactor power plants. One of the most favorable features of the HGCR is the flexibility of the power producing system which allows it to be efficiently designed to conform to a desired optimum condition without major conceptual changes. The arrangement of bundles of moderator/coolant channels in a fissionable gas or mixture of gases makes a truly heterogeneous nuclear reactor core. It is this full heterogeneity for a gas-fueled reactor core which accounts for the novelty of the heterogeneous gas core reactor concept and leads to noted significant advantages over previous gas core systems with respect to neutron and fuel economy, power density, and heat transfer characteristics. The purpose of this work is to provide an insight into the design, operating characteristics, and safety of a heterogeneous gas core reactor system. The studies consist mainly of neutronic, energetic and kinetic analyses of the power producing and conversion systems as a preliminary assessment of the heterogeneous gas core reactor concept and basic design. The results of the conducted research indicate a high potential for the heterogeneous gas core reactor system as an electrical power generating unit (either large or small), with an overall efficiency as high as 40 to 45%. The HGCR system is found to be stable and safe, under the conditions imposed upon the analyses conducted in this work, due to the inherent safety of ann expanding gaseous fuel and the intrinsic feedback effects of the gas and water coolant

Electronic Energy Transfer in Polarizable Heterogeneous Environments

DEFF Research Database (Denmark)

Svendsen, Casper Steinmann; Kongsted, Jacob

2015-01-01

such couplings provide important insight into the strength of interaction between photo-active pigments in protein-pigment complexes. Recently, attention has been payed to how the environment modifies or even controls the electronic couplings. To enable such theoretical predictions, a fully polarizable embedding......-order multipole moments. We use this extended model to systematically examine three different ways of obtaining EET couplings in a heterogeneous medium ranging from use of the exact transition density to a point-dipole approximation. Several interesting observations are made including that explicit use...... of transition densities in the calculation of the electronic couplings - also when including the explicit environment contribution - can be replaced by a much simpler transition point charge description without comprising the quality of the model predictions....

Bet-hedging as a complex interaction among developmental instability, environmental heterogeneity, dispersal, and life-history strategy.

Science.gov (United States)

Scheiner, Samuel M

2014-02-01

One potential evolutionary response to environmental heterogeneity is the production of randomly variable offspring through developmental instability, a type of bet-hedging. I used an individual-based, genetically explicit model to examine the evolution of developmental instability. The model considered both temporal and spatial heterogeneity alone and in combination, the effect of migration pattern (stepping stone vs. island), and life-history strategy. I confirmed that temporal heterogeneity alone requires a threshold amount of variation to select for a substantial amount of developmental instability. For spatial heterogeneity only, the response to selection on developmental instability depended on the life-history strategy and the form and pattern of dispersal with the greatest response for island migration when selection occurred before dispersal. Both spatial and temporal variation alone select for similar amounts of instability, but in combination resulted in substantially more instability than either alone. Local adaptation traded off against bet-hedging, but not in a simple linear fashion. I found higher-order interactions between life-history patterns, dispersal rates, dispersal patterns, and environmental heterogeneity that are not explainable by simple intuition. We need additional modeling efforts to understand these interactions and empirical tests that explicitly account for all of these factors.

Kinetics of oxidic phase dissolution in acids

International Nuclear Information System (INIS)

Gorichev, I.G.; Kipriyanov, N.A.

1981-01-01

The critical analysis of the experimental data on dissolution kinetics of metal oxides (BeO, V 2 O 5 , UO 2 , Nb 2 O 5 , Ta 2 O 5 etc.) in acid media is carried out. Kinetic peculiarities of oxide dissolution are explained on the basis of the notions of electron- proton theory. It is established that the surface nonstoichiometric ccomposition of oxide phase and potential jump, appearing on the interface of the oxide-electrolyte phase are the important factors, determining the dissolution rate of a solid phase. The dissolution rate of metal oxides is limited by the transition of protons into the solid oxide phase. Morphological models of heterogeneous kinetics are used when explaining kinetic regularities of oxide dissolution process [ru

Numerical instability of time-discretized one-point kinetic equations

International Nuclear Information System (INIS)

Hashimoto, Kengo; Ikeda, Hideaki; Takeda, Toshikazu

2000-01-01

The one-point kinetic equations with numerical errors induced by the explicit, implicit and Crank-Nicolson integration methods are derived. The zero-power transfer functions based on the present equations are demonstrated to investigate the numerical stability of the discretized systems. These demonstrations indicate unconditional stability for the implicit and Crank-Nicolson methods but present the possibility of numerical instability for the explicit method. An upper limit of time mesh spacing for the stability is formulated and several numerical calculations are made to confirm the validity of this formula

Comparison of Ethylene/1-Hexene Copolymers Microstructures Synthesized by Homogeneous and Heterogeneous Metallocene Catalysts

Directory of Open Access Journals (Sweden)

Saeid Ahmadjo

2013-05-01

Full Text Available The substituted (bis-2-PhIndZrCl2 and non-substituted (bis-IndZrCl2 indenylbased metallocene catalysts were synthesized and used in homogenous and heterogeneous forms for copolymerization of ethylene and 1-hexene. The MCM-41 nano silica was used as support in heterogenization of the catalysts. The substituted (bis-2-PhIndZrCl2 metallocene catalyst in homogenous and heterogeneous forms showed lower activities in comparison to non-substituted (bis-IndZrCl2 metallocene catalyst. The microstructures of the obtained copolymers were investigated by techniques such as DSC, CNMR and TRRF. The kinetic study showed that the decay index (DI was decreased for both homogeneous catalysts due to unstable kinetic behaviors. However, the decay index contents approached one, using heterogeneous forms of catalyst which was an indication of stable kinetic behaviors. The kinetic results also displayed negative effect on the catalysts activities both in the homogeneous and heterogeneous forms by addition of comonomer on the polymerization. The triad distributions of obtained polymer by NMR technique exhibited the higher ratio of EEH, EHE, EEE triads than the other triads. The comonomer incorporationacceptability of substituted metallocene catalyst (bis-2-PhIndZrCl2 was higher than non-substituted catalyst (bis-IndZrCl2 as its comonomer acceptability increased from 1.3% to 5.4% by substitution mechanism. Microstructures of copolymers obtained by supported metallocene catalyst showed more non-uniform comonomer distribution in comparison with unsupported catalyst. The lamella thickness distributions for polymer obtained by supported substituted metallocene catalyst (bis-2-PhIndZrCl2 were in the ranges (3-8 . However, for supported metallocene non-substituted catalysts (bis-IndZrCl2 the lamella thickness were in the ranges (3-16 .

Heterogeneous Oxidation of Laboratory-generated Mixed Composition and Biomass Burning Particles

Science.gov (United States)

Lim, C. Y.; Sugrue, R. A.; Hagan, D. H.; Cappa, C. D.; Kroll, J. H.; Browne, E. C.

2016-12-01

Heterogeneous oxidation of organic aerosol (OA) can significantly transform the chemical and physical properties of particulate matter in the atmosphere, leading to changes to the chemical composition of OA and potential volatilization of organic compounds. It has become increasingly apparent that the heterogeneous oxidation kinetics of OA depend on the phase and morphology of the particles. However, most laboratory experiments to date have been performed on single-component, purely organic precursors, which may exhibit fundamentally different behavior than more complex particles in the atmosphere. Here we present laboratory studies of the heterogeneous oxidation of two more complex chemical systems: thin, organic coatings on inorganic seed particles and biomass burning OA. In the first system, squalane (C30H62), a model compound for reduced OA, is coated onto dry ammonium sulfate particles at various thicknesses (10-20 nm) and exposed to hydroxyl radical (OH) in a flow tube reactor. In the second, we use a semi-batch reactor to study the heterogeneous OH-initiated oxidation of biomass burning particles as a part of the 2016 FIREX campaign in Missoula, MT. The resulting changes in chemical composition are monitored with an Aerodyne High Resolution Time-of-flight Aerosol Mass Spectrometer (AMS) and a soot-particle AMS for the non-refractory and refractory systems, respectively. We show that the heterogeneous oxidation kinetics of these multicomponent particles are substantially different than that of the single-component particles. The oxidation of organic coatings is rapid, undergoing dramatic changes to carbon oxidation state and losing a significant amount of organic mass after relatively low OH exposures (equivalent to several days of atmospheric processing). In the case of biomass burning particles, the kinetics are complex, with different components (inferred by aerosol mass spectrometry) undergoing oxidation at different rates.

Source-jerk analysis using a semi-explicit inverse kinetic technique

International Nuclear Information System (INIS)

Spriggs, G.D.; Pederson, R.A.

1985-01-01

A method is proposed for measuring the effective reproduction factor, k, in subcritical systems. The method uses the transient response of a subcritical system to the sudden removal of an extraneous neutron source (i.e., a source jerk). The response is analyzed using an inverse kinetic technique that least-squares fits the exact analytical solution corresponding to a source-jerk transient as derived from the point-reactor model. It has been found that the technique can provide an accurate means of measuring k in systems that are close to critical (i.e., 0.95 < k < 1.0). As a system becomes more subcritical (i.e., k << 1.0) spatial effects can introduce significant biases depending on the source and detector positions. However, methods are available that can correct for these biases and, hence, can allow measuring subcriticality in systems with k as low as 0.5. 12 refs., 3 figs

Source-jerk analysis using a semi-explicit inverse kinetic technique

International Nuclear Information System (INIS)

Spriggs, G.D.; Pederson, R.A.

1985-01-01

A method is proposed for measuring the effective reproduction factor, k, in subcritical systems. The method uses the transient responses of a subcritical system to the sudden removal of an extraneous neutron source (i.e., a source jerk). The response is analyzed using an inverse kinetic technique that least-squares fits the exact analytical solution corresponding to a source-jerk transient as derived from the point-reactor model. It has been found that the technique can provide an accurate means of measuring k in systems that are close to critical (i.e., 0.95 < k < 1.0). As a system becomes more subcritical (i.e., k << 1.0) spatial effects can introduce significant biases depending on the source and detector positions. However, methods are available that can correct for these biases and, hence, can allow measuring subcriticality in systems with k as low as 0.5

Local kinetic-energy density of the Airy gas

DEFF Research Database (Denmark)

Vitos, Levente; Johansson, B.; Kollár, J.

2000-01-01

The Airy gas model is used to derive an expression for the local kinetic energy in the linear potential approximation. The expression contains an explicit Laplacian term 2/5((h) over bar(2)/2m)del(mu)(2)(r) that, according to jellium surface calculations, must be a universal feature of any accura...

Description of temperature dependence of phosphorescence attenuation kinetics of rose Bengal dye at presence of anthracene on the silica heterogeneous surface by the exponential regression method

International Nuclear Information System (INIS)

Karstina, S.G.; Markova, M.P.

2002-01-01

In the work rose Bengal dye (triplet energy donor) and aromatic hydrocarbon anthracene (triplet energy acceptor) were selected in the capacity of examined substances. The substances were sorption on the SiO 2 porous surface. Measurement have been conducted on the laser device allowing to register of examined composition phosphorescence with time resolution 300 ns at wave length 710 nm. In the result of attenuation kinetic analysis for rose Bengal phosphorescence the empiric formula allowing describing processes of luminescence damping on the heterogeneous surfaces with fractal structure was derived

Particle-based modeling of heterogeneous chemical kinetics including mass transfer.

Science.gov (United States)

Sengar, A; Kuipers, J A M; van Santen, Rutger A; Padding, J T

2017-08-01

Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example is heterogeneous catalysis, where reactions take place at active surfaces, but the effective reaction rates are determined by transport limitations in the bulk fluid and reaction limitations on the catalyst surface. In this work we study the macro-micro connection in a model heterogeneous catalytic reactor by means of stochastic rotation dynamics. The model is able to resolve the convective and diffusive interplay between participating species, while including adsorption, desorption, and reaction processes on the catalytic surface. Here we apply the simulation methodology to a simple straight microchannel with a catalytic strip. Dimensionless Damkohler numbers are used to comment on the spatial concentration profiles of reactants and products near the catalyst strip and in the bulk. We end the discussion with an outlook on more complicated geometries and increasingly complex reactions.

Particle-based modeling of heterogeneous chemical kinetics including mass transfer

Science.gov (United States)

Sengar, A.; Kuipers, J. A. M.; van Santen, Rutger A.; Padding, J. T.

2017-08-01

Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example is heterogeneous catalysis, where reactions take place at active surfaces, but the effective reaction rates are determined by transport limitations in the bulk fluid and reaction limitations on the catalyst surface. In this work we study the macro-micro connection in a model heterogeneous catalytic reactor by means of stochastic rotation dynamics. The model is able to resolve the convective and diffusive interplay between participating species, while including adsorption, desorption, and reaction processes on the catalytic surface. Here we apply the simulation methodology to a simple straight microchannel with a catalytic strip. Dimensionless Damkohler numbers are used to comment on the spatial concentration profiles of reactants and products near the catalyst strip and in the bulk. We end the discussion with an outlook on more complicated geometries and increasingly complex reactions.

Effect of tissue heterogeneity on quantification in positron emission tomography

International Nuclear Information System (INIS)

Blomqvist, G.; Lammertsma, A.A.; Mazoyer, B.; Wienhard, K.

1995-01-01

As a result of the limited spatial resolution of positron emission tomographic scanners, the measurements of physiological parameters are compromised by tissue heterogeneity. The effect of tissue heterogeneity on a number of parameters was studied by simulation and an analytical method. Five common tracer models were assessed. The input and tissue response functions were assumed to be free from noise and systematic errors. The kinetic model was assumed to be perfect. Two components with different kinetics were mixed in different proportions and contrast with respect to the model parameters. Different experimental protocols were investigated. Of three methods investigated for the measurement of cerebral blood flow (CBF) (steady state, dynamic, integral), the second one was least sensitive to errors caused by tissue heterogeneity and the main effect was an underestimation of the distribution volume. With the steady state method, errors in oxygen extraction fraction caused by tissue heterogeneity were always found to be less than the corresponding errors in CBF. For myocardial blood flow the steady state method was found to perform better than the bolus method. The net accumulation of substrate (i.e. rCMR glc in the case of glucose analogs) was found to be comparatively insensitive to tissue heterogeneity. Individual rate constans such as k 2 and k 3 for efflux and metabolism of the substrate in the pool of unmetabolized substrate in the tissue, respectively, were found to be more sensitive. In studies of radioligand binding, using only tracer doses, the effect of tissue heterogeneity on the parameter k on .B max could be considerable. In studies of radioligand binding using a protocol with two experiments, one with high and one with low specific activity, B max was found to be insensitive while K d was very sensitive to tissue heterogeneity. (orig.)

Effect of tissue heterogeneity on quantification in positron emission tomography

Energy Technology Data Exchange (ETDEWEB)

Blomqvist, G [Dept. of Clinical Neuroscience, Experimental Alcohol and Drug Addiction Research Section, Karolinska Hospital, Stockholm (Sweden); Lammertsma, A A [PET Methodology Group, Cyclotron Unit, MRC Clinical Sciences Centre, Royal Postgraduate Medical School, Hammersmith Hospital, London (United Kingdom); Mazoyer, B [Service Hospitalier Frederic Joliot CEA/Dept. de Biologie, Hopital d` Orsay and Antenne d` Informatique Medicale, Hopital Robert Debre, Paris (France); Wienhard, K [Max-Planck-Inst. fuer Neurologische Forschung, Koeln (Germany)

1995-07-01

As a result of the limited spatial resolution of positron emission tomographic scanners, the measurements of physiological parameters are compromised by tissue heterogeneity. The effect of tissue heterogeneity on a number of parameters was studied by simulation and an analytical method. Five common tracer models were assessed. The input and tissue response functions were assumed to be free from noise and systematic errors. The kinetic model was assumed to be perfect. Two components with different kinetics were mixed in different proportions and contrast with respect to the model parameters. Different experimental protocols were investigated. Of three methods investigated for the measurement of cerebral blood flow (CBF) (steady state, dynamic, integral), the second one was least sensitive to errors caused by tissue heterogeneity and the main effect was an underestimation of the distribution volume. With the steady state method, errors in oxygen extraction fraction caused by tissue heterogeneity were always found to be less than the corresponding errors in CBF. For myocardial blood flow the steady state method was found to perform better than the bolus method. The net accumulation of substrate (i.e. rCMR{sub glc} in the case of glucose analogs) was found to be comparatively insensitive to tissue heterogeneity. Individual rate constans such as k{sub 2} and k{sub 3} for efflux and metabolism of the substrate in the pool of unmetabolized substrate in the tissue, respectively, were found to be more sensitive. In studies of radioligand binding, using only tracer doses, the effect of tissue heterogeneity on the parameter k{sub on}.B{sub max} could be considerable. In studies of radioligand binding using a protocol with two experiments, one with high and one with low specific activity, B{sub max} was found to be insensitive while K{sub d} was very sensitive to tissue heterogeneity. (orig.)

Photocatalytic mineralization of commercial herbicides in a pilot-scale solar CPC reactor: photoreactor modeling and reaction kinetics constants independent of radiation field.

Science.gov (United States)

Colina-Márquez, Jose; Machuca-Martínez, Fiderman; Li Puma, Gianluca

2009-12-01

The six-flux absorption-scattering model (SFM) of the radiation field in the photoreactor, combined with reaction kinetics and fluid-dynamic models, has proved to be suitable to describe the degradation of water pollutants in heterogeneous photocatalytic reactors, combining simplicity and accuracy. In this study, the above approach was extended to model the photocatalytic mineralization of a commercial herbicides mixture (2,4-D, diuron, and ametryne used in Colombian sugar cane crops) in a solar, pilot-scale, compound parabolic collector (CPC) photoreactor using a slurry suspension of TiO(2). The ray-tracing technique was used jointly with the SFM to determine the direction of both the direct and diffuse solar photon fluxes and the spatial profile of the local volumetric rate of photon absorption (LVRPA) in the CPC reactor. Herbicides mineralization kinetics with explicit photon absorption effects were utilized to remove the dependence of the observed rate constants from the reactor geometry and radiation field in the photoreactor. The results showed that the overall model fitted the experimental data of herbicides mineralization in the solar CPC reactor satisfactorily for both cloudy and sunny days. Using the above approach kinetic parameters independent of the radiation field in the reactor can be estimated directly from the results of experiments carried out in a solar CPC reactor. The SFM combined with reaction kinetics and fluid-dynamic models proved to be a simple, but reliable model, for solar photocatalytic applications.

Heterogeneous precipitation of niobium carbide in the ferrite by Monte Carlo simulations

International Nuclear Information System (INIS)

Hin, C.

2005-12-01

The precipitation of niobium carbides in industrial steels is commonly used to control the recrystallization process or the amount of interstitial atoms in solid solution. It is then important to understand the precipitation kinetics and especially the competition between homogeneous and heterogeneous precipitation, since both of them have been observed experimentally, depending on they alloy composition, microstructure and thermal treatments. We propose Monte Carlo simulations of NbC precipitation in □-iron, based on a simple atomic description of the main parameters which control the kinetic pathway: - Realistic diffusion properties, with a rapid diffusion of C atoms by interstitial jumps and a slower diffusion of Fe and Nb atoms by vacancy jumps; - A model of grain boundaries which reproduces the segregation properties of Nb and C; - A model of dislocation which interacts with solute atoms through local segregation energies and long range elastic field; - A point defect source which drives the vacancy concentration towards its equilibrium value. Depending on the precipitation conditions, Monte Carlo simulations predict different kinetic behaviors, including a transient precipitation of metastable carbides, an early segregation stage of C, wetting phenomena at grain boundaries and on dislocations and a competition between homogeneous and heterogeneous NbC precipitation. Concerning the last point, we highlight that long range elastic field due to dislocation favors clearly the heterogeneous precipitation on dislocations. To understand this effect, we have developed a heterogeneous nucleation model including the calculation of the local concentration of solute atoms around the dislocation, the change of the solubility limit relative to the solubility limit in bulk and the energy of precipitates in an elastic field. We have concluded that elastic field favors the heterogeneous precipitation through the fall in nucleation barrier. (author)

Heterogeneous propellant internal ballistics: criticism and regeneration

Science.gov (United States)

Glick, R. L.

2011-10-01

Although heterogeneous propellant and its innately nondeterministic, chemically discrete morphology dominates applications, ballisticcharacterization deterministic time-mean burning rate and acoustic admittance measures' absence of explicit, nondeterministic information requires homogeneous propellant with a smooth, uniformly regressing burning surface: inadequate boundary conditions for heterogeneous propellant grained applications. The past age overcame this dichotomy with one-dimensional (1D) models and empirical knowledge from numerous, adequately supported motor developments and supplementary experiments. However, current cost and risk constraints inhibit this approach. Moreover, its fundamental science approach is more sensitive to incomplete boundary condition information (garbage-in still equals garbage-out) and more is expected. This work critiques this situation and sketches a path forward based on enhanced ballistic and motor characterizations in the workplace and approximate model and apparatus developments mentored by CSAR DNS capabilities (or equivalent).

Heterogeneous Face Attribute Estimation: A Deep Multi-Task Learning Approach.

Science.gov (United States)

Han, Hu; K Jain, Anil; Shan, Shiguang; Chen, Xilin

2017-08-10

Face attribute estimation has many potential applications in video surveillance, face retrieval, and social media. While a number of methods have been proposed for face attribute estimation, most of them did not explicitly consider the attribute correlation and heterogeneity (e.g., ordinal vs. nominal and holistic vs. local) during feature representation learning. In this paper, we present a Deep Multi-Task Learning (DMTL) approach to jointly estimate multiple heterogeneous attributes from a single face image. In DMTL, we tackle attribute correlation and heterogeneity with convolutional neural networks (CNNs) consisting of shared feature learning for all the attributes, and category-specific feature learning for heterogeneous attributes. We also introduce an unconstrained face database (LFW+), an extension of public-domain LFW, with heterogeneous demographic attributes (age, gender, and race) obtained via crowdsourcing. Experimental results on benchmarks with multiple face attributes (MORPH II, LFW+, CelebA, LFWA, and FotW) show that the proposed approach has superior performance compared to state of the art. Finally, evaluations on a public-domain face database (LAP) with a single attribute show that the proposed approach has excellent generalization ability.

Beyond the Cahn-Hilliard equation: a vacancy-based kinetic theory

International Nuclear Information System (INIS)

Nastar, M.

2011-01-01

A Self-Consistent Mean Field (SCMF) kinetic theory including an explicit description of the vacancy diffusion mechanism is developed. The present theory goes beyond the usual local equilibrium hypothesis. It is applied to the study of the early time spinodal decomposition in alloys. The resulting analytical expression of the structure function highlights the contribution of the vacancy diffusion mechanism. Instead of the single amplification rate of the Cahn-Hillard linear theory, the linearized SCMF kinetic equations involve three constant rates, first one describing the vacancy relaxation kinetics, second one related to the kinetic coupling between local concentrations and pair correlations and the third one representing the spinodal amplification rate. Starting from the same vacancy diffusion model, we perform kinetic Monte Carlo simulations of a Body Centered Cubic (BCC) demixting alloy. The resulting spherically averaged structure function is compared to the SCMF predictions. Both qualitative and quantitative agreements are satisfying. (authors)

The quasi-invariant limit for a kinetic model of sociological collective behavior

OpenAIRE

Boudin , Laurent; Salvarani , Francesco

2009-01-01

International audience; The paper is devoted to the study of the asymptotic behaviour of a kinetic model proposed to forecast the phenomenon of opinion formation, with both effect of self-thinking and compromise between individuals. By supposing that the effects of self-thinking and compromise are very weak, we deduce, asymptotically, some simpler models who lose the kinetic structure. We explicitly characterize the asymptotic state of the limiting equation and study the speed of convergence ...

Stability and dynamics of reactors with heterogeneously catalyzed reactions

Energy Technology Data Exchange (ETDEWEB)

Eigenberger, G [BASF A.G., Ludwigshafen am Rhein (Germany, F.R.)

1978-12-01

Our knowledge of causes and consequences of problems arising from instability and dynamic effects in reactors with heterogeneously catalyzed reactions has increased remarkably in recent years. Especially thermal effects, caused by the self-acceleration of an exothermic reaction in combination with heat and mass transport, are now well understood. In addition, kinetic effects, i.e. phenomena which have to be explained by the kinetic peculiarities of surface reactions, have attracted increasing interest. For both cases the state of the art will be reviewed, highlighting the physical and chemical causes of the observed phenomena.

Gravity discharge vessel revisited: An explicit Lambert W function solution

Science.gov (United States)

Digilov, Rafael M.

2017-07-01

Based on the generalized Poiseuille equation modified by a kinetic energy correction, an explicit solution for the time evolution of a liquid column draining under gravity through an exit capillary tube is derived in terms of the Lambert W function. In contrast to the conventional exponential behavior, as implied by the Poiseuille law, a new analytical solution gives a full account for the volumetric flow rate of a fluid through a capillary of any length and improves the precision of viscosity determination. The theoretical consideration may be of interest to students as an example of how implicit equations in the field of physics can be solved analytically using the Lambert function.

Accounting for small scale heterogeneity in ecohydrologic watershed models

Science.gov (United States)

Burke, W.; Tague, C.

2017-12-01

Spatially distributed ecohydrologic models are inherently constrained by the spatial resolution of their smallest units, below which land and processes are assumed to be homogenous. At coarse scales, heterogeneity is often accounted for by computing store and fluxes of interest over a distribution of land cover types (or other sources of heterogeneity) within spatially explicit modeling units. However this approach ignores spatial organization and the lateral transfer of water and materials downslope. The challenge is to account both for the role of flow network topology and fine-scale heterogeneity. We present a new approach that defines two levels of spatial aggregation and that integrates spatially explicit network approach with a flexible representation of finer-scale aspatial heterogeneity. Critically, this solution does not simply increase the resolution of the smallest spatial unit, and so by comparison, results in improved computational efficiency. The approach is demonstrated by adapting Regional Hydro-Ecologic Simulation System (RHESSys), an ecohydrologic model widely used to simulate climate, land use, and land management impacts. We illustrate the utility of our approach by showing how the model can be used to better characterize forest thinning impacts on ecohydrology. Forest thinning is typically done at the scale of individual trees, and yet management responses of interest include impacts on watershed scale hydrology and on downslope riparian vegetation. Our approach allow us to characterize the variability in tree size/carbon reduction and water transfers between neighboring trees while still capturing hillslope to watershed scale effects, Our illustrative example demonstrates that accounting for these fine scale effects can substantially alter model estimates, in some cases shifting the impacts of thinning on downslope water availability from increases to decreases. We conclude by describing other use cases that may benefit from this approach

Effects of electrostatic interactions on ligand dissociation kinetics

Science.gov (United States)

Erbaş, Aykut; de la Cruz, Monica Olvera; Marko, John F.

2018-02-01

We study unbinding of multivalent cationic ligands from oppositely charged polymeric binding sites sparsely grafted on a flat neutral substrate. Our molecular dynamics simulations are suggested by single-molecule studies of protein-DNA interactions. We consider univalent salt concentrations spanning roughly a 1000-fold range, together with various concentrations of excess ligands in solution. To reveal the ionic effects on unbinding kinetics of spontaneous and facilitated dissociation mechanisms, we treat electrostatic interactions both at a Debye-Hückel (DH) (or implicit ions, i.e., use of an electrostatic potential with a prescribed decay length) level and by the more precise approach of considering all ionic species explicitly in the simulations. We find that the DH approach systematically overestimates unbinding rates, relative to the calculations where all ion pairs are present explicitly in solution, although many aspects of the two types of calculation are qualitatively similar. For facilitated dissociation (FD) (acceleration of unbinding by free ligands in solution) explicit-ion simulations lead to unbinding at lower free-ligand concentrations. Our simulations predict a variety of FD regimes as a function of free-ligand and ion concentrations; a particularly interesting regime is at intermediate concentrations of ligands where nonelectrostatic binding strength controls FD. We conclude that explicit-ion electrostatic modeling is an essential component to quantitatively tackle problems in molecular ligand dissociation, including nucleic-acid-binding proteins.

Types of high self-esteem and prejudice: how implicit self-esteem relates to ethnic discrimination among high explicit self-esteem individuals.

Science.gov (United States)

Jordan, Christian H; Spencer, Steven J; Zanna, Mark P

2005-05-01

There is increasing recognition that high self-esteem is heterogeneous. Recent research suggests that individuals who report having high self-esteem (i.e., have high explicit self-esteem) behave more defensively to the extent that they have relatively low implicit self-esteem. The current studies test whether individuals with high explicit self-esteem are more likely to discriminate ethnically, as a defensive technique, to the extent that they have relatively low implicit self-esteem. The results support this prediction. Among participants with high explicit self-esteem, all of whom were threatened by negative performance feedback, those with relatively low implicit self-esteem recommended a more severe punishment for a Native, but not a White, student who started a fist-fight. In Study 2, this pattern was not apparent for participants with relatively low explicit self-esteem.

Modeling mixed retention and early arrivals in multidimensional heterogeneous media using an explicit Lagrangian scheme

Science.gov (United States)

Zhang, Yong; Meerschaert, Mark M.; Baeumer, Boris; LaBolle, Eric M.

2015-08-01

This study develops an explicit two-step Lagrangian scheme based on the renewal-reward process to capture transient anomalous diffusion with mixed retention and early arrivals in multidimensional media. The resulting 3-D anomalous transport simulator provides a flexible platform for modeling transport. The first step explicitly models retention due to mass exchange between one mobile zone and any number of parallel immobile zones. The mobile component of the renewal process can be calculated as either an exponential random variable or a preassigned time step, and the subsequent random immobile time follows a Hyper-exponential distribution for finite immobile zones or a tempered stable distribution for infinite immobile zones with an exponentially tempered power-law memory function. The second step describes well-documented early arrivals which can follow streamlines due to mechanical dispersion using the method of subordination to regional flow. Applicability and implementation of the Lagrangian solver are further checked against transport observed in various media. Results show that, although the time-nonlocal model parameters are predictable for transport with retention in alluvial settings, the standard time-nonlocal model cannot capture early arrivals. Retention and early arrivals observed in porous and fractured media can be efficiently modeled by our Lagrangian solver, allowing anomalous transport to be incorporated into 2-D/3-D models with irregular flow fields. Extensions of the particle-tracking approach are also discussed for transport with parameters conditioned on local aquifer properties, as required by transient flow and nonstationary media.

Working memory moderates the effect of the integrative process of implicit and explicit autonomous motivation on academic achievement.

Science.gov (United States)

Gareau, Alexandre; Gaudreau, Patrick

2017-11-01

In previous research, autonomous motivation (AM) has been found to be associated with school achievement, but the relation has been largely heterogeneous across studies. AM has typically been assessed with explicit measures such as self-report questionnaires. Recent self-determination theory (SDT) research has suggested that converging implicit and explicit measures can be taken to characterize the integrative process in SDT. Drawing from dual-process theories, we contended that explicit AM is likely to promote school achievement when it is part of an integrated cognitive system that combines easily accessible mental representations (i.e., implicit AM) and efficient executive functioning. A sample of 272 university students completed a questionnaire and a lexical decision task to assess their explicit and implicit AM, respectively, and they also completed working memory capacity measures. Grades were obtained at the end of the semester to examine the short-term prospective effect of implicit and explicit AM, working memory, and their interaction. Results of moderation analyses have provided support for a synergistic interaction in which the association between explicit AM and academic achievement was positive and significant only for individuals with high level of implicit AM. Moreover, working memory was moderating the synergistic effect of explicit and implicit AM. Explicit AM was positively associated with academic achievement for students with average-to-high levels of working memory capacity, but only if their motivation operated synergistically with high implicit AM. The integrative process thus seems to hold better proprieties for achievement than the sole effect of explicit AM. Implications for SDT are outlined. © 2017 The British Psychological Society.

Dynamic behavior of homogeneous and heterogeneous LMFBR core-design concepts

International Nuclear Information System (INIS)

Chang, Y.I.; Henryson, H. II; Orechwa, Y.; Su, S.F.; Greenman, G.; Blomquist, R.

1981-01-01

The emphasis is placed on obtaining an understanding of the inherent difference between homogeneous and heterogeneous core configurations regarding neutronic characteristics related to the dynamic behavior. The space-time neutronic and thermal-hydraulic behavior was analyzed in detail for various core configurations by using the FX2-TH, a two-dimensional kinetics code with thermal-hydraulic feedback. In addition, the relationship between the flux tilt and the fundamental-to-first harmonic eigenvalue separation, and the sodium void reactivity in heterogeneous cores were also sutdied

Evaluation of neutron streaming in fast breeder reactor fuel assembly by double heterogeneous modelling

International Nuclear Information System (INIS)

Unesaki, Hironobu; Takeda, Toshikazu

1988-01-01

Neutron streaming in a fast breeder reactor fuel assembly caused by the double heterogeneity structure is estimated by double heterogeneous modelling. The conventional pin cell model, a two-region subassembly model and the exact pin cluster model are used to take into account the streaming effect caused by the pin cell structure and the surrounding wrapper tube structure. The heterogeneity of wrapper tube and its surrounding sodium is explicitly considered. The streaming effect is evaluated based on Benoist's diffusion coefficient. The total streaming effect caused by the double heterogeneity structure of a fuel subassembly is found to be -0.2 % dk/kk' for k eff , which is almost twice that obtained from the conventional pin cell model of -0.1 % dk/kk'. (author)

Irreversible adsorption of particles on heterogeneous surfaces.

Science.gov (United States)

Adamczyk, Zbigniew; Jaszczółt, Katarzyna; Michna, Aneta; Siwek, Barbara; Szyk-Warszyńska, Lilianna; Zembala, Maria

2005-12-30

Methods of theoretical and experimental evaluation of irreversible adsorption of particles, e.g., colloids and globular proteins at heterogeneous surfaces were reviewed. The theoretical models were based on the generalized random sequential adsorption (RSA) approach. Within the scope of these models, localized adsorption of particles occurring as a result of short-ranged attractive interactions with discrete adsorption sites was analyzed. Monte-Carlo type simulations performed according to this model enabled one to determine the initial flux, adsorption kinetics, jamming coverage and the structure of the particle monolayer as a function of the site coverage and the particle/site size ratio, denoted by lambda. It was revealed that the initial flux increased significantly with the site coverage theta(s) and the lambda parameter. This behavior was quantitatively interpreted in terms of the scaled particle theory. It also was demonstrated that particle adsorption kinetics and the jamming coverage increased significantly, at fixed site coverage, when the lambda parameter increased. Practically, for alpha = lambda2theta(s) > 1 the jamming coverage at the heterogeneous surfaces attained the value pertinent to continuous surfaces. The results obtained prove unequivocally that spherically shaped sites were more efficient in binding particles in comparison with disk-shaped sites. It also was predicted that for particle size ratio lambda charge. Particle deposition occurred under diffusion-controlled transport conditions and their coverage was evaluated by direct particle counting using the optical and electron microscopy. Adsorption kinetics was quantitatively interpreted in terms of numerical solutions of the governing diffusion equation with the non-linear boundary condition derived from Monte-Carlo simulations. It was proven that for site coverage as low as a few percent the initial flux at heterogeneous surfaces attained the maximum value pertinent to homogeneous

Pharmacokinetic Tumor Heterogeneity as a Prognostic Biomarker for Classifying Breast Cancer Recurrence Risk.

Science.gov (United States)

Mahrooghy, Majid; Ashraf, Ahmed B; Daye, Dania; McDonald, Elizabeth S; Rosen, Mark; Mies, Carolyn; Feldman, Michael; Kontos, Despina

2015-06-01

Heterogeneity in cancer can affect response to therapy and patient prognosis. Histologic measures have classically been used to measure heterogeneity, although a reliable noninvasive measurement is needed both to establish baseline risk of recurrence and monitor response to treatment. Here, we propose using spatiotemporal wavelet kinetic features from dynamic contrast-enhanced magnetic resonance imaging to quantify intratumor heterogeneity in breast cancer. Tumor pixels are first partitioned into homogeneous subregions using pharmacokinetic measures. Heterogeneity wavelet kinetic (HetWave) features are then extracted from these partitions to obtain spatiotemporal patterns of the wavelet coefficients and the contrast agent uptake. The HetWave features are evaluated in terms of their prognostic value using a logistic regression classifier with genetic algorithm wrapper-based feature selection to classify breast cancer recurrence risk as determined by a validated gene expression assay. Receiver operating characteristic analysis and area under the curve (AUC) are computed to assess classifier performance using leave-one-out cross validation. The HetWave features outperform other commonly used features (AUC = 0.88 HetWave versus 0.70 standard features). The combination of HetWave and standard features further increases classifier performance (AUCs 0.94). The rate of the spatial frequency pattern over the pharmacokinetic partitions can provide valuable prognostic information. HetWave could be a powerful feature extraction approach for characterizing tumor heterogeneity, providing valuable prognostic information.

Coupling Chemical Kinetics and Flashes in Reactive, Thermal and Compositional Reservoir Simulation

DEFF Research Database (Denmark)

Kristensen, Morten Rode; Gerritsen, Margot G.; Thomsen, Per Grove

2007-01-01

of convergence and error test failures by more than 50% compared to direct integration without the new algorithm. To facilitate the algorithmic development we construct a virtual kinetic cell model. We use implicit one-step ESDIRK (Explicit Singly Diagonal Implicit Runge-Kutta) methods for integration...... of the kinetics. The kinetic cell model serves both as a tool for the development and testing of tailored solvers as well as a testbed for studying the interactions between chemical kinetics and phase behavior. A comparison between a Kvalue correlation based approach and a more rigorous equation of state based......Phase changes are known to cause convergence problems for integration of stiff kinetics in thermal and compositional reservoir simulations. We propose an algorithm for detection and location of phase changes based on discrete event system theory. The algorithm provides a robust way for handling...

Process Simulation for the Design and Scale Up of Heterogeneous Catalytic Process: Kinetic Modelling Issues

Directory of Open Access Journals (Sweden)

Antonio Tripodi

2017-05-01

Full Text Available Process simulation represents an important tool for plant design and optimization, either applied to well established or to newly developed processes. Suitable thermodynamic packages should be selected in order to properly describe the behavior of reactors and unit operations and to precisely define phase equilibria. Moreover, a detailed and representative kinetic scheme should be available to predict correctly the dependence of the process on its main variables. This review points out some models and methods for kinetic analysis specifically applied to the simulation of catalytic processes, as a basis for process design and optimization. Attention is paid also to microkinetic modelling and to the methods based on first principles, to elucidate mechanisms and independently calculate thermodynamic and kinetic parameters. Different case studies support the discussion. At first, we have selected two basic examples from the industrial chemistry practice, e.g., ammonia and methanol synthesis, which may be described through a relatively simple reaction pathway and the relative available kinetic scheme. Then, a more complex reaction network is deeply discussed to define the conversion of bioethanol into syngas/hydrogen or into building blocks, such as ethylene. In this case, lumped kinetic schemes completely fail the description of process behavior. Thus, in this case, more detailed—e.g., microkinetic—schemes should be available to implement into the simulator. However, the correct definition of all the kinetic data when complex microkinetic mechanisms are used, often leads to unreliable, highly correlated parameters. In such cases, greater effort to independently estimate some relevant kinetic/thermodynamic data through Density Functional Theory (DFT/ab initio methods may be helpful to improve process description.

TCP isoeffect analysis using a heterogeneous distribution of radiosensitivity

International Nuclear Information System (INIS)

Carlone, Marco; Wilkins, David; Nyiri, Balazs; Raaphorst, Peter

2004-01-01

A formula for the α/β ratio is derived using the heterogeneous (population averaged) tumor control model. This formula is nearly identical to the formula obtained using the homogeneous (individual) tumor control model, but the new formula includes extra terms showing that the α/β ratio, the ratio of the mean value of α divided by the mean value of β that would be observed in a patient population, explicitly depends on the survival level and heterogeneity. The magnitude of this correction is estimated for prostate cancer, and this appears to raise the mean value of the ratio estimate by about 20%. The method also allows investigation of confidence limits for α/β based on a population distribution of radiosensitivity. For a widely heterogeneous population, the upper 95% confidence interval for the α/β ratio can be as high as 7.3 Gy, even though the population mean is between 2.3 and 2.6 Gy

Selective heterogeneous catalytic hydrogenation of ketone (C═O) to alcohol (OH) by magnetite nanoparticles following Langmuir-Hinshelwood kinetic approach.

Science.gov (United States)

Shah, Muhammad Tariq; Balouch, Aamna; Rajar, Kausar; Sirajuddin; Brohi, Imdad Ali; Umar, Akrajas Ali

2015-04-01

Magnetite nanoparticles were successfully synthesized and effectively employed as heterogeneous catalyst for hydrogenation of ketone moiety to alcohol moiety by NaBH4 under the microwave radiation process. The improvement was achieved in percent recovery of isopropyl alcohol by varying and optimizing reaction time, power of microwave radiations and amount of catalyst. The catalytic study revealed that acetone would be converted into isopropyl alcohol (IPA) with 99.5% yield in short period of reaction time, using 10 μg of magnetite NPs (Fe3O4). It was observed that the catalytic hydrogenation reaction, followed second-order of reaction and the Langmuir-Hinshelwood kinetic mechanism, which elucidated that both reactants get adsorb onto the surface of silica coated magnetite nanocatalyst to react. Consequently, the rate-determining step was the surface reaction of acetone and sodium borohydride. The current study revealed an environment friendly conversion of acetone to IPA on the basis of its fast, efficient, and highly economical method of utilization of microwave irradiation process and easy catalyst recovery.

Modelling Preference Heterogeneity for Theatre Tickets

DEFF Research Database (Denmark)

Baldin, Andrea; Bille, Trine

2018-01-01

This article analyses the behavioural choice for theatre tickets using a rich data set for 2010–2013 from the sale system of the Royal Danish National Theatre. A consumer who decides to attend a theatre production faces multiple sources of price variation that involves a choice by the consumer...... among different ticket alternatives. Three modelling approaches are proposed in order to model ticket purchases: conditional logit with socio-demographic characteristics, nested logit and latent class. These models allow us explicitly to take into account consumers’ preference heterogeneity with respect...... of behaviour in the choice of theatre ticket....

Thermogravimetric kinetic study of agricultural residue biomass pyrolysis based on combined kinetics.

Science.gov (United States)

Wang, Xun; Hu, Mian; Hu, Wanyong; Chen, Zhihua; Liu, Shiming; Hu, Zhiquan; Xiao, Bo

2016-11-01

Pyrolytic kinetic of an agricultural residue (AR) feedstock, a mixture of plants (cotton, wheat, rich, corn) stems, was investigated based on combined kinetics. The most suitable mechanism for AR one-step pyrolysis was f(α)=(1-α)(1.1816)α(-1.8428) with kinetic parameters of: apparent activation energy 221.7kJ/mol, pre-exponential factor 4.17E16s(-1). Pyrolysis of AR feedstock could not be described by one-step reaction attributes to heterogeneous features of pyrolysis processes. Combined kinetics three-parallel-reaction (CK-TPR) model fitted the pyrolysis experimental data very well. Reaction mechanisms for pseudo hemicelluloses, cellulose, lignin in CK-TPR model was f(α)=(1-α)(1.6244)α(-0.3371)[-ln(1-α)](-0.0515), f(α)=(1-α)(1.0597)α(-0.6909)[-ln(1-α)](0.9026) and f(α)=(1-α)(2.9577)α(-4.7719), respectively. Apparent activation energy of three pseudo components followed the order of Elignin(197.3kJ/mol)>Ecellulose(176.3kJ/mol)>Ehemicelluloses (151.1kJ/mol). Mechanism of hemicelluloses pyrolysis could be further expressed as f(α)=(1-α)(1.4). The pyrolytic mechanism of cellulose met the Nucleation well. However, mechanism of lignin pyrolysis was complex, which possibly was the combined effects of Nucleation, Diffusion, Geometrical contraction, and Power law. Copyright © 2016 Elsevier Ltd. All rights reserved.

Indoor air purificaton using heterogeneous photocatalytic oxidation, Part 2: Kinetic study

NARCIS (Netherlands)

Yu, Q.; Ballari, M.; Brouwers, H.J.H.

2010-01-01

In part I to this article [1], the application of the heterogeneous photocatalytic oxidation (PCO) theory for the indoor air quality improvement was presented. With a modified TiO2 that can be activated by visible light as the photocatalyst coated on a special wall paper, and one typical indoor air

Comparing implicit and explicit semantic access of direct and indirect word pairs in schizophrenia to evaluate models of semantic memory.

Science.gov (United States)

Neill, Erica; Rossell, Susan Lee

2013-02-28

Semantic memory deficits in schizophrenia (SZ) are profound, yet there is no research comparing implicit and explicit semantic processing in the same participant sample. In the current study, both implicit and explicit priming are investigated using direct (LION-TIGER) and indirect (LION-STRIPES; where tiger is not displayed) stimuli comparing SZ to healthy controls. Based on a substantive review (Rossell and Stefanovic, 2007) and meta-analysis (Pomarol-Clotet et al., 2008), it was predicted that SZ would be associated with increased indirect priming implicitly. Further, it was predicted that SZ would be associated with abnormal indirect priming explicitly, replicating earlier work (Assaf et al., 2006). No specific hypotheses were made for implicit direct priming due to the heterogeneity of the literature. It was hypothesised that explicit direct priming would be intact based on the structured nature of this task. The pattern of results suggests (1) intact reaction time (RT) and error performance implicitly in the face of abnormal direct priming and (2) impaired RT and error performance explicitly. This pattern confirms general findings regarding implicit/explicit memory impairments in SZ whilst highlighting the unique pattern of performance specific to semantic priming. Finally, priming performance is discussed in relation to thought disorder and length of illness. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Efficient integration of stiff kinetics with phase change detection for reactive reservoir processes

DEFF Research Database (Denmark)

Kristensen, Morten Rode; Gerritsen, Margot G.; Thomsen, Per Grove

2007-01-01

We propose the use of implicit one-step Explicit Singly Diagonal Implicit Runge-Kutta (ESDIRK) methods for integration of the stiff kinetics in reactive, compositional and thermal processes that are solved using operator-splitting type approaches. To facilitate the algorithmic development we...

Observed and unobserved heterogeneity in stochastic frontier models: An application to the electricity distribution industry

International Nuclear Information System (INIS)

Kopsakangas-Savolainen, Maria; Svento, Rauli

2011-01-01

In this study we combine different possibilities to model firm level heterogeneity in stochastic frontier analysis. We show that both observed and unobserved heterogeneities cause serious biases in inefficiency results. Modelling observed and unobserved heterogeneities treat individual firms in different ways and even though the expected mean inefficiency scores in both cases diminish the firm level efficiency rank orders turn out to be very different. The best fit with the data is obtained by modelling unobserved heterogeneity through randomizing frontier parameters and at the same time explicitly modelling the observed heterogeneity into the inefficiency distribution. These results are obtained by using data from Finnish electricity distribution utilities and the results are relevant in relation to electricity distribution pricing and regulation. -- Research Highlights: → We show that both observed and unobserved heterogeneities of firms cause biases in inefficiency results. → Different ways of accounting firm level heterogeneity end up with very different rank orders of firms. → The model which combines the characteristics of unobserved and observed heterogeneity fits the data best.

Kinetic theory of flocking: derivation of hydrodynamic equations.

Science.gov (United States)

Ihle, Thomas

2011-03-01

It is shown how to explicitly coarse-grain the microscopic dynamics of the rule-based Vicsek model for self-propelled agents. The hydrodynamic equations are derived by means of an Enskog-type kinetic theory. Expressions for all transport coefficients are given. The transition from a disordered to a flocking state, which at large particle speeds appears to be a fluctuation-induced first-order phase transition, is studied numerically and analytically.

Neutron inverse kinetics via Gaussian Processes

International Nuclear Information System (INIS)

Picca, Paolo; Furfaro, Roberto

2012-01-01

Highlights: ► A novel technique for the interpretation of experiments in ADS is presented. ► The technique is based on Bayesian regression, implemented via Gaussian Processes. ► GPs overcome the limits of classical methods, based on PK approximation. ► Results compares GPs and ANN performance, underlining similarities and differences. - Abstract: The paper introduces the application of Gaussian Processes (GPs) to determine the subcriticality level in accelerator-driven systems (ADSs) through the interpretation of pulsed experiment data. ADSs have peculiar kinetic properties due to their special core design. For this reason, classical – inversion techniques based on point kinetic (PK) generally fail to generate an accurate estimate of reactor subcriticality. Similarly to Artificial Neural Networks (ANNs), Gaussian Processes can be successfully trained to learn the underlying inverse neutron kinetic model and, as such, they are not limited to the model choice. Importantly, GPs are strongly rooted into the Bayes’ theorem which makes them a powerful tool for statistical inference. Here, GPs have been designed and trained on a set of kinetics models (e.g. point kinetics and multi-point kinetics) for homogeneous and heterogeneous settings. The results presented in the paper show that GPs are very efficient and accurate in predicting the reactivity for ADS-like systems. The variance computed via GPs may provide an indication on how to generate additional data as function of the desired accuracy.

Agent-based land markets: Heterogeneous agents, land proces and urban land use change

NARCIS (Netherlands)

Filatova, Tatiana; Parker, Dawn C.; van der Veen, A.; Amblard, F.

2007-01-01

We construct a spatially explicit agent-based model of a bilateral land market. Heterogeneous agents form their bid and ask prices for land based on the utility that they obtain from a certain location (houte/land) and base on the state of the market (an excess of demand or supply). We underline the

Single Event Kinetic Modelling without Explicit Generation of Large Networks: Application to Hydrocracking of Long Paraffins Modélisation cinétique par événements constitutifs sans génération explicite de grands réseaux : application à l’hydrocraquage des paraffines longues

Directory of Open Access Journals (Sweden)

Guillaume D.

2011-08-01

Full Text Available The single event modelling concept allows developing kinetic models for the simulation of refinery processes. For reaction networks with several hundreds of thousands of species, as is the case for catalytic reforming, rigorous relumping by carbon atom number and branching degree were efficiently employed by assuming chemical equilibrium in each lump. This relumping technique yields a compact lumped model without any loss of information, but requires the full detail of an explicitly generated reaction network. Classic network generation techniques become impractical when the hydrocarbon species contain more than approximately 20 carbon atoms, because of the extremely rapid growth of reaction network. Hence, implicit relumping techniques were developed in order to compute lumping coefficients without generating the detailed reaction network. Two alternative and equivalent approaches are presented, based either on structural classes or on lateral chain decomposition. These two methods are discussed and the lateral chain decomposition method is applied to the kinetic modelling of long chain paraffin hydroisomerization and hydrocracking. The lateral chain decomposition technique is exactly equivalent to the original calculation method based on the explicitly generated detailed reaction network, as long as Benson’s group contribution method is used to calculate the necessary thermodynamic data in both approaches. Le concept de modélisation par événements constitutifs permet de développer des modèles cinétiques pour la simulation des procédés de raffinage. Pour des réseaux réactionnels de centaines de milliers d'espèces, comme cela est le cas pour le reformage catalytique, le regroupement rigoureux par nombre d'atomes de carbone et degré de ramification a été utilisé efficacement en faisant l'hypothèse de l'équilibre chimique dans chaque groupe. Cette technique de regroupement conduit à un modèle regroupé compact sans perte d

Enhanced Generic Phase-field Model of Irradiation Materials: Fission Gas Bubble Growth Kinetics in Polycrystalline UO2

Energy Technology Data Exchange (ETDEWEB)

Li, Yulan; Hu, Shenyang Y.; Montgomery, Robert O.; Gao, Fei; Sun, Xin

2012-05-30

Experiments show that inter-granular and intra-granular gas bubbles have different growth kinetics which results in heterogeneous gas bubble microstructures in irradiated nuclear fuels. A science-based model predicting the heterogeneous microstructure evolution kinetics is desired, which enables one to study the effect of thermodynamic and kinetic properties of the system on gas bubble microstructure evolution kinetics and morphology, improve the understanding of the formation mechanisms of heterogeneous gas bubble microstructure, and provide the microstructure to macroscale approaches to study their impact on thermo-mechanical properties such as thermo-conductivity, gas release, volume swelling, and cracking. In our previous report 'Mesoscale Benchmark Demonstration, Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing', we developed a phase-field model to simulate the intra-granular gas bubble evolution in a single crystal during post-irradiation thermal annealing. In this work, we enhanced the model by incorporating thermodynamic and kinetic properties at grain boundaries, which can be obtained from atomistic simulations, to simulate fission gas bubble growth kinetics in polycrystalline UO2 fuels. The model takes into account of gas atom and vacancy diffusion, vacancy trapping and emission at defects, gas atom absorption and resolution at gas bubbles, internal pressure in gas bubbles, elastic interaction between defects and gas bubbles, and the difference of thermodynamic and kinetic properties in matrix and grain boundaries. We applied the model to simulate gas atom segregation at grain boundaries and the effect of interfacial energy and gas mobility on gas bubble morphology and growth kinetics in a bi-crystal UO2 during post-irradiation thermal annealing. The preliminary results demonstrate that the model can produce the equilibrium thermodynamic properties and the morphology of gas

Revealing the Link between Structural Relaxation and Dynamic Heterogeneity in Glass-Forming Liquids.

Science.gov (United States)

Wang, Lijin; Xu, Ning; Wang, W H; Guan, Pengfei

2018-03-23

Despite the use of glasses for thousands of years, the nature of the glass transition is still mysterious. On approaching the glass transition, the growth of dynamic heterogeneity has long been thought to play a key role in explaining the abrupt slowdown of structural relaxation. However, it still remains elusive whether there is an underlying link between structural relaxation and dynamic heterogeneity. Here, we unravel the link by introducing a characteristic time scale hiding behind an identical dynamic heterogeneity for various model glass-forming liquids. We find that the time scale corresponds to the kinetic fragility of liquids. Moreover, it leads to scaling collapse of both the structural relaxation time and dynamic heterogeneity for all liquids studied, together with a characteristic temperature associated with the same dynamic heterogeneity. Our findings imply that studying the glass transition from the viewpoint of dynamic heterogeneity is more informative than expected.

Revealing the Link between Structural Relaxation and Dynamic Heterogeneity in Glass-Forming Liquids

Science.gov (United States)

Wang, Lijin; Xu, Ning; Wang, W. H.; Guan, Pengfei

2018-03-01

Despite the use of glasses for thousands of years, the nature of the glass transition is still mysterious. On approaching the glass transition, the growth of dynamic heterogeneity has long been thought to play a key role in explaining the abrupt slowdown of structural relaxation. However, it still remains elusive whether there is an underlying link between structural relaxation and dynamic heterogeneity. Here, we unravel the link by introducing a characteristic time scale hiding behind an identical dynamic heterogeneity for various model glass-forming liquids. We find that the time scale corresponds to the kinetic fragility of liquids. Moreover, it leads to scaling collapse of both the structural relaxation time and dynamic heterogeneity for all liquids studied, together with a characteristic temperature associated with the same dynamic heterogeneity. Our findings imply that studying the glass transition from the viewpoint of dynamic heterogeneity is more informative than expected.

Kinetics of nitrate adsorption and reduction by nano-scale zero valent iron (NZVI): Effect of ionic strength and initial pH

DEFF Research Database (Denmark)

Kim, Do-Gun; Hwang, Yuhoon; Shin, Hang-Sik

2016-01-01

Kinetic models for pollutants reduction by Nano-scale Zero Valent Iron (NZVI) were tested in this study to gain a better understanding and description of the reaction. Adsorption kinetic models and a heterogeneous catalytic reaction kinetic equation were proposed for nitrate removal and for ammon...

Mass Transfer and Kinetics Study of Heterogeneous Semi-Batch Precipitation of Magnesium Carbonate

DEFF Research Database (Denmark)

Han, B.; Qu, H. Y.; Niemi, H.

2014-01-01

Precipitation kinetics and mass transfer of magnesium carbonate (MgCO3) hydrates from a reaction of magnesium hydroxide (Mg(OH)(2)) and CO2 were analyzed. The effect of CO2 flow rate and mixing intensity on precipitation was investigated under ambient temperature and atmospheric pressure. Raman...... on the dissolution of Mg(OH)(2). In the researched system, the main driver of the precipitation kinetics was the mass transfer of CO2. Nesquehonite (MgCO3 center dot 3H(2)O), as needle-like crystals, was precipitated as the main product. Raman spectroscopy can serve as a potential tool to monitor the carbonation...

Spatially explicit population estimates for black bears based on cluster sampling

Science.gov (United States)

Humm, J.; McCown, J. Walter; Scheick, B.K.; Clark, Joseph D.

2017-01-01

We estimated abundance and density of the 5 major black bear (Ursus americanus) subpopulations (i.e., Eglin, Apalachicola, Osceola, Ocala-St. Johns, Big Cypress) in Florida, USA with spatially explicit capture-mark-recapture (SCR) by extracting DNA from hair samples collected at barbed-wire hair sampling sites. We employed a clustered sampling configuration with sampling sites arranged in 3 × 3 clusters spaced 2 km apart within each cluster and cluster centers spaced 16 km apart (center to center). We surveyed all 5 subpopulations encompassing 38,960 km2 during 2014 and 2015. Several landscape variables, most associated with forest cover, helped refine density estimates for the 5 subpopulations we sampled. Detection probabilities were affected by site-specific behavioral responses coupled with individual capture heterogeneity associated with sex. Model-averaged bear population estimates ranged from 120 (95% CI = 59–276) bears or a mean 0.025 bears/km2 (95% CI = 0.011–0.44) for the Eglin subpopulation to 1,198 bears (95% CI = 949–1,537) or 0.127 bears/km2 (95% CI = 0.101–0.163) for the Ocala-St. Johns subpopulation. The total population estimate for our 5 study areas was 3,916 bears (95% CI = 2,914–5,451). The clustered sampling method coupled with information on land cover was efficient and allowed us to estimate abundance across extensive areas that would not have been possible otherwise. Clustered sampling combined with spatially explicit capture-recapture methods has the potential to provide rigorous population estimates for a wide array of species that are extensive and heterogeneous in their distribution.

Chemical kinetics and modeling of planetary atmospheres

Science.gov (United States)

Yung, Yuk L.

1990-01-01

A unified overview is presented for chemical kinetics and chemical modeling in planetary atmospheres. The recent major advances in the understanding of the chemistry of the terrestrial atmosphere make the study of planets more interesting and relevant. A deeper understanding suggests that the important chemical cycles have a universal character that connects the different planets and ultimately link together the origin and evolution of the solar system. The completeness (or incompleteness) of the data base for chemical kinetics in planetary atmospheres will always be judged by comparison with that for the terrestrial atmosphere. In the latter case, the chemistry of H, O, N, and Cl species is well understood. S chemistry is poorly understood. In the atmospheres of Jovian planets and Titan, the C-H chemistry of simple species (containing 2 or less C atoms) is fairly well understood. The chemistry of higher hydrocarbons and the C-N, P-N chemistry is much less understood. In the atmosphere of Venus, the dominant chemistry is that of chlorine and sulfur, and very little is known about C1-S coupled chemistry. A new frontier for chemical kinetics both in the Earth and planetary atmospheres is the study of heterogeneous reactions. The formation of the ozone hole on Earth, the ubiquitous photochemical haze on Venus and in the Jovian planets and Titan all testify to the importance of heterogeneous reactions. It remains a challenge to connect the gas phase chemistry to the production of aerosols.

Harnessing Big Data to Represent 30-meter Spatial Heterogeneity in Earth System Models

Science.gov (United States)

Chaney, N.; Shevliakova, E.; Malyshev, S.; Van Huijgevoort, M.; Milly, C.; Sulman, B. N.

2016-12-01

Terrestrial land surface processes play a critical role in the Earth system; they have a profound impact on the global climate, food and energy production, freshwater resources, and biodiversity. One of the most fascinating yet challenging aspects of characterizing terrestrial ecosystems is their field-scale (˜30 m) spatial heterogeneity. It has been observed repeatedly that the water, energy, and biogeochemical cycles at multiple temporal and spatial scales have deep ties to an ecosystem's spatial structure. Current Earth system models largely disregard this important relationship leading to an inadequate representation of ecosystem dynamics. In this presentation, we will show how existing global environmental datasets can be harnessed to explicitly represent field-scale spatial heterogeneity in Earth system models. For each macroscale grid cell, these environmental data are clustered according to their field-scale soil and topographic attributes to define unique sub-grid tiles. The state-of-the-art Geophysical Fluid Dynamics Laboratory (GFDL) land model is then used to simulate these tiles and their spatial interactions via the exchange of water, energy, and nutrients along explicit topographic gradients. Using historical simulations over the contiguous United States, we will show how a robust representation of field-scale spatial heterogeneity impacts modeled ecosystem dynamics including the water, energy, and biogeochemical cycles as well as vegetation composition and distribution.

Kinetic equations with pairing correlations

International Nuclear Information System (INIS)

Fauser, R.

1995-12-01

The Gorkov equations are derived for a general non-equilibrium system. The Gorkov factorization is generalized by the cumulant expansion of the 2-particle correlation and by a generalized Wick theorem in the case of a perturbation expansion. A stationary solution for the Green functions in the Schwinger-Keldysh formalism is presented taking into account pairing correlations. Especially the effects of collisional broadening on the spectral functions and Green functions is discussed. Kinetic equations are derived in the quasi-particle approximation and in the case of particles with width. Explicit expressions for the self-energies are given. (orig.)

Explicitly represented polygon wall boundary model for the explicit MPS method

Science.gov (United States)

Mitsume, Naoto; Yoshimura, Shinobu; Murotani, Kohei; Yamada, Tomonori

2015-05-01

This study presents an accurate and robust boundary model, the explicitly represented polygon (ERP) wall boundary model, to treat arbitrarily shaped wall boundaries in the explicit moving particle simulation (E-MPS) method, which is a mesh-free particle method for strong form partial differential equations. The ERP model expresses wall boundaries as polygons, which are explicitly represented without using the distance function. These are derived so that for viscous fluids, and with less computational cost, they satisfy the Neumann boundary condition for the pressure and the slip/no-slip condition on the wall surface. The proposed model is verified and validated by comparing computed results with the theoretical solution, results obtained by other models, and experimental results. Two simulations with complex boundary movements are conducted to demonstrate the applicability of the E-MPS method to the ERP model.

A theoretical framework for modeling dilution enhancement of non-reactive solutes in heterogeneous porous media.

Science.gov (United States)

de Barros, F P J; Fiori, A; Boso, F; Bellin, A

2015-01-01

Spatial heterogeneity of the hydraulic properties of geological porous formations leads to erratically shaped solute clouds, thus increasing the edge area of the solute body and augmenting the dilution rate. In this study, we provide a theoretical framework to quantify dilution of a non-reactive solute within a steady state flow as affected by the spatial variability of the hydraulic conductivity. Embracing the Lagrangian concentration framework, we obtain explicit semi-analytical expressions for the dilution index as a function of the structural parameters of the random hydraulic conductivity field, under the assumptions of uniform-in-the-average flow, small injection source and weak-to-mild heterogeneity. Results show how the dilution enhancement of the solute cloud is strongly dependent on both the statistical anisotropy ratio and the heterogeneity level of the porous medium. The explicit semi-analytical solution also captures the temporal evolution of the dilution rate; for the early- and late-time limits, the proposed solution recovers previous results from the literature, while at intermediate times it reflects the increasing interplay between large-scale advection and local-scale dispersion. The performance of the theoretical framework is verified with high resolution numerical results and successfully tested against the Cape Cod field data. Copyright © 2015 Elsevier B.V. All rights reserved.

Technical notes. Rational approximations for cross-section space-shielding in doubly heterogeneous systems

International Nuclear Information System (INIS)

Stamatelatos, M.G.

1976-01-01

A simple yet accurate method of space-shielding cross sections in a doubly heterogeneous high-temperature gas-cooled reactor (HTGR) system using collision probabilities and rational approximations is presented. Unlike other more elaborate methods, this method does not require point-wise cross sections that are not explicitly generated in most popular cross-section codes. Consequently, this method makes double heterogeneity space-shielding possible for cross-section codes that do not proceed via point-wise cross sections and that usually allow only for single (fuel-rod) heterogeneity cross-section space-shielding. Results of calculations based on this method compare well with results of calculations based on more elaborate methods using point-wise cross sections. Moreover, the systematic trend of the difference between the results from this method and those from the more elaborate methods used for comparison supports the already existent opinion that the latter methods tend to overestimate the space-shielding cross-section correction in doubly heterogeneous HTGR systems

Studies of spatial decoupling in heterogeneous LMFBR critical assemblies

International Nuclear Information System (INIS)

Brumbach, S.B.; Goin, R.W.; Carpenter, S.G.

1984-01-01

Recent measurements at the Zero Power Plutonium Reactor have studied the spatial decoupling in large, heterogeneous assemblies. These assemblies exhibited a significantly greater degree of decoupling than previous homogeneous assemblies of similar size. The flux distributions in these heterogeneous assemblies were very sensitive reactivity perturbations, and perturbed flux distributions were achieved relatively slowly. Decoupling was investigated using rod-drop, boron-oscillator and noise-coherence techniques which emphasized different times following the perturbations. Reactivity changes could be measured by analyzing the power history from a single detector using inverse kinetics methods with the assumption of an instantaneous efficiency change for the detector. For assemblies more decoupled than ZPPR-13, the instantaneous efficiency change assumption begins to be invalid

Kinetics of catalytic reactions solutions manual

CERN Document Server

Vannice, M Albert

2005-01-01

Including countless exercises and worked examples, this advanced reference work and textbook will be extremely useful for the work of many industrial scientists. It teaches readers to design kinetic experiments involving heterogeneous catalysts, to characterize these catalysts, to acquire rate data, to find heat and mass transfer limitations in these data, to select reaction models, to derive rate expressions based on these models, and to assess the consistency of these rate equations.

Clustering of low-valence particles: structure and kinetics.

Science.gov (United States)

Markova, Olga; Alberts, Jonathan; Munro, Edwin; Lenne, Pierre-François

2014-08-01

We compute the structure and kinetics of two systems of low-valence particles with three or six freely oriented bonds in two dimensions. The structure of clusters formed by trivalent particles is complex with loops and holes, while hexavalent particles self-organize into regular and compact structures. We identify the elementary structures which compose the clusters of trivalent particles. At initial stages of clustering, the clusters of trivalent particles grow with a power-law time dependence. Yet at longer times fusion and fission of clusters equilibrates and clusters form a heterogeneous phase with polydispersed sizes. These results emphasize the role of valence in the kinetics and stability of finite-size clusters.

Advanced Heterogeneous Fenton Treatment of Coalbed Methane-Produced Water Containing Fracturing Fluid

Directory of Open Access Journals (Sweden)

Meng Zhang

2018-04-01

Full Text Available This study investigated the heterogeneous Fenton treatment to process coalbed methane-produced water containing fracturing fluid and chose the development region of coalbed methane in the Southern Qinshui Basin as a research area. We synthesized the catalyst of Fe-Co/γ-Al2O3 by homogeneous precipitation method and characterized it by BET, XRD, SEM-EDS, FTIR, and XPS. Based on the degradation rate, we studied the influences of the heterogeneous Fenton method on the coalbed methane output water treatment process parameters, including initial pH, H2O2 concentration, and the catalyst concentration. We also investigated the impacts of overall reaction kinetics of heterogeneous catalytic oxidation on coalbed methane-produced water containing fracturing fluid. Results showed that Fe-Co/γ-Al2O3 as a Fenton catalyst has a good catalytic oxidation effect and can effectively process coalbed methane-produced water. This reaction also followed first-order kinetics. The optimal conditions were as follows: the initial pH of 3.5, a H2O2 concentration of 40 mol L−1, a catalyst concentration of 4 g/L, and an apparent reaction rate constant of 0.0172 min−1. Our results provided a basis to establish methods for treating coalbed methane-produced water.

Analysis and simulation of phase transformation kinetics of zeolite A from amorphous phases

CERN Document Server

Marui, Y; Uchida, H; Takiyama, H

2003-01-01

Experiments on transformation rates of zeolite A from amorphous phases at different feed rates to alter the particle size of the amorphous phases were carried out to analyze the kinetics of the transformation, and were analyzed by performing simulation of the transformation. A clear dependence of the induction time for nucleation of zeolite A crystals on the surface area of the amorphous phase was recognized, indicating that the nucleation of zeolite A was heterogeneous and the nucleation rate was almost proportional to the size of the amorphous particles. From the simulation, the mechanism of the transformation was found to be heterogeneous nucleation of zeolite A crystals on the surface of amorphous particles followed by solution mediated phase transformation, and the transformation kinetics were well reproduced at different feed rates. (author)

Integrating mean and variance heterogeneities to identify differentially expressed genes.

Science.gov (United States)

Ouyang, Weiwei; An, Qiang; Zhao, Jinying; Qin, Huaizhen

2016-12-06

-wide significant MVDE genes. Our results indicate tremendous potential gain of integrating informative variance heterogeneity after adjusting for global confounders and background data structure. The proposed informative integration test better summarizes the impacts of condition change on expression distributions of susceptible genes than do the existent competitors. Therefore, particular attention should be paid to explicitly exploit the variance heterogeneity induced by condition change in functional genomics analysis.

Heterogeneous-catalytic redox reactions in nitrate - formate systems

International Nuclear Information System (INIS)

Ananiev, A.V.; Shilov, V.P.; Tananaev, I.G.; Brossard, Ph.; Broudic, J.Ch.

2000-01-01

It was found that an intensive destruction of various organic and mineral substances - usual components of aqueous waste solutions (oxalic acid, complexones, urea, hydrazine, ammonium nitrate, etc.) takes place under the conditions of catalytic denitration. Kinetics and mechanisms of urea and ammonium nitrate decomposition in the system HNO 3 - HCOOH - Pt/SiO 2 are comprehensively investigated. The behaviour of uranium, neptunium and plutonium under the conditions of catalytic denitration is studied. It is shown, that under the certain conditions the formic acid is an effective reducer of the uranium (VI), neptunium (VI, V) and plutonium (VI, IV) ions. Kinetics of heterogeneous-catalytic red-ox reactions of uranium (VI), neptunium (VI, V) and plutonium (VI, IV) with formic acid are investigated. The mechanisms of the appropriate reactions are evaluated. (authors)

Exercise: Kinetic considerations for gas exchange.

Science.gov (United States)

Rossiter, Harry B

2011-01-01

The activities of daily living typically occur at metabolic rates below the maximum rate of aerobic energy production. Such activity is characteristic of the nonsteady state, where energy demands, and consequential physiological responses, are in constant flux. The dynamics of the integrated physiological processes during these activities determine the degree to which exercise can be supported through rates of O₂ utilization and CO₂ clearance appropriate for their demands and, as such, provide a physiological framework for the notion of exercise intensity. The rate at which O₂ exchange responds to meet the changing energy demands of exercise--its kinetics--is dependent on the ability of the pulmonary, circulatory, and muscle bioenergetic systems to respond appropriately. Slow response kinetics in pulmonary O₂ uptake predispose toward a greater necessity for substrate-level energy supply, processes that are limited in their capacity, challenge system homeostasis and hence contribute to exercise intolerance. This review provides a physiological systems perspective of pulmonary gas exchange kinetics: from an integrative view on the control of muscle oxygen consumption kinetics to the dissociation of cellular respiration from its pulmonary expression by the circulatory dynamics and the gas capacitance of the lungs, blood, and tissues. The intensity dependence of gas exchange kinetics is discussed in relation to constant, intermittent, and ramped work rate changes. The influence of heterogeneity in the kinetic matching of O₂ delivery to utilization is presented in reference to exercise tolerance in endurance-trained athletes, the elderly, and patients with chronic heart or lung disease. © 2011 American Physiological Society.

Repair kinetics in tissues

International Nuclear Information System (INIS)

Thames, H.D.

1989-01-01

Monoexponential repair kinetics is based on the assumption of a single, dose-independent rate of repair of sublethal injury in the target cells for tissue injury after exposure to ionizing radiation. Descriptions of the available data based on this assumption have proved fairly successful for both acutely responding (skin, lip mucosa, gut) and late-responding (lung, spinal cord) normal tissues. There are indications of biphasic exponential repair in both categories, however. Unfortunately, the data usually lack sufficient resolution to permit unambiguous determination of the repair rates. There are also indications that repair kinetics may depend on the size of the dose. The data are conflicting on this account, however, with suggestions of both faster and slower repair after larger doses. Indeed, experiments that have been explicitly designed to test this hypothesis show either no effect (gut, spinal cord), faster repair after higher doses (lung, kidney), or slower repair after higher doses (skin). Monoexponential repair appears to be a fairly accurate description that provides an approximation to a more complicated picture, the elucidation of whose details will, however, require very careful and extensive experimental study. (author). 30 refs.; 1 fig

An empirical analysis of the importance of controlling for unobserved heterogeneity when estimating the income-mortality gradient

Directory of Open Access Journals (Sweden)

Adriaan Kalwij

2014-10-01

Full Text Available Background: Statistical theory predicts that failing to control for unobserved heterogeneity in a Gompertz mortality risk model attenuates the estimated income-mortality gradient toward zero. Objective: I assess the empirical importance of controlling for unobserved heterogeneity in a Gompertz mortality risk model when estimating the income-mortality gradient. The analysis is carried out using individual-level administrative data from the Netherlands over the period 1996-2012. Methods: I estimate a Gompertz mortality risk model in which unobserved heterogeneity has a gamma distribution and left-truncation of life durations is explicitly taken into account. Results: I find that, despite a strong and significant presence of unobserved heterogeneity in both the male and female samples, failure to control for unobserved heterogeneity yields only a small and insignificant attenuation bias in the negative income-mortality gradient. Conclusions: The main finding, a small and insignificant attenuation bias in the negative income-mortality gradient when failing to control for unobserved heterogeneity, is positive news for the many empirical studies, whose estimations of the income-mortality gradient ignore unobserved heterogeneity.

Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

KAUST Repository

Hong, Jongsup

2013-10-01

The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

KAUST Repository

Hong, Jongsup; Kirchen, Patrick; Ghoniem, Ahmed F.

2013-01-01

The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

Production of a sterile species: Quantum kinetics

Science.gov (United States)

Boyanovsky, D.; Ho, C. M.

2007-10-01

Production of a sterile species is studied within an effective model of active-sterile neutrino mixing in a medium in thermal equilibrium. The quantum kinetic equations for the distribution functions and coherences are obtained from two independent methods: the effective action and the quantum master equation. The decoherence time scale for active-sterile oscillations is τdec=2/Γaa, but the evolution of the distribution functions is determined by the two different time scales associated with the damping rates of the quasiparticle modes in the medium: Γ1=Γaacos⁡2θm; Γ2=Γaasin⁡2θm where Γaa is the interaction rate of the active species in the absence of mixing and θm the mixing angle in the medium. These two time scales are widely different away from Mikheyev-Smirnov-Wolfenstein resonances and preclude the kinetic description of active-sterile production in terms of a simple rate equation. We give the complete set of quantum kinetic equations for the active and sterile populations and coherences and discuss in detail the various approximations. A generalization of the active-sterile transition probability in a medium is provided via the quantum master equation. We derive explicitly the usual quantum kinetic equations in terms of the “polarization vector” and show their equivalence to those obtained from the quantum master equation and effective action.

Solutions of the Taylor-Green Vortex Problem Using High-Resolution Explicit Finite Difference Methods

Science.gov (United States)

DeBonis, James R.

2013-01-01

A computational fluid dynamics code that solves the compressible Navier-Stokes equations was applied to the Taylor-Green vortex problem to examine the code s ability to accurately simulate the vortex decay and subsequent turbulence. The code, WRLES (Wave Resolving Large-Eddy Simulation), uses explicit central-differencing to compute the spatial derivatives and explicit Low Dispersion Runge-Kutta methods for the temporal discretization. The flow was first studied and characterized using Bogey & Bailley s 13-point dispersion relation preserving (DRP) scheme. The kinetic energy dissipation rate, computed both directly and from the enstrophy field, vorticity contours, and the energy spectra are examined. Results are in excellent agreement with a reference solution obtained using a spectral method and provide insight into computations of turbulent flows. In addition the following studies were performed: a comparison of 4th-, 8th-, 12th- and DRP spatial differencing schemes, the effect of the solution filtering on the results, the effect of large-eddy simulation sub-grid scale models, and the effect of high-order discretization of the viscous terms.

Explicit learning in Act-R

NARCIS (Netherlands)

Taatgen, N.A.; Schmid, U; Krems, J; Wysotzky, F

1999-01-01

A popular distinction in the learning literature is the distinction between implicit and explicit learning. Although many studies elaborate on the nature of implicit learning, little attention is left for explicit learning. The unintentional aspect of implicit learning corresponds well to the

Implicit, explicit and speculative knowledge

NARCIS (Netherlands)

van Ditmarsch, H.; French, T.; Velázquez-Quesada, F.R.; Wáng, Y.N.

We compare different epistemic notions in the presence of awareness of propositional variables: the logic of implicit knowledge (in which explicit knowledge is definable), the logic of explicit knowledge, and the logic of speculative knowledge. Speculative knowledge is a novel epistemic notion that

Explicit Interaction

DEFF Research Database (Denmark)

Löwgren, Jonas; Eriksen, Mette Agger; Linde, Per

2006-01-01

We report an ongoing study of palpable computing to support surgical rehabilitation, in the general field of interaction design for ubiquitous computing. Through explorative design, fieldwork and participatory design techniques, we explore the design principle of explicit interaction as an interp...

Shock propagation in a heterogeneous medium

International Nuclear Information System (INIS)

Elbaz, D.

2011-01-01

In the frame of the inertial confinement fusion in direct drive, the use of foams as ablator allows the reduction of hydrodynamic instabilities created on the target by the direct laser irradiation. The foam is made up of carbon (CH) fibers impregnated of cryogenic deuterium-tritium (DT). In the past, studies have been carried out considering this foam to be a homogeneous medium. Yet, the foam presents heterogeneous features. We study the effects of this heterogeneity on the shock velocity when the laser irradiates the target. Thanks to experimental and numerical studies, we show that the shock propagates faster in the heterogeneous medium than in the homogeneous one with the same averaged density. This velocity gap depends on the presence rate of the CH fibers in the foam, the density ratio, the adiabatic coefficient and the foam geometry. We model the foam by different ways, more and more complex. The shock velocity modification is due to the baroclinicity which, during the interaction between the shock front and the interface, creates a vorticity deposition, responsible for the shock acceleration. Accordingly, an interface, which is plane and perpendicular to the front shock, maximizes the vorticity deposition and increases the velocity gaps between heterogeneous and homogeneous media. We found a correlation between the kinetic energy behind the shock front and the velocities relative difference. We compared our results with two analytical models. However, the system is not closed, so we can't for the moment develop a predictive model. (author) [fr

Computer-aided classification of lesions by means of their kinetic signatures in dynamic contrast-enhanced MR images

Science.gov (United States)

Twellmann, Thorsten; ter Haar Romeny, Bart

2008-03-01

The kinetic characteristics of tissue in dynamic contrast-enhanced magnetic resonance imaging data are an important source of information for the differentiation of benign and malignant lesions. Kinetic curves measured for each lesion voxel allow to infer information about the state of the local tissue. As a whole, they reflect the heterogeneity of the vascular structure within a lesion, an important criterion for the preoperative classification of lesions. Current clinical practice in analysis of tissue kinetics however is mainly based on the evaluation of the "most-suspect curve", which is only related to a small, manually or semi-automatically selected region-of-interest within a lesion and does not reflect any information about tissue heterogeneity. We propose a new method which exploits the full range of kinetic information for the automatic classification of lesions. Instead of breaking down the large amount of kinetic information to a single curve, each lesion is considered as a probability distribution in a space of kinetic features, efficiently represented by its kinetic signature obtained by adaptive vector quantization of the corresponding kinetic curves. Dissimilarity of two signatures can be objectively measured using the Mallows distance, which is a metric defined on probability distributions. The embedding of this metric in a suitable kernel function enables us to employ modern kernel-based machine learning techniques for the classification of signatures. In a study considering 81 breast lesions, the proposed method yielded an A z value of 0.89+/-0.01 for the discrimination of benign and malignant lesions in a nested leave-one-lesion-out evaluation setting.

Kinetics of contrail particles formation and heterogeneous reactions on such particles

Energy Technology Data Exchange (ETDEWEB)

Kogan, M.N.; Butkovsky, A.V.; Erofeev, A.I.; Freedlender, O.G.; Makashev, N.K. [Central Aerohydrodynamic Inst., Zhukovsky (Russian Federation)

1997-12-31

The research of impact of aircraft emissions upon the atmosphere is very complex and difficult problem. More than two decades of intensive investigations of the problem of ozone decay do not permit to make definite conclusions. Many important problems still remain unsolved in the aircraft/atmosphere interaction: engine, nozzle, jet, jet/vortex system interaction, vortex breakdown, contrail formation, meso-scale and global processes, their effects on climate. The particles formation and heterogeneous reactions play an important role in some of these processes. These problems are discussed. (author) 11 refs.

Kinetics of contrail particles formation and heterogeneous reactions on such particles

Energy Technology Data Exchange (ETDEWEB)

Kogan, M N; Butkovsky, A V; Erofeev, A I; Freedlender, O G; Makashev, N K [Central Aerohydrodynamic Inst., Zhukovsky (Russian Federation)

1998-12-31

The research of impact of aircraft emissions upon the atmosphere is very complex and difficult problem. More than two decades of intensive investigations of the problem of ozone decay do not permit to make definite conclusions. Many important problems still remain unsolved in the aircraft/atmosphere interaction: engine, nozzle, jet, jet/vortex system interaction, vortex breakdown, contrail formation, meso-scale and global processes, their effects on climate. The particles formation and heterogeneous reactions play an important role in some of these processes. These problems are discussed. (author) 11 refs.

Design nanocrack patterns in heterogeneous films

International Nuclear Information System (INIS)

Salac, David; Lu Wei

2006-01-01

Nanowires have significant potential in future technologies such as nanomechanical devices and electronics. Recent experiments suggest that nanowires with sub-100 nm diameters may be fabricated by filling cracks with various materials. The geometry of cracks becomes important on such a length scale, and the practical application of the approach requires an understanding of crack evolution in heterogeneous films. This paper proposes a level-set approach to model directed nanocracks on pre-patterned substrates. The approach does not require the explicit tracking of crack fronts and thus allows the simulation of complex crack patterns. Results indicate that pre-patterning a substrate can lead to various well controlled nanocrack patterns, suggesting a possibility to make designed and complex nanowires difficult to obtain with other methods

High Performance Programming Using Explicit Shared Memory Model on Cray T3D1

Science.gov (United States)

Simon, Horst D.; Saini, Subhash; Grassi, Charles

1994-01-01

The Cray T3D system is the first-phase system in Cray Research, Inc.'s (CRI) three-phase massively parallel processing (MPP) program. This system features a heterogeneous architecture that closely couples DEC's Alpha microprocessors and CRI's parallel-vector technology, i.e., the Cray Y-MP and Cray C90. An overview of the Cray T3D hardware and available programming models is presented. Under Cray Research adaptive Fortran (CRAFT) model four programming methods (data parallel, work sharing, message-passing using PVM, and explicit shared memory model) are available to the users. However, at this time data parallel and work sharing programming models are not available to the user community. The differences between standard PVM and CRI's PVM are highlighted with performance measurements such as latencies and communication bandwidths. We have found that the performance of neither standard PVM nor CRI s PVM exploits the hardware capabilities of the T3D. The reasons for the bad performance of PVM as a native message-passing library are presented. This is illustrated by the performance of NAS Parallel Benchmarks (NPB) programmed in explicit shared memory model on Cray T3D. In general, the performance of standard PVM is about 4 to 5 times less than obtained by using explicit shared memory model. This degradation in performance is also seen on CM-5 where the performance of applications using native message-passing library CMMD on CM-5 is also about 4 to 5 times less than using data parallel methods. The issues involved (such as barriers, synchronization, invalidating data cache, aligning data cache etc.) while programming in explicit shared memory model are discussed. Comparative performance of NPB using explicit shared memory programming model on the Cray T3D and other highly parallel systems such as the TMC CM-5, Intel Paragon, Cray C90, IBM-SP1, etc. is presented.

Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

Science.gov (United States)

Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

2018-06-01

A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

Heterogeneous Photocatalysis: Recent Advances and Applications

Directory of Open Access Journals (Sweden)

Alex Omo Ibhadon

2013-03-01

Full Text Available Semiconductor heterogeneous photocatalysis, the subject of this review, is a versatile, low-cost and environmentally benign treatment technology for a host of pollutants. These may be of biological, organic and inorganic in origin within water and air. The efficient and successful application of photocatalysis demands that the pollutant, the catalyst and source of illumination are in close proximity or contact with each other. The ability of advanced oxidation technology to remove low levels of persistent organic pollutants as well as microorganisms in water has been widely demonstrated and, progressively, the technology is now being commercialized in many areas of the world including developing nations. This review considers recent developments in the research and application of heterogeneous semiconductor photocatalysis for the treatment of low-level concentrations of pollutants in water and air using titanium dioxide as a “model” semiconductor. The review considers charge transport characteristics on the semiconductor surface, photocatalyst reactor design and organic degradation mechanistic pathways. The effects of photoreactor operating parameters on the photocatalytic process are discussed in addition to mineralization and disinfection kinetics.

[Application of spatially explicit landscape model in soil loss study in Huzhong area].

Science.gov (United States)

Xu, Chonggang; Hu, Yuanman; Chang, Yu; Li, Xiuzhen; Bu, Renchang; He, Hongshi; Leng, Wenfang

2004-10-01

Universal Soil Loss Equation (USLE) has been widely used to estimate the average annual soil loss. In most of the previous work on soil loss evaluation on forestland, cover management factor was calculated from the static forest landscape. The advent of spatially explicit forest landscape model in the last decade, which explicitly simulates the forest succession dynamics under natural and anthropogenic disturbances (fire, wind, harvest and so on) on heterogeneous landscape, makes it possible to take into consideration the change of forest cover, and to dynamically simulate the soil loss in different year (e.g. 10 years and 20 years after current year). In this study, we linked a spatially explicit landscape model (LANDIS) with USLE to simulate the soil loss dynamics under two scenarios: fire and no harvest, fire and harvest. We also simulated the soil loss with no fire and no harvest as a control. The results showed that soil loss varied periodically with simulation year, and the amplitude of change was the lowest under the control scenario and the highest under the fire and no harvest scenario. The effect of harvest on soil loss could not be easily identified on the map; however, the cumulative effect of harvest on soil loss was larger than that of fire. Decreasing the harvest area and the percent of bare soil increased by harvest could significantly reduce soil loss, but had no significant effects on the dynamic of soil loss. Although harvest increased the annual soil loss, it tended to decrease the variability of soil loss between different simulation years.

Kinetic theory of plasma in the limiter-scrape-off layer

International Nuclear Information System (INIS)

Daybelge, U.; Bein, B.

1977-01-01

An asymptotic solution is given for the ion-drift-kinetic equation with a full Fokker--Planck term for the limiter-scrape-off layer in a tokamak. In this layer, the plasma is assumed to consist of hot, collisionless ions, and cold, collisional electrons. From the solution of the boundary-layer problem, ion and electron particle and energy losses to the limiter are calculated. Limiter load profiles due to ions are explicitly given as functions of the poloidal angle

An accurate technique for the solution of the nonlinear point kinetics equations

International Nuclear Information System (INIS)

Picca, Paolo; Ganapol, Barry D.; Furfaro, Roberto

2011-01-01

A novel methodology for the solution of non-linear point kinetic (PK) equations is proposed. The technique is based on a piecewise constant approximation of PK system of ODEs and explicitly accounts for reactivity feedback effects, through an iterative cycle. High accuracy is reached by introducing a sub-mesh for the numerical evaluation of integrals involved and by correcting the source term to include the non-linear effect on a finer time scale. The use of extrapolation techniques for convergence acceleration is also explored. Results for adiabatic feedback model are reported and compared with other benchmarks in literature. The convergence trend makes the algorithm particularly attractive for applications, including in multi-point kinetics and quasi-static frameworks. (author)

Reaction kinetics of oxygen on single-phase alloys, oxidation of nickel and niobium alloys

International Nuclear Information System (INIS)

Lalauze, Rene

1973-01-01

This research thesis first addresses the reaction kinetics of oxygen on alloys. It presents some generalities on heterogeneous reactions (conventional theory, theory of jumps), discusses the core reaction (with the influence of pressure), discusses the influence of metal self-diffusion on metal oxidation kinetics (equilibrium conditions at the interface, hybrid diffusion regime), reports the application of the hybrid diffusion model to the study of selective oxidation of alloys (Wagner model, hybrid diffusion model) and the study of the oxidation kinetics of an alloy forming a solid solution of two oxides. The second part reports the investigation of the oxidation of single phase nickel and niobium alloys (phase α, β and γ)

An heterogeneous nucleation model for the irradiation coloring of alkali halides

International Nuclear Information System (INIS)

Aguilar, M.; Jaque, F.; Agullo-Lopez, F.

1980-01-01

An heterogeneous nucleation model for the radiation-induced coloring of alkali halides is presented. The model assumes a primary mechanism producing F and H pairs, followed by secondary thermally activated reactions including F-H recombination as well interstitial capture. The existence of a very unstable interstitial aggregate is explicitely considered. The model is able to account for the three-stages structure of the F-coloring curve and the inhibition in the occurrence of the late-stage by lowering dose-rate or by impurity doping

Products and kinetics of the heterogeneous reaction of suspended vinclozolin particles with ozone.

Science.gov (United States)

Gan, Jie; Yang, Bo; Zhang, Yang; Shu, Xi; Liu, Changgeng; Shu, Jinian

2010-11-25

Vinclozolin is a widely used fungicide that can be released into the atmosphere via application and volatilization. This paper reports an experimental investigation on the heterogeneous ozonation of vinclozolin particles. The ozonation of vinclozolin adsorbed on azelaic acid particles under pseudo-first-order conditions is investigated online with a vacuum ultraviolet photoionization aerosol time-of-flight mass spectrometer (VUV-ATOFMS). The ozonation products are analyzed with a combination of VUV-ATOFMS and GC/MS. Two main ozonation products are observed. The formation of the ozonation products results from addition of O(3) on the C-C double bond of the vinyl group. The heterogeneous reactive rate constant of vinclozolin particles under room temperature is (2.4 ± 0.4) × 10(-17) cm(3) molecules(-1) s(-1), with a corresponding lifetime at 100 ppbv O(3) of 4.3 ± 0.7 h, which is almost comparable with the estimated lifetime due to the reaction with atmospheric OH radicals (∼1.7 h). The reactive uptake coefficient for O(3) on vinclozolin particles is (6.1 ± 1.0) × 10(-4).

Reducing the Diagnostic Heterogeneity of Schizoaffective Disorder.

Science.gov (United States)

Seldin, Katherine; Armstrong, Kristan; Schiff, Max L; Heckers, Stephan

2017-01-01

Clinical outcome studies of schizoaffective disorder patients have yielded conflicting results. One reason is the heterogeneity of samples drawn from the schizoaffective disorder population. Here, we studied schizoaffective disorder patients who showed marked functional impairment and continuous signs of illness for at least 6 months (i.e., DSM criteria B and C for schizophrenia). We assessed 176 chronic psychosis patients with a structured interview (SCID-IV-TR) and the Diagnostic Interview for Genetic Studies schizoaffective disorder module. We diagnosed 114 patients with schizophrenia and 62 with schizoaffective disorder. The two groups were similar with regard to age, gender, and race. We tested for group differences in antecedent risk factors, clinical features, and functional outcome. The schizoaffective disorder group differed from the schizophrenia group on two measures only: they showed higher rates of suicidality (more suicide attempts, p  schizoaffective disorder patients meet DSM criteria B and C for schizophrenia, they resemble schizophrenia patients on several measures used to assess validity. The increased rate of anxiety disorders and suicidality warrants clinical attention. Our data suggest that a more explicit definition of schizoaffective disorder reduces heterogeneity and may increase validity.

Modelling long-distance seed dispersal in heterogeneous landscapes.

Energy Technology Data Exchange (ETDEWEB)

Levey, Douglas, J.; Tewlsbury, Joshua, J.; Bolker, Benjamin, M.

2008-01-01

1. Long-distance seed dispersal is difficult to measure, yet key to understanding plant population dynamics and community composition. 2. We used a spatially explicit model to predict the distribution of seeds dispersed long distances by birds into habitat patches of different shapes. All patches were the same type of habitat and size, but varied in shape. They occurred in eight experimental landscapes, each with five patches of four different shapes, 150 m apart in a matrix of mature forest. The model was parameterized with smallscale movement data collected from field observations of birds. In a previous study we validated the model by testing its predictions against observed patterns of seed dispersal in real landscapes with the same types and spatial configuration of patches as in the model. 3. Here we apply the model more broadly, examining how patch shape influences the probability of seed deposition by birds into patches, how dispersal kernels (distributions of dispersal distances) vary with patch shape and starting location, and how movement of seeds between patches is affected by patch shape. 4. The model predicts that patches with corridors or other narrow extensions receive higher numbers of seeds than patches without corridors or extensions. This pattern is explained by edgefollowing behaviour of birds. Dispersal distances are generally shorter in heterogeneous landscapes (containing patchy habitat) than in homogeneous landscapes, suggesting that patches divert the movement of seed dispersers, ‘holding’ them long enough to increase the probability of seed defecation in the patches. Dispersal kernels for seeds in homogeneous landscapes were smooth, whereas those in heterogenous landscapes were irregular. In both cases, long-distance (> 150 m) dispersal was surprisingly common, usually comprising approximately 50% of all dispersal events. 5. Synthesis . Landscape heterogeneity has a large influence on patterns of long-distance seed dispersal. Our

Clinical implications of heterogeneity of tumor response to radiation therapy

International Nuclear Information System (INIS)

Suit, H.; Skates, S.; Taghian, A.; Okunieff, P.; Efird, J.T.

1992-01-01

Heterogeneity of response of tumor tissue to radiation clearly exists. Major parameters include histopathologic type, size (number of tumor rescue units (TRUs)), hemoglobin concentration, cell proliferation kinetics and immune rejection reaction by host. Further, normal and presumably tumor tissue response is altered in certain genetic diseases, e.g. ataxia telangiectasia. Any assessment of response of tumor tissue to a new treatment method or the testing of a new clinical response predictor is optimally based upon a narrow strata, viz., uniform with respect to known parameters of response, e.g. size, histological type. Even among tumors of such a clinical defined narrow strata, there will be residual heterogeneity with respect to inherent cellular radiation sensitivity, distributions of pO 2 , (SH), cell proliferation, etc. (author). 39 refs., 7 figs., 3 tabs

Large eddy simulations of round free jets using explicit filtering with/without dynamic Smagorinsky model

International Nuclear Information System (INIS)

Bogey, Christophe; Bailly, Christophe

2006-01-01

Large eddy simulations (LES) of round free jets at Mach number M = 0.9 with Reynolds numbers over the range 2.5 x 10 3 ≤ Re D ≤ 4 x 10 5 are performed using explicit selective/high-order filtering with or without dynamic Smagorinsky model (DSM). Features of the flows and of the turbulent kinetic energy budgets in the turbulent jets are reported. The contributions of molecular viscosity, filtering and DSM to energy dissipation are also presented. Using filtering alone, the results are independent of the filtering strength, and the effects of the Reynolds number on jet development are successfully calculated. Using DSM, the effective jet Reynolds number is found to be artificially decreased by the eddy viscosity. The results are also not appreciably modified when subgrid-scale kinetic energy is used. Moreover, unlike filtering which does not significantly affect the larger computed scales, the eddy viscosity is shown to dissipate energy through all the turbulent scales, in the same way as molecular viscosity at lower Reynolds numbers

Moderators of Implicit-Explicit Exercise Cognition Concordance.

Science.gov (United States)

Berry, Tanya R; Rodgers, Wendy M; Markland, David; Hall, Craig R

2016-12-01

Investigating implicit-explicit concordance can aid in understanding underlying mechanisms and possible intervention effects. This research examined the concordance between implicit associations of exercise with health or appearance and related explicit motives. Variables considered as possible moderators were behavioral regulations, explicit attitudes, and social desirability. Participants (N = 454) completed measures of implicit associations of exercise with health and appearance and questionnaire measures of health and appearance motives, attitudes, social desirability, and behavioral regulations. Attitudes significantly moderated the relationship between implicit associations of exercise with health and health motives. Identified regulations significantly moderated implicit-explicit concordance with respect to associations with appearance. These results suggest that implicit and explicit exercise-related cognitions are not necessarily independent and their relationship to each other may be moderated by attitudes or some forms of behavioral regulation. Future research that takes a dual-processing approach to exercise behavior should consider potential theoretical moderators of concordance.

Bayesian inversion analysis of nonlinear dynamics in surface heterogeneous reactions.

Science.gov (United States)

Omori, Toshiaki; Kuwatani, Tatsu; Okamoto, Atsushi; Hukushima, Koji

2016-09-01

It is essential to extract nonlinear dynamics from time-series data as an inverse problem in natural sciences. We propose a Bayesian statistical framework for extracting nonlinear dynamics of surface heterogeneous reactions from sparse and noisy observable data. Surface heterogeneous reactions are chemical reactions with conjugation of multiple phases, and they have the intrinsic nonlinearity of their dynamics caused by the effect of surface-area between different phases. We adapt a belief propagation method and an expectation-maximization (EM) algorithm to partial observation problem, in order to simultaneously estimate the time course of hidden variables and the kinetic parameters underlying dynamics. The proposed belief propagation method is performed by using sequential Monte Carlo algorithm in order to estimate nonlinear dynamical system. Using our proposed method, we show that the rate constants of dissolution and precipitation reactions, which are typical examples of surface heterogeneous reactions, as well as the temporal changes of solid reactants and products, were successfully estimated only from the observable temporal changes in the concentration of the dissolved intermediate product.

Catalytic performance of heterogeneous Rh/C3N4 for the carbonylation of methanol

Science.gov (United States)

Budiman, Anatta Wahyu; Choi, Myoung Jae; Nur, Adrian

2018-02-01

The excess of water in homogeneous the carbonylation of methanol system could increase the amount of by-products formed through water-gas shift reaction and could accelerate the rusting of equipment. Many scientists tried to decrease the content of water in the carbonylation of methanol system by using lithium and iodide promoter that results a moderate catalytic activity in the water content at 2wt%. The heterogenized catalyst offers several distinct advantages such as it was enables increased catalyst concentration in the reaction mixture, which is directly proportional to acetic acid production rate, without the addition of an alkali iodide salt promoter. The heterogeneous catalyst also results in reduced by-product formation. This study is aimed to produce a novel catalyst (Rh/C3N4) with a high selectivity of acetic acid in a relatively lower water and halide content. This novel catalyst performs high conversion and selectivity of acetic acid as the result of the strong ionic bonding of melamine and rhodium complex species that was caused by the presence of methyl iodide species. The CO2 in feed gas significantly decreases the catalytic activity of Rh-melamine because of its inert characteristics. The kinetic test was performed as that the first order kinetic equation. The kinetic tests revealed the reaction route of the the carbonylation of methanol in this system was performed trough the methyl acetate.

Modified natural zeolite as heterogeneous Fenton catalyst in treatment of recalcitrants in industrial effluent

Directory of Open Access Journals (Sweden)

Milton M. Arimi

2017-04-01

Full Text Available Industrial effluents with high recalcitrants should undergo post-treatment after biological treatment. The aim of this study was to use cheap and abundantly available natural materials to develop heterogeneous Fenton catalysts for the removal of colored recalcitrants in molasses distillery wastewater (MDW. The pellets of zeolite, which is naturally available in many countries, were modified by pre-treatment with sulphuric acid, nitric acid and hydrochloric acid, before embedding on them the ferrous ions. The effects of pH and temperature on heterogeneous Fenton were studied using the modified catalysts. The sulphuric acid-ferrous modified catalysts showed the highest affectivity which achieved 90% color and 60% TOC (total organic carbon removal at 150 g/L pellet catalyst dosage, 2 g/L H2O2 and 25 °C. The heterogeneous Fenton with the same catalyst caused improvement in the biodegradability of anaerobic effluent from 0.07 to 0.55. The catalyst was also applied to pre-treat the raw MDW and increased it's biodegradability by 4%. The color of the resultant anaerobic effluent was also reduced. The kinetics of total TOC removal was found to depend on operation temperature. It was best described by simultaneous first and second order kinetics model for the initial reaction and second order model for the rest of the reaction.

Explicit Versus Implicit Income Insurance

OpenAIRE

Thomas J. Kniesner; James P. Z‎iliak

2001-01-01

October 2001 (Revised from July 2001). Abstract: By supplementing income explicitly through payments or implicitly through taxes collected, income-based taxes and transfers make disposable income less variable. Because disposable income determines consumption, policies that smooth disposable income also create welfare improving consumption insurance. With data from the Panel Study of Income Dynamics we find that annual consumption variation is reduced by almost 20 percent due to explicit and ...

Kinetic comparison of two basic heterogenous catalysts obtained from sustainable resources for transesterification of waste cooking oil

Directory of Open Access Journals (Sweden)

G.R. Moradi

2015-06-01

Full Text Available Alkaline earth metal oxides are appropriate catalysts for biodiesel production and among them, CaO and MgO are known for possessing the best efficiency. In this study, catalysts synthesized from economical and sustainable resources were used for biodiesel production. More specifically, waste mussel shells and demineralized (DM water treatment precipitates as calcium and magnesium carbonate sources, were converted into calcium and magnesium oxides at temperatures above 900 oC. Methanol and waste cooking oil were reacted in a 250 mL two-necked flask at 24:1 and 22.5:1 ratios in presence of 12 and 9.08 wt% of mussel shell-based and DM water treatment precipitates-based catalysts, respectively. The effects of temperature (328, 333, 338, 343 and 348 K and time (1, 3, 5, 7 and 8 h at a stirrer speed of 350 rpm on the conversion of the oil into biodiesel were investigated. The results obtained indicated a pseudo-first order kinetics for the transesterification reaction using both catalysts. The activation energies in the presence of the DM water treatment precipitates and mussel shell catalysts were measured at 77.09 and 79.83 kJ.mol-1, respectively. Accordingly, the DM water treatment precipitates catalyst resulted in a faster reaction due to its lower activation energy value. Moreover, the catalysts were reused five times and the results obtained showed that the methanol-driven extraction of CaO contained in the DM water treatment precipitates catalyst was lower than the waste mussel shell catalyst proving the higher stability of the new heterogeneous catalyst i.e. the calcinated DM water treatment precipitates.

Quantum-statistical kinetic equations

International Nuclear Information System (INIS)

Loss, D.; Schoeller, H.

1989-01-01

Considering a homogeneous normal quantum fluid consisting of identical interacting fermions or bosons, the authors derive an exact quantum-statistical generalized kinetic equation with a collision operator given as explicit cluster series where exchange effects are included through renormalized Liouville operators. This new result is obtained by applying a recently developed superoperator formalism (Liouville operators, cluster expansions, symmetrized projectors, P q -rule, etc.) to nonequilibrium systems described by a density operator ρ(t) which obeys the von Neumann equation. By means of this formalism a factorization theorem is proven (being essential for obtaining closed equations), and partial resummations (leading to renormalized quantities) are performed. As an illustrative application, the quantum-statistical versions (including exchange effects due to Fermi-Dirac or Bose-Einstein statistics) of the homogeneous Boltzmann (binary collisions) and Choh-Uhlenbeck (triple collisions) equations are derived

Effect of capillary forces on immiscible two-phase flow in heterogeneous porous media

Energy Technology Data Exchange (ETDEWEB)

van Duijn, C.J.; Molenaar, J.; de Neef, M.J.

1994-12-31

We consider the one-dimensional two-phase flow including capillary effects through a heterogeneous porous medium. The heterogeneity is due to the spatial variation of the absolute permeability and the porosity. Both these quantities are assumed to be piecewise constant. At interfaces where the rock properties are discontinuous, we derive, by a regularization technique, conditions to match the values of the saturation on both sides. There are two conditions: a flux condition and an extended pressure condition. Applying these conditions we show that trapping of the wetting phase may occur near hetergeneities. To illustrate the behavior of the saturation we consider a time-dependent diffusion problem without convection, a stationary convection-diffusion problem, and the full time-dependent convection-diffusion problem (numerically). In particular the last two problems explicitly show the trapping behavior.

Heterogeneous reactions of carbonyl sulfide on mineral oxides: mechanism and kinetics study

Directory of Open Access Journals (Sweden)

Y. Liu

2010-11-01

Full Text Available The heterogeneous reactions of carbonyl sulfide (OCS on the typical mineral oxides in the mineral dust particles were investigated using a Knudsen cell flow reactor and a diffuse reflectance UV-vis spectroscopy. The reaction pathway for OCS on mineral dust was identified based on the gaseous products and surface species. The hydrolysis of OCS and succeeding oxidation of intermediate products readily took place on α-Al₂O₃, MgO, and CaO. Reversible and irreversible adsorption of OCS were observed on α-Fe₂O₃ and ZnO, respectively, whereas no apparent uptake of OCS by SiO₂ and TiO₂ was observed. The reactivity of OCS on these oxides depends on both the basicity of oxides and the decomposition reactivity of oxides for H₂S. Based on the individual uptake coefficients and chemical composition of authentic mineral dust, the uptake coefficient (γ_BET of mineral dust was estimated to be in the range of 3.84×10⁻⁷–2.86×10⁻⁸. The global flux of OCS due to heterogeneous reactions and adsorption on mineral dust was estimated at 0.13–0.29 Tg yr⁻¹, which is comparable to the annual flux of OCS for its reaction with ·OH.

Developmental Differences in Implicit and Explicit Memory Performance.

Science.gov (United States)

Perez, Lori A.; Peynircioglu, Zehra F.; Blaxton, Teresa A.

1998-01-01

Compared perceptual and conceptual implicit and explicit memory performance of preschool, elementary, and college students. Found that conceptual explicit memory improved with age. Perceptual explicit memory and implicit memory showed no developmental change. Perceptual processing during study led to better performance than conceptual processing…

Environmental context effects in conceptual explicit and implicit memory.

Science.gov (United States)

Parker, Andrew; Dagnall, Neil; Coyle, Anne-Marie

2007-05-01

Previous research has found environmental context effects for both conceptual explicit and conceptual implicit memory (Parker, Gellatly, & Waterman, 1999). The research presented here challenges these findings on methodological grounds. Experiment 1 assessed the effects of context change on category-exemplar generation (conceptual implicit memory test) and category-cued recall (conceptual explicit memory test). Experiment 2 assessed the effects of context change on word association (conceptual implicit memory test) and word associate cued recall (conceptual explicit memory test). In both experiments, study-test changes in environmental context were found to influence performance only on tests of explicit memory. It is concluded that when retrieval cues across explicit and implicit tests are matched, and the probability of explicit contamination is reduced, then only conceptual explicit test performance is reduced by study-test changes in environmental context.

Hydrogen desorption kinetics from zirconium hydride and zirconium metal in vacuum

International Nuclear Information System (INIS)

Hu, Xunxiang; Terrani, Kurt A.; Wirth, Brian D.

2014-01-01

The kinetics of hydrogen desorption from zirconium hydride is important in many nuclear design and safety applications. In this paper, a coordinated experimental and modeling study has been used to explicitly demonstrate the applicability of existing kinetic theories for hydrogen desorption from zirconium hydride and α-zirconium. A static synthesis method was used to produce δ-zirconium hydride, and the crystallographic phases of the zirconium hydride were confirmed by X-ray diffraction (XRD). Three obvious stages, involving δ-zirconium hydride, a two-phase region, and α-zirconium, were observed in the hydrogen desorption spectra of two zirconium hydride specimens with H/Zr ratios of 1.62 and 1.64, respectively, which were obtained using thermal desorption spectroscopy (TDS). A continuous, one-dimensional, two-phase moving boundary model, coupled with the zero- and second-order kinetics of hydrogen desorption from δ-zirconium hydride and α-zirconium, respectively, has been developed to reproduce the TDS experimental results. A comparison of the modeling predictions with the experimental results indicates that a zero-order kinetic model is valid for description of hydrogen flux away from the δ-hydride phase, and that a second-order kinetic model works well for hydrogen desorption from α-Zr if the activation energy of desorption is optimized to be 70% of the value reported in the literature

Probing anodic oxidation kinetics and nanoscale heterogeneity within TiO2 films by Conductive Atomic Force Microscopy and combined techniques

International Nuclear Information System (INIS)

Diamanti, M.V.; Souier, T.; Stefancich, M.; Chiesa, M.; Pedeferri, M.P.

2014-01-01

Graphical abstract: - Highlights: • Nanoscale anodic titanium oxides were investigated with multidisciplinary approach. • Oxide thickness was estimated via spectrophotometry and coulometry. • C-AFM identified nanometric conductivity heterogeneities, ascribed to oxide structure. • High conductivity areas exhibited local memristive behavior. - Abstract: Anodic oxidation of titanium in acid electrolytes allows to obtain a thin, compact oxide layer with thickness, structure, color, and electrical properties that vary with process parameters imposed, among which cell voltage has a key effect. Although oxidation kinetics have been investigated in several research works, a broader vision of oxide properties–including thickness and structure–still has to be achieved, especially in the case of very thin oxide films, few tens of nanometers thick. This is vital for engineered applications of nanostructured TiO 2 films, as in the field of memristive devices, where a precise control of oxide thickness, composition and structure is required to tune its electrical response. In this work, oxide films were produced on titanium with thickness ranging from few nanometers to 200 nm. Oxide thickness was estimated by coulometry and spectrophotometry. These techniques were then combined with C-AFM, which provided a deeper understanding of oxide thickness and uniformity of the metal surface and probed the presence of crystalline nano-domains within the amorphous oxide phase affecting the overall film electrical and optical properties

HETEROGENEOUS REBURNING BY MIXED FUELS

Energy Technology Data Exchange (ETDEWEB)

Wei-Yin Chen; Benson B. Gathitu

2005-01-14

Recent studies of heterogeneous reburning, i.e., reburning involving a coal-derived char, have elucidated its variables, kinetics and mechanisms that are valuable to the development of a highly efficient reburning process. Young lignite chars contain catalysts that not only reduce NO, but they also reduce HCN that is an important intermediate that recycles to NO in the burnout zone. Gaseous CO scavenges the surface oxides that are formed during NO reduction, regenerating the active sites on the char surface. Based on this mechanistic information, cost-effective mixed fuels containing these multiple features has been designed and tested in a simulated reburning apparatus. Remarkably high reduction of NO and HCN has been observed and it is anticipated that mixed fuel will remove 85% of NO in a three-stage reburning process.

An investigation of the heterogeneous nucleation of calcite

International Nuclear Information System (INIS)

House, W.A.; Tutton, J.A.

1982-01-01

The heterogeneous precipitation kinetics of calcite from dilute calcium bicarbonate solutions onto pyrex glass seeds is investigated by using a modified form of the Davies and Jones equation. The rate constant is evaluated from experiments using calcite seeds and it is demonstrated that the growth rate does not increase in proportion to the increase in surface area accompanying precipitation. The number of heteronucleated particles is estimated by assuming a constant density of growth sites on the different calcite surfaces. A comparison is made between the specific surface areas of calcite obtained by the calcium-45 isotopic exchange method and other values. (orig.)

Method and program for complex calculation of heterogeneous reactor

International Nuclear Information System (INIS)

Kalashnikov, A.G.; Glebov, A.P.; Elovskaya, L.F.; Kuznetsova, L.I.

1988-01-01

An algorithm and the GITA program for complex one-dimensional calculation of a heterogeneous reactor which permits to conduct calculations for the reactor and its cell simultaneously using the same algorithm are described. Multigroup macrocross sections for reactor zones in the thermal energy range are determined according to the technique for calculating a cell with complicate structure and then the continuous multi group calculation of the reactor in the thermal energy range and in the range of neutron thermalization is made. The kinetic equation is solved using the Pi- and DSn- approximations [fr

Increasing the spatial scale of process-based agricultural systems models by representing heterogeneity: The case of urine patches in grazed pastures

DEFF Research Database (Denmark)

Snow, Val O.; Cichota, R; McAuliffe, John

2017-01-01

-paddock simulation. It explicitly preserves the soil carbon and nitrogen heterogeneity but does not require independent simulation of soil water and plant processes and is temporal in that the patches of heterogeneity can appear and disappear during the simulation. The approach was tested through comparison...... to simulations that more-closely represented field conditions and which contained independent urine patches. The testing was successful, reducing substantial error in the simulation of pasture grazed and leaching for modest increases in simulation execution time but we recommend additional testing under very low...

J-integral analysis of heterogeneous mismatched girth welds in clamped single-edge notched tension specimens

International Nuclear Information System (INIS)

Hertelé, Stijn; De Waele, Wim; Verstraete, Matthias; Denys, Rudi; O'Dowd, Noel

2014-01-01

Flaw assessment procedures require a quantification of crack driving force, and such procedures are generally based on the assumption of weld homogeneity. However, welds generally have a heterogeneous microstructure, which will influence the crack driving force. This paper describes a stress-based methodology to assess complex heterogeneous welds using a J-based approach. Clamped single-edge notched tension specimens, representative of girth weld flaws, are analyzed and the influence of weld heterogeneity on crack driving force has been determined. The use of a modified limit load for heterogeneous welds is proposed, suitable for implementation in a ‘homogenized’ J-integral estimation scheme. It follows from an explicit modification of an existing solution for centre cracked tension specimens. The proposed solution provides a good estimate of crack driving force and any errors in the approximation may be accounted for by means of a small safety factor on load bearing capacity. - Highlights: • We present a crack driving force estimation procedure for heterogeneous welds. • The procedure is based on a ‘homogenized’ version of the EPRI equation. • Complex welds are translated into equivalent idealized mismatched welds. • The procedure is validated for clamped SE(T) specimens. • A mismatch limit load for clamped SE(T) specimens is developed

Implicit and explicit ethnocentrism: revisiting the ideologies of prejudice.

Science.gov (United States)

Cunningham, William A; Nezlek, John B; Banaji, Mahzarin R

2004-10-01

Two studies investigated relationships among individual differences in implicit and explicit prejudice, right-wing ideology, and rigidity in thinking. The first study examined these relationships focusing on White Americans' prejudice toward Black Americans. The second study provided the first test of implicit ethnocentrism and its relationship to explicit ethnocentrism by studying the relationship between attitudes toward five social groups. Factor analyses found support for both implicit and explicit ethnocentrism. In both studies, mean explicit attitudes toward out groups were positive, whereas implicit attitudes were negative, suggesting that implicit and explicit prejudices are distinct; however, in both studies, implicit and explicit attitudes were related (r = .37, .47). Latent variable modeling indicates a simple structure within this ethnocentric system, with variables organized in order of specificity. These results lead to the conclusion that (a) implicit ethnocentrism exists and (b) it is related to and distinct from explicit ethnocentrism.

Migration of particles on heterogeneous bivariate lattices: the universal analytical expressions for the diffusion coefficients

Czech Academy of Sciences Publication Activity Database

Tarasenko, Alexander; Boháč, Petr; Jastrabík, Lubomír

2015-01-01

Roč. 74, Nov (2015), s. 556-560 ISSN 1386-9477 R&D Projects: GA MŠk LO1409; GA TA ČR TA03010743 Institutional support: RVO:68378271 Keywords : surface diffusion * heterogeneous lattices * lattice-gas models * kinetic Monte Carlo simulation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.904, year: 2015

Heterogeneous Parking Market Subject to Parking Rationing

Directory of Open Access Journals (Sweden)

Saeed Asadi Bagloee

2015-01-01

Full Text Available Different types of drivers and parking spaces delineate a heterogeneous parking market for which the literature has yet to provide a model applicable to the real world. The main obstacle is computational complexities of considering various parking restrictions along with traffic congestion on the road network. In this study, the heterogeneity aspects are considered within a Logit parking choice model. A mathematical programming problem was introduced to explicitly consider parking capacities and parking rationing constraints. The parking rationing is defined as any arrangement to reserve parking space for some specific demand such as parking permit, private parking, VIP parking, and different parking durations. Introduction of parking rationing in the presence of other constraints is a unique factor in this study which makes the model more realistic. The algorithm was tested on a central business district case study. The results prove that the algorithm is able to converge rapidly. Among the algorithm’s output are shadow prices of the parking capacity and parking rationing constraints. The shadow prices contain important information which is key to addressing a variety of parking issues, such as the location of parking shortages, identification of fair parking charges, viability of parking permits, and the size of reserved parking.

Origin of two time-scale regimes in potentiometric titration of metal oxides. A replica kinetic Monte Carlo study

International Nuclear Information System (INIS)

Zarzycki, Piotr P.; Rosso, Kevin M.

2009-01-01

Replica Kinetic Monte Carlo simulations were used to study the characteristic time scales of potentiometric titration of the metal oxides and (oxy)hydroxides. The effect of surface heterogeneity and surface transformation on the titration kinetics were also examined. Two characteristic relaxation times are often observed experimentally, with the trailing slower part attributed to surface non-uniformity, porosity, polymerization, amorphization, and other dynamic surface processes induced by unbalanced surface charge. However, our simulations show that these two characteristic relaxation times are intrinsic to the proton binding reaction for energetically homogeneous surfaces, and therefore surface heterogeneity or transformation do not necessarily need to be invoked. However, all such second-order surface processes are found to intensify the separation and distinction of the two kinetic regimes. The effect of surface energetic-topographic non-uniformity, as well dynamic surface transformation, interface roughening/smoothing were described in a statistical fashion. Furthermore, our simulations show that a shift in the point-of-zero charge is expected from increased titration speed and the pH-dependence of the titration measurement error is in excellent agreement with experimental studies.

Origin of two time-scale regimes in potentiometric titration of metal oxides. A replica kinetic Monte Carlo study.

Science.gov (United States)

Zarzycki, Piotr; Rosso, Kevin M

2009-06-16

Replica kinetic Monte Carlo simulations were used to study the characteristic time scales of potentiometric titration of the metal oxides and (oxy)hydroxides. The effect of surface heterogeneity and surface transformation on the titration kinetics were also examined. Two characteristic relaxation times are often observed experimentally, with the trailing slower part attributed to surface nonuniformity, porosity, polymerization, amorphization, and other dynamic surface processes induced by unbalanced surface charge. However, our simulations show that these two characteristic relaxation times are intrinsic to the proton-binding reaction for energetically homogeneous surfaces, and therefore surface heterogeneity or transformation does not necessarily need to be invoked. However, all such second-order surface processes are found to intensify the separation and distinction of the two kinetic regimes. The effect of surface energetic-topographic nonuniformity, as well dynamic surface transformation, interface roughening/smoothing were described in a statistical fashion. Furthermore, our simulations show that a shift in the point-of-zero charge is expected from increased titration speed, and the pH-dependence of the titration measurement error is in excellent agreement with experimental studies.

Estimation of the fraction of biologically active methyl tert-butyl ether degraders in a heterogeneous biomass sample

DEFF Research Database (Denmark)

Waul, Christopher Kevin; Arvin, Erik; Schmidt, Jens Ejbye

2008-01-01

The fraction of biologically active methyl tert-butyl ether degraders in reactors is just as important for prediction of removal rates as knowledge of the kinetic parameters. The fraction of biologically active methyl tert-butyl ether degraders in a heterogeneous biomass sample, taken from a packed...... bed reactor, was determined using a batch kinetic based approach. The procedure involved modeling of methyl tert-butyl ether removal rates from batch experiments followed by parameter estimations. It was estimated to be 5-14% (w/w) of the measured volatile suspended solids concentration in the reactor....

SEARCH: Spatially Explicit Animal Response to Composition of Habitat.

Science.gov (United States)

Pauli, Benjamin P; McCann, Nicholas P; Zollner, Patrick A; Cummings, Robert; Gilbert, Jonathan H; Gustafson, Eric J

2013-01-01

Complex decisions dramatically affect animal dispersal and space use. Dispersing individuals respond to a combination of fine-scale environmental stimuli and internal attributes. Individual-based modeling offers a valuable approach for the investigation of such interactions because it combines the heterogeneity of animal behaviors with spatial detail. Most individual-based models (IBMs), however, vastly oversimplify animal behavior and such behavioral minimalism diminishes the value of these models. We present program SEARCH (Spatially Explicit Animal Response to Composition of Habitat), a spatially explicit, individual-based, population model of animal dispersal through realistic landscapes. SEARCH uses values in Geographic Information System (GIS) maps to apply rules that animals follow during dispersal, thus allowing virtual animals to respond to fine-scale features of the landscape and maintain a detailed memory of areas sensed during movement. SEARCH also incorporates temporally dynamic landscapes so that the environment to which virtual animals respond can change during the course of a simulation. Animals in SEARCH are behaviorally dynamic and able to respond to stimuli based upon their individual experiences. Therefore, SEARCH is able to model behavioral traits of dispersing animals at fine scales and with many dynamic aspects. Such added complexity allows investigation of unique ecological questions. To illustrate SEARCH's capabilities, we simulated case studies using three mammals. We examined the impact of seasonally variable food resources on the weight distribution of dispersing raccoons (Procyon lotor), the effect of temporally dynamic mortality pressure in combination with various levels of behavioral responsiveness in eastern chipmunks (Tamias striatus), and the impact of behavioral plasticity and home range selection on disperser mortality and weight change in virtual American martens (Martes americana). These simulations highlight the relevance of

Factors influencing heterogeneity of radiation-induced DNA-damage measured by the alkaline comet assay

International Nuclear Information System (INIS)

Seidel, Clemens; Lautenschläger, Christine; Dunst, Jürgen; Müller, Arndt-Christian

2012-01-01

To investigate whether different conditions of DNA structure and radiation treatment could modify heterogeneity of response. Additionally to study variance as a potential parameter of heterogeneity for radiosensitivity testing. Two-hundred leukocytes per sample of healthy donors were split into four groups. I: Intact chromatin structure; II: Nucleoids of histone-depleted DNA; III: Nucleoids of histone-depleted DNA with 90 mM DMSO as antioxidant. Response to single (I-III) and twice (IV) irradiation with 4 Gy and repair kinetics were evaluated using %Tail-DNA. Heterogeneity of DNA damage was determined by calculation of variance of DNA-damage (V) and mean variance (Mvar), mutual comparisons were done by one-way analysis of variance (ANOVA). Heterogeneity of initial DNA-damage (I, 0 min repair) increased without histones (II). Absence of histones was balanced by addition of antioxidants (III). Repair reduced heterogeneity of all samples (with and without irradiation). However double irradiation plus repair led to a higher level of heterogeneity distinguishable from single irradiation and repair in intact cells. Increase of mean DNA damage was associated with a similarly elevated variance of DNA damage (r = +0.88). Heterogeneity of DNA-damage can be modified by histone level, antioxidant concentration, repair and radiation dose and was positively correlated with DNA damage. Experimental conditions might be optimized by reducing scatter of comet assay data by repair and antioxidants, potentially allowing better discrimination of small differences. Amount of heterogeneity measured by variance might be an additional useful parameter to characterize radiosensitivity

A unified analysis of kinetic models for the problem of thermal creep based on the boundary conditions of Cercignani-Lampis for heterogeneous plates

International Nuclear Information System (INIS)

Rosa, Cinara Ewerling da; Knackfuss, Rosenei Felippe

2013-01-01

In this work is presented a series of numerical results and graphical comparisons of the physical quantities of interest such as: the velocity profile and the heat on profile. This formulation is developed for the problem of Thermal Creep, where the gas is moving between two parallel plates with different chemical constitutions (heterogeneous plates) due to a temperature gradient. The flow of a rarefied gas, is investigated with special attention to the gas-surface interaction, modeled by the Cercignani-Lampis kernel, that unlike Maxwell's scattering kernel, is defined in terms of two accommodation coefficients (normal and tangential) to represent the physical properties of the gas. The kinetic theory for rarefied gas dynamics, derived from the linearized Boltzmann equation, is developed in an unified approach, to the BGK model, S model, GJ model and MRS model. In the search for solutions to solve the problem of Thermal Creep with kernel of the Cercignani-Lampis, we used a analytical version of the discrete ordinates method (ADO) based on an arbitrary quadrature scheme, under which is determined a problem of eigenvalues and their respective separation constants. Numerical results are developed by the computer program FORTRAN. (author)

Kinetic Study of Application of ZnO as a Photocatalyst in Heterogeneous Medium

Directory of Open Access Journals (Sweden)

J. J. Vora

2009-01-01

Full Text Available The photocatalytic degradation of 2,4-dinitrophenol over ZnO was carried out in the presence of light. Control experiments were carried out. The photocatalytic degradation of 2,4-dinitrophenol was observed spectro-photmerically. The various parameters like concentrations of substrate, pH, amounts and band gaps of semiconductor, impact of light intensity, sensitizers and radical quenchers affected the kinetics of the degradation process. A probable mechanism for this process has been proposed.

Deposition characteristics of copper particles on roughened substrates through kinetic spraying

International Nuclear Information System (INIS)

Kumar, S.; Bae, Gyuyeol; Lee, Changhee

2009-01-01

In this paper, a systematic study of copper particle deposition behavior on polished and roughened surfaces (aluminum and copper) in kinetic spray process has been performed. The particle deformation behavior was simulated through finite element analysis (FEA) software ABAQUS explicit 6.7-2. The particle-substrate contact time, contact temperature and contact area upon impact have been estimated for smooth and three different roughened substrate cases. Copper powders were deposited on smooth and grit-blasted copper and aluminium substrates and characterized through scanning electron microscopy and Romulus bond strength analyzer. The results indicate that the deformation and the resultant bonding were higher for the roughened substrates than that of smooth. The characteristic factors for bonding are reported and discussed. Thus the substrate roughness appears to be beneficial for the initial deposition efficiency of the kinetic spray process.

EdgeMaps: visualizing explicit and implicit relations

Science.gov (United States)

Dörk, Marian; Carpendale, Sheelagh; Williamson, Carey

2011-01-01

In this work, we introduce EdgeMaps as a new method for integrating the visualization of explicit and implicit data relations. Explicit relations are specific connections between entities already present in a given dataset, while implicit relations are derived from multidimensional data based on shared properties and similarity measures. Many datasets include both types of relations, which are often difficult to represent together in information visualizations. Node-link diagrams typically focus on explicit data connections, while not incorporating implicit similarities between entities. Multi-dimensional scaling considers similarities between items, however, explicit links between nodes are not displayed. In contrast, EdgeMaps visualize both implicit and explicit relations by combining and complementing spatialization and graph drawing techniques. As a case study for this approach we chose a dataset of philosophers, their interests, influences, and birthdates. By introducing the limitation of activating only one node at a time, interesting visual patterns emerge that resemble the aesthetics of fireworks and waves. We argue that the interactive exploration of these patterns may allow the viewer to grasp the structure of a graph better than complex node-link visualizations.

Decomposition of heterogeneous organic matterand its long-term stabilization in soils

Science.gov (United States)

Sierra, Carlos A.; Harmon, Mark E.; Perakis, Steven S.

2011-01-01

Soil organic matter is a complex mixture of material with heterogeneous biological, physical, and chemical properties. Decomposition models represent this heterogeneity either as a set of discrete pools with different residence times or as a continuum of qualities. It is unclear though, whether these two different approaches yield comparable predictions of organic matter dynamics. Here, we compare predictions from these two different approaches and propose an intermediate approach to study organic matter decomposition based on concepts from continuous models implemented numerically. We found that the disagreement between discrete and continuous approaches can be considerable depending on the degree of nonlinearity of the model and simulation time. The two approaches can diverge substantially for predicting long-term processes in soils. Based on our alternative approach, which is a modification of the continuous quality theory, we explored the temporal patterns that emerge by treating substrate heterogeneity explicitly. The analysis suggests that the pattern of carbon mineralization over time is highly dependent on the degree and form of nonlinearity in the model, mostly expressed as differences in microbial growth and efficiency for different substrates. Moreover, short-term stabilization and destabilization mechanisms operating simultaneously result in long-term accumulation of carbon characterized by low decomposition rates, independent of the characteristics of the incoming litter. We show that representation of heterogeneity in the decomposition process can lead to substantial improvements in our understanding of carbon mineralization and its long-term stability in soils.

Quantifying heterogeneity of lesion uptake in dynamic contrast enhanced MRI for breast cancer diagnosis

International Nuclear Information System (INIS)

Karahaliou, A; Skiadopoulos, S; Yiakoumelos, A; Costaridou, L; Vassiou, K; Kanavou, T

2009-01-01

The current study investigates whether texture features extracted from lesion kinetics feature maps can be used for breast cancer diagnosis. Fifty five women with 57 breast lesions (27 benign, 30 malignant) were subjected to dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) on 1.5T system. A linear-slope model was fitted pixel-wise to a representative lesion slice time series and fitted parameters were used to create three kinetic maps (wash out, time to peak enhancement and peak enhancement). 28 grey level co-occurrence matrices features were extracted from each lesion kinetic map. The ability of texture features per map in discriminating malignant from benign lesions was investigated using a Probabilistic Neural Network classifier. Additional classification was performed by combining classification outputs of most discriminating feature subsets from the three maps, via majority voting. The combined scheme outperformed classification based on individual maps achieving area under Receiver Operating Characteristics curve 0.960±0.029. Results suggest that heterogeneity of breast lesion kinetics, as quantified by texture analysis, may contribute to computer assisted tissue characterization in DCE-MRI.

Explicit modeling of volatile organic compounds partitioning in the atmospheric aqueous phase

Directory of Open Access Journals (Sweden)

C. Mouchel-Vallon

2013-01-01

Full Text Available The gas phase oxidation of organic species is a multigenerational process involving a large number of secondary compounds. Most secondary organic species are water-soluble multifunctional oxygenated molecules. The fully explicit chemical mechanism GECKO-A (Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere is used to describe the oxidation of organics in the gas phase and their mass transfer to the aqueous phase. The oxidation of three hydrocarbons of atmospheric interest (isoprene, octane and α-pinene is investigated for various NO_x conditions. The simulated oxidative trajectories are examined in a new two dimensional space defined by the mean oxidation state and the solubility. The amount of dissolved organic matter was found to be very low (yield less than 2% on carbon atom basis under a water content typical of deliquescent aerosols. For cloud water content, 50% (isoprene oxidation to 70% (octane oxidation of the carbon atoms are found in the aqueous phase after the removal of the parent hydrocarbons for low NO_x conditions. For high NO_x conditions, this ratio is only 5% in the isoprene oxidation case, but remains large for α-pinene and octane oxidation cases (40% and 60%, respectively. Although the model does not yet include chemical reactions in the aqueous phase, much of this dissolved organic matter should be processed in cloud drops and modify both oxidation rates and the speciation of organic species.

Validation of an experimental setup to study atmospheric heterogeneous ozonolysis of semi-volatile organic compounds

Directory of Open Access Journals (Sweden)

M. Pflieger

2009-03-01

Full Text Available There is currently a need for reliable experimental procedures to follow the heterogeneous processing simulating the atmospheric conditions. This work offers an alternative experimental device to study the behaviour of semi-volatile organic compounds (SVOC that presumably exhibit extremely slow reactivity (e.g. pesticides towards the atmospheric oxidants such as ozone and OH. Naphthalene was chosen as a test compound since it was widely studied in the past and hence represents a good reference. Prior to ozone exposure, the gaseous naphthalene was adsorbed via gas-solid equilibrium on silica and XAD-4 particles. Then, the heterogeneous reaction of ozone with adsorbed naphthalene was investigated in specially designed flow tube reactors. After the reaction, the remaining naphthalene (adsorbed on particles surface was extracted, filtered and analyzed by Gas Chromatography-Flame Ionization Detector (GC-FID. Thus, the kinetics results were obtained following the consumption of naphthalene. Using this procedure, the rate constants of heterogeneous ozonolysis of naphthalene (k_O3 silica=2.26 (±0.09×10⁻¹⁷ cm³ molec⁻¹ s⁻¹ and k_O3 XAD-4=4.29 (±1.06×10⁻¹⁹ cm³ molec⁻¹ s⁻¹ were determined for silica and XAD-4 particles, at 25°C and relative humidity <0.7%. The results show that the nature of the particles significantly affects the kinetics and that heterogeneous ozonolysis of naphthalene is faster than its homogeneous ozonolysis in the gas phase.

Intimate partner violence and preschoolers' explicit memory functioning.

Science.gov (United States)

Jouriles, Ernest N; Brown, Alan S; McDonald, Renee; Rosenfield, David; Leahy, Matthew M; Silver, Cheryl

2008-06-01

This research examines whether parents' intimate partner physical violence (IPV) relates to their preschoolers' explicit memory functioning, whether children's symptoms of hyperarousal mediate this relation, and whether mothers' positive parenting moderates this relation. Participants were 69 mothers and their 4- or 5-year-old child (34 girls). Mothers completed measures of IPV, children's hyperarousal symptoms, parent-child aggression, and positive parenting. Measures of explicit memory functioning were administered to preschoolers. As expected, IPV correlated negatively with preschoolers' performance on explicit memory tasks, even after controlling for parent-child aggression and demographic variables related to preschoolers' memory functioning. Preschoolers' hyperarousal symptoms did not mediate the relation between IPV and explicit memory functioning, but mothers' positive parenting moderated this relation. Specifically, the negative relation between IPV and preschoolers' performance on 2 of the 3 explicit memory tasks was weaker when mothers engaged in higher levels of positive parenting. These findings extend research on IPV and children's adjustment difficulties to explicit memory functioning in preschoolers and suggest that mothers can ameliorate the influence of IPV on preschoolers' memory functioning via their parenting. (c) 2008 APA, all rights reserved

Modeling of subtle kinetic processes in plasma simulation

International Nuclear Information System (INIS)

Sydora, R.D.; Decyk, V.K.; Dawson, J.M.

1988-01-01

A new diagnostic method for plasma simulation models is presented which enables one to probe the subtle dielectric properties of the plasma medium. The procedure involves the removal of the background plasma response in order to isolate the effects of small perturbing influences which are externally added. We have found the technique accurately describes fundamental kinetic plasma behavior such as the shielding of individual test charges and currents. Wave emission studies and drag of test particles has been carried out in explicit particle algorithms as well as large time step implicit and gyrokinetic models. Accurate plasma behavior is produced and it is possible to investigate in detail, processes which can be compared with plasma kinetic theory. The technique of subtraction is not only limited to particle simulation models but also can be used in MHD or fluid models where resolution is difficult due to the intensity of the background response relative to the phenomena one is interested in measuring, such as a weakly grouwing instability or nonlinear mode coupling effect. (author)

Building an explicit de Sitter

Energy Technology Data Exchange (ETDEWEB)

Louis, Jan [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Hamburg Univ. (Germany). Zentrum fuer Mathematische Physik; Rummel, Markus; Valandro, Roberto [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Westphal, Alexander [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Gruppe Theorie

2012-11-15

We construct an explicit example of a de Sitter vacuum in type IIB string theory that realizes the proposal of Kaehler uplifting. As the large volume limit in this method depends on the rank of the largest condensing gauge group we carry out a scan of gauge group ranks over the Kreuzer-Skarke set of toric Calabi-Yau threefolds. We find large numbers of models with the largest gauge group factor easily exceeding a rank of one hundred. We construct a global model with Kaehler uplifting on a two-parameter model on CP{sup 4}{sub 11169}, by an explicit analysis from both the type IIB and F-theory point of view. The explicitness of the construction lies in the realization of a D7 brane configuration, gauge flux and RR and NS flux choices, such that all known consistency conditions are met and the geometric moduli are stabilized in a metastable de Sitter vacuum with spontaneous GUT scale supersymmetry breaking driven by an F-term of the Kaehler moduli.

Building an explicit de Sitter

International Nuclear Information System (INIS)

Louis, Jan; Hamburg Univ.; Rummel, Markus; Valandro, Roberto; Westphal, Alexander

2012-11-01

We construct an explicit example of a de Sitter vacuum in type IIB string theory that realizes the proposal of Kaehler uplifting. As the large volume limit in this method depends on the rank of the largest condensing gauge group we carry out a scan of gauge group ranks over the Kreuzer-Skarke set of toric Calabi-Yau threefolds. We find large numbers of models with the largest gauge group factor easily exceeding a rank of one hundred. We construct a global model with Kaehler uplifting on a two-parameter model on CP 4 11169 , by an explicit analysis from both the type IIB and F-theory point of view. The explicitness of the construction lies in the realization of a D7 brane configuration, gauge flux and RR and NS flux choices, such that all known consistency conditions are met and the geometric moduli are stabilized in a metastable de Sitter vacuum with spontaneous GUT scale supersymmetry breaking driven by an F-term of the Kaehler moduli.

Towards a theoretical foundation for explicitation and implicitation

OpenAIRE

De Metsenaere, Hinde; Vandepitte, Sonia

2017-01-01

Explicitation and implicitation are two translation studies concepts that have given rise to a vast array of studies. These studies are, however, often difficult to compare, primarily because explicitation and implicitation have been interpreted differently, not rarely intuitively, by many translation studies researchers. This is due to the fact that the underlying concepts of explicitness and implicitness have not yet been satisfactorily defined for translation studies purposes. It is there...

Structure-activity relationships of heterogeneous catalysts from time-resolved X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Ressler, T.; Jentoft, R.E.; Wienold, J.; Girgsdies, F.; Neisius, T.; Timpe, O.

2003-01-01

Knowing the composition and the evolution of the bulk structure of a heterogeneous catalyst under working conditions (in situ) is a pre-requisite for understanding structure-activity relationships. X-ray absorption spectroscopy can be employed to study a catalytically active material in situ. In addition to steady-state investigations, the technique permits experiments with a time-resolution in the sub-second range to elucidate the solid-state kinetics of the reactions involved. Combined with mass spectrometry, the evolution of the short-range order structure of a heterogeneous catalyst, the average valence of the constituent metals, and the phase composition can be obtained. Here we present results obtained from time-resolved studies on the reduction of MoO 3 in propene and in propene and oxygen

Solution of the point kinetics equations in the presence of Newtonian temperature feedback by Pade approximations via the analytical inversion method

International Nuclear Information System (INIS)

Aboanber, A E; Nahla, A A

2002-01-01

A method based on the Pade approximations is applied to the solution of the point kinetics equations with a time varying reactivity. The technique consists of treating explicitly the roots of the inhour formula. A significant improvement has been observed by treating explicitly the most dominant roots of the inhour equation, which usually would make the Pade approximation inaccurate. Also the analytical inversion method which permits a fast inversion of polynomials of the point kinetics matrix is applied to the Pade approximations. Results are presented for several cases of Pade approximations using various options of the method with different types of reactivity. The formalism is applicable equally well to non-linear problems, where the reactivity depends on the neutron density through temperature feedback. It was evident that the presented method is particularly good for cases in which the reactivity can be represented by a series of steps and performed quite well for more general cases

Social influence, agent heterogeneity and the emergence of the urban informal sector

Science.gov (United States)

García-Díaz, César; Moreno-Monroy, Ana I.

2012-02-01

We develop an agent-based computational model in which the urban informal sector acts as a buffer where rural migrants can earn some income while queuing for higher paying modern-sector jobs. In the model, the informal sector emerges as a result of rural-urban migration decisions of heterogeneous agents subject to social influence in the form of neighboring effects of varying strengths. Besides using a multinomial logit choice model that allows for agent idiosyncrasy, explicit agent heterogeneity is introduced in the form of socio-demographic characteristics preferred by modern-sector employers. We find that different combinations of the strength of social influence and the socio-economic composition of the workforce lead to very different urbanization and urban informal sector shares. In particular, moderate levels of social influence and a large proportion of rural inhabitants with preferred socio-demographic characteristics are conducive to a higher urbanization rate and a larger informal sector.

Explicit dissipative structures

International Nuclear Information System (INIS)

Roessler, O.E.

1987-01-01

Dissipative structures consisting of a few macrovariables arise out of a sea of reversible microvariables. Unexpected residual effects of the massive underlying reversibility, on the macrolevel, cannot therefore be excluded. In the age of molecular-dynamics simulations, explicit dissipative structures like excitable systems (explicit observers) can be generated in a computer from first reversible principles. A class of classical, 1-D Hamiltonian systems of chaotic type is considered which has the asset that the trajectorial behavior in phase space can be understood geometrically. If, as nuatural, the number of particle types is much smaller than that of particles, the Gibbs symmetry must be taken into account. The permutation invariance drastically changes the behavior in phase space (quasi-periodization). The explicity observer becomes effectively reversible on a short time scale. In consequence, his ability to measure microscopic motions is suspended in a characteristic fashion. Unlike quantum mechanics whose holistic nature cannot be transcended, the present holistic (internal-interface) effects - mimicking the former to some extent - can be understood fully in principle

Factors influencing heterogeneity of radiation-induced DNA-damage measured by the alkaline comet assay

Directory of Open Access Journals (Sweden)

Seidel Clemens

2012-04-01

Full Text Available Abstract Background To investigate whether different conditions of DNA structure and radiation treatment could modify heterogeneity of response. Additionally to study variance as a potential parameter of heterogeneity for radiosensitivity testing. Methods Two-hundred leukocytes per sample of healthy donors were split into four groups. I: Intact chromatin structure; II: Nucleoids of histone-depleted DNA; III: Nucleoids of histone-depleted DNA with 90 mM DMSO as antioxidant. Response to single (I-III and twice (IV irradiation with 4 Gy and repair kinetics were evaluated using %Tail-DNA. Heterogeneity of DNA damage was determined by calculation of variance of DNA-damage (V and mean variance (Mvar, mutual comparisons were done by one-way analysis of variance (ANOVA. Results Heterogeneity of initial DNA-damage (I, 0 min repair increased without histones (II. Absence of histones was balanced by addition of antioxidants (III. Repair reduced heterogeneity of all samples (with and without irradiation. However double irradiation plus repair led to a higher level of heterogeneity distinguishable from single irradiation and repair in intact cells. Increase of mean DNA damage was associated with a similarly elevated variance of DNA damage (r = +0.88. Conclusions Heterogeneity of DNA-damage can be modified by histone level, antioxidant concentration, repair and radiation dose and was positively correlated with DNA damage. Experimental conditions might be optimized by reducing scatter of comet assay data by repair and antioxidants, potentially allowing better discrimination of small differences. Amount of heterogeneity measured by variance might be an additional useful parameter to characterize radiosensitivity.

EXPLICIT PLANNING FOR PARAGRAPH WRITING CLASS

Directory of Open Access Journals (Sweden)

Lestari Setyowati

2017-11-01

Full Text Available The purpose of the study is to improve the students writing ability for paragraph writing class. The subjects of the study were 37 students of English Education Study Program who joined the paragraph writing class. The design of the study was Classroom Action Research with two cycles. Cycle 1 consisted of three meetings, and cycle 2 consisted of two meetings. The types of explicit planning used in the action research were word listing and word mapping with phrases and sentence for detail.  The instruments used were direct writing test, observation, and  documentation of students’ reflective essay. To score the students’ writing, two raters  were asked to rate the composition by using Jacobs ESL Composition profile scoring rubric. The finding shows that the use of explicit planning was able to improve the students’ paragraph writing performance, indicated with the achievement of the criteria of success. The students’ mean improved from cycle 1 (74.62  to cycle2 (76.78. Although explicit planning instruction was able to help the students to write better, data from their self-reflection essay showed that many of the students preferred to use free writing instead of explicit planning instruction.

Coupling Chemical Kinetics and Flashes in Reactive, Thermal and Compositional Reservoir Simulation

DEFF Research Database (Denmark)

Kristensen, Morten Rode; Gerritsen, Margot G.; Thomsen, Per Grove

2007-01-01

of convergence and error test failures by more than 50% compared to direct integration without the new algorithm. To facilitate the algorithmic development we construct a virtual kinetic cell model. We use implicit one-step ESDIRK (Explicit Singly Diagonal Implicit Runge-Kutta) methods for integration......Phase changes are known to cause convergence problems for integration of stiff kinetics in thermal and compositional reservoir simulations. We propose an algorithm for detection and location of phase changes based on discrete event system theory. The algorithm provides a robust way for handling...... the switching of variables and equations required when the number of phases changes. We extend the method to handle full phase equilibrium described by an equation of state. Experiments show that the new algorithm improves the robustness of the integration process near phase boundaries by lowering the number...

Implicit and Explicit Instruction of Spelling Rules

Science.gov (United States)

Kemper, M. J.; Verhoeven, L.; Bosman, A. M. T.

2012-01-01

The study aimed to compare the differential effectiveness of explicit and implicit instruction of two Dutch spelling rules. Students with and without spelling disabilities were instructed a spelling rule either implicitly or explicitly in two experiments. Effects were tested in a pretest-intervention-posttest control group design. Experiment 1…

Explicit TE/TM scheme for particle beam simulations

International Nuclear Information System (INIS)

Dohlus, M.; Zagorodnov, I.

2008-10-01

In this paper we propose an explicit two-level conservative scheme based on a TE/TM like splitting of the field components in time. Its dispersion properties are adjusted to accelerator problems. It is simpler and faster than the implicit version. It does not have dispersion in the longitudinal direction and the dispersion properties in the transversal plane are improved. The explicit character of the new scheme allows a uniformly stable conformal method without iterations and the scheme can be parallelized easily. It assures energy and charge conservation. A version of this explicit scheme for rotationally symmetric structures is free from the progressive time step reducing for higher order azimuthal modes as it takes place for Yee's explicit method used in the most popular electrodynamics codes. (orig.)

Multicell Cooperation for LTE-Advanced Heterogeneous Network Scenarios

DEFF Research Database (Denmark)

Soret, Beatriz; Wang, Hua; Rosa, Claudio

2013-01-01

In this article we present two promising practical use cases for simple multicell cooperation for LTE-Advanced heterogeneous network (HetNet) scenarios with macro and small cells. For co-channel deployment cases, we recommend the use of enhanced inter-cell interference coordination (e......ICIC) to mitigate cross-tier interference and ensure sufficient offload of users from macro to small cells. It is shown how the eICIC benefit is maximized by using a distributed inter-base station control framework for dynamic adjustment of essential parameters. Secondly, for scenarios where macro and small cells...... are deployed at different carriers an efficient use of the fragmented spectrum can be achieved by using collaborative inter-site carrier aggregation. In addition to distributed coordination/collaboration between base station nodes, the importance of explicit terminal assistance is highlighted. Comprehensive...

ESR study into mechanism of heterogeneous-catalytic oxidation on oxides

Energy Technology Data Exchange (ETDEWEB)

Topchieva, K V; Loginov, A Yu; Kostikov, S V [Moskovskij Gosudarstvennyj Univ. (USSR)

1977-12-11

The role of radical particles in heterogeneous-catalytic oxidation of H/sub 2/; CO; SO/sub 2/; NH/sub 3/; C/sub 3/H/sub 6/ on the rare earth oxides (yttrium, lanthanum, magnesium and scandium oxides) and alkaline earth metal oxides was studied by the ESR method. The conclusion was made about the great reactivity of the peroxide structures O/sub 2//sup -/ in the oxidation catalysis in comparison to other formulas of chemisorption oxigen on oxides. The kinetic investigations are chemisorption oxigen on oxides. The kinetic investigations are carried out on the change of the concentration of paramagnetic particles O/sub 2/ during the catalysis. On the basis of the received data the conclusion is made about the reaction process of catalytic oxidation on rare and alkaline-earth oxides according to radical-chain mechanism with the formation of radical particles O/sub 2//sup -/, CO/sub 3//sup -/, SO/sub 4//sup -/, CO/sub 2//sup -/ as interediate products.

The effect of explicit financial incentives on physician behavior.

Science.gov (United States)

Armour, B S; Pitts, M M; Maclean, R; Cangialose, C; Kishel, M; Imai, H; Etchason, J

2001-05-28

Managed care organizations use explicit financial incentives to influence physicians' use of resources. This has contributed to concerns regarding conflicts of interest for physicians and adverse effects on the quality of patient care. In light of recent publicized legislative and legal battles about this issue, we reviewed the literature and analyzed studies that examine the effect of these explicit financial incentives on the behavior of physicians. The method used to undertake the literature review followed the approach set forth in the Cochrane Collaboration handbook. Our literature review revealed a paucity of data on the effect of explicit financial incentives. Based on this limited evidence, explicit incentives that place individual physicians at financial risk appear to be effective in reducing physician resource use. However, the empirical evidence regarding the effectiveness of bonus payments on physician resource use is mixed. Similarly, our review revealed mixed effects of the influence of explicit financial incentives on the quality of patient care. The effect of explicit financial incentives on physician behavior is complicated by a lack of understanding of the incentive structure by the managed care organization and the physician. The lack of a universally acceptable definition of quality renders it important that future researchers identify the term explicitly.

Pine invasions in treeless environments: dispersal overruns microsite heterogeneity.

Science.gov (United States)

Pauchard, Aníbal; Escudero, Adrián; García, Rafael A; de la Cruz, Marcelino; Langdon, Bárbara; Cavieres, Lohengrin A; Esquivel, Jocelyn

2016-01-01

Understanding biological invasions patterns and mechanisms is highly needed for forecasting and managing these processes and their negative impacts. At small scales, ecological processes driving plant invasions are expected to produce a spatially explicit pattern driven by propagule pressure and local ground heterogeneity. Our aim was to determine the interplay between the intensity of seed rain, using distance to a mature plantation as a proxy, and microsite heterogeneity in the spreading of Pinus contorta in the treeless Patagonian steppe. Three one-hectare plots were located under different degrees of P. contorta invasion (Coyhaique Alto, 45° 30'S and 71° 42'W). We fitted three types of inhomogeneous Poisson models to each pine plot in an attempt for describing the observed pattern as accurately as possible: the "dispersal" models, "local ground heterogeneity" models, and "combined" models, using both types of covariates. To include the temporal axis in the invasion process, we analyzed both the pattern of young and old recruits and also of all recruits together. As hypothesized, the spatial patterns of recruited pines showed coarse scale heterogeneity. Early pine invasion spatial patterns in our Patagonian steppe site is not different from expectations of inhomogeneous Poisson processes taking into consideration a linear and negative dependency of pine recruit intensity on the distance to afforestations. Models including ground-cover predictors were able to describe the point pattern process only in a couple of cases but never better than dispersal models. This finding concurs with the idea that early invasions depend more on seed pressure than on the biotic and abiotic relationships seed and seedlings establish at the microsite scale. Our results show that without a timely and active management, P. contorta will invade the Patagonian steppe independently of the local ground-cover conditions.

Hydrogen chloride heterogeneous chemistry on frozen water particles in subsonic aircraft plume. Laboratory studies and modelling

Energy Technology Data Exchange (ETDEWEB)

Persiantseva, N.V.; Popovitcheva, O.B.; Rakhimova, T.V. [Moscow State Univ. (Russian Federation)

1997-12-31

Heterogeneous chemistry of HCl, as a main reservoir of chlorine content gases, has been considered after plume cooling and ice particle formation. The HCl, HNO{sub 3}, N{sub 2}O{sub 5} uptake efficiencies by frozen water were obtained in a Knudsen-cell flow reactor at the subsonic cruise conditions. The formation of ice particles in the plume of subsonic aircraft is simulated to describe the kinetics of gaseous HCl loss due to heterogeneous processes. It is shown that the HCl uptake by frozen water particles may play an important role in the gaseous HCl depletion in the aircraft plume. (author) 14 refs.

Hydrogen chloride heterogeneous chemistry on frozen water particles in subsonic aircraft plume. Laboratory studies and modelling

Energy Technology Data Exchange (ETDEWEB)

Persiantseva, N V; Popovitcheva, O B; Rakhimova, T V [Moscow State Univ. (Russian Federation)

1998-12-31

Heterogeneous chemistry of HCl, as a main reservoir of chlorine content gases, has been considered after plume cooling and ice particle formation. The HCl, HNO{sub 3}, N{sub 2}O{sub 5} uptake efficiencies by frozen water were obtained in a Knudsen-cell flow reactor at the subsonic cruise conditions. The formation of ice particles in the plume of subsonic aircraft is simulated to describe the kinetics of gaseous HCl loss due to heterogeneous processes. It is shown that the HCl uptake by frozen water particles may play an important role in the gaseous HCl depletion in the aircraft plume. (author) 14 refs.

Spatially explicit spectral analysis of point clouds and geospatial data

Science.gov (United States)

Buscombe, Daniel D.

2015-01-01

The increasing use of spatially explicit analyses of high-resolution spatially distributed data (imagery and point clouds) for the purposes of characterising spatial heterogeneity in geophysical phenomena necessitates the development of custom analytical and computational tools. In recent years, such analyses have become the basis of, for example, automated texture characterisation and segmentation, roughness and grain size calculation, and feature detection and classification, from a variety of data types. In this work, much use has been made of statistical descriptors of localised spatial variations in amplitude variance (roughness), however the horizontal scale (wavelength) and spacing of roughness elements is rarely considered. This is despite the fact that the ratio of characteristic vertical to horizontal scales is not constant and can yield important information about physical scaling relationships. Spectral analysis is a hitherto under-utilised but powerful means to acquire statistical information about relevant amplitude and wavelength scales, simultaneously and with computational efficiency. Further, quantifying spatially distributed data in the frequency domain lends itself to the development of stochastic models for probing the underlying mechanisms which govern the spatial distribution of geological and geophysical phenomena. The software packagePySESA (Python program for Spatially Explicit Spectral Analysis) has been developed for generic analyses of spatially distributed data in both the spatial and frequency domains. Developed predominantly in Python, it accesses libraries written in Cython and C++ for efficiency. It is open source and modular, therefore readily incorporated into, and combined with, other data analysis tools and frameworks with particular utility for supporting research in the fields of geomorphology, geophysics, hydrography, photogrammetry and remote sensing. The analytical and computational structure of the toolbox is

Spatially explicit spectral analysis of point clouds and geospatial data

Science.gov (United States)

Buscombe, Daniel

2016-01-01

The increasing use of spatially explicit analyses of high-resolution spatially distributed data (imagery and point clouds) for the purposes of characterising spatial heterogeneity in geophysical phenomena necessitates the development of custom analytical and computational tools. In recent years, such analyses have become the basis of, for example, automated texture characterisation and segmentation, roughness and grain size calculation, and feature detection and classification, from a variety of data types. In this work, much use has been made of statistical descriptors of localised spatial variations in amplitude variance (roughness), however the horizontal scale (wavelength) and spacing of roughness elements is rarely considered. This is despite the fact that the ratio of characteristic vertical to horizontal scales is not constant and can yield important information about physical scaling relationships. Spectral analysis is a hitherto under-utilised but powerful means to acquire statistical information about relevant amplitude and wavelength scales, simultaneously and with computational efficiency. Further, quantifying spatially distributed data in the frequency domain lends itself to the development of stochastic models for probing the underlying mechanisms which govern the spatial distribution of geological and geophysical phenomena. The software package PySESA (Python program for Spatially Explicit Spectral Analysis) has been developed for generic analyses of spatially distributed data in both the spatial and frequency domains. Developed predominantly in Python, it accesses libraries written in Cython and C++ for efficiency. It is open source and modular, therefore readily incorporated into, and combined with, other data analysis tools and frameworks with particular utility for supporting research in the fields of geomorphology, geophysics, hydrography, photogrammetry and remote sensing. The analytical and computational structure of the toolbox is described

On the validity of effective formulations for transport through heterogeneous porous media

Science.gov (United States)

de Dreuzy, Jean-Raynald; Carrera, Jesus

2016-04-01

Geological heterogeneity enhances spreading of solutes and causes transport to be anomalous (i.e., non-Fickian), with much less mixing than suggested by dispersion. This implies that modeling transport requires adopting either stochastic approaches that model heterogeneity explicitly or effective transport formulations that acknowledge the effects of heterogeneity. A number of such formulations have been developed and tested as upscaled representations of enhanced spreading. However, their ability to represent mixing has not been formally tested, which is required for proper reproduction of chemical reactions and which motivates our work. We propose that, for an effective transport formulation to be considered a valid representation of transport through heterogeneous porous media (HPM), it should honor mean advection, mixing and spreading. It should also be flexible enough to be applicable to real problems. We test the capacity of the multi-rate mass transfer (MRMT) model to reproduce mixing observed in HPM, as represented by the classical multi-Gaussian log-permeability field with a Gaussian correlation pattern. Non-dispersive mixing comes from heterogeneity structures in the concentration fields that are not captured by macrodispersion. These fine structures limit mixing initially, but eventually enhance it. Numerical results show that, relative to HPM, MRMT models display a much stronger memory of initial conditions on mixing than on dispersion because of the sensitivity of the mixing state to the actual values of concentration. Because MRMT does not restitute the local concentration structures, it induces smaller non-dispersive mixing than HPM. However long-lived trapping in the immobile zones may sustain the deviation from dispersive mixing over much longer times. While spreading can be well captured by MRMT models, in general non-dispersive mixing cannot.

Explicit and implicit reinforcement learning across the psychosis spectrum.

Science.gov (United States)

Barch, Deanna M; Carter, Cameron S; Gold, James M; Johnson, Sheri L; Kring, Ann M; MacDonald, Angus W; Pizzagalli, Diego A; Ragland, J Daniel; Silverstein, Steven M; Strauss, Milton E

2017-07-01

Motivational and hedonic impairments are core features of a variety of types of psychopathology. An important aspect of motivational function is reinforcement learning (RL), including implicit (i.e., outside of conscious awareness) and explicit (i.e., including explicit representations about potential reward associations) learning, as well as both positive reinforcement (learning about actions that lead to reward) and punishment (learning to avoid actions that lead to loss). Here we present data from paradigms designed to assess both positive and negative components of both implicit and explicit RL, examine performance on each of these tasks among individuals with schizophrenia, schizoaffective disorder, and bipolar disorder with psychosis, and examine their relative relationships to specific symptom domains transdiagnostically. None of the diagnostic groups differed significantly from controls on the implicit RL tasks in either bias toward a rewarded response or bias away from a punished response. However, on the explicit RL task, both the individuals with schizophrenia and schizoaffective disorder performed significantly worse than controls, but the individuals with bipolar did not. Worse performance on the explicit RL task, but not the implicit RL task, was related to worse motivation and pleasure symptoms across all diagnostic categories. Performance on explicit RL, but not implicit RL, was related to working memory, which accounted for some of the diagnostic group differences. However, working memory did not account for the relationship of explicit RL to motivation and pleasure symptoms. These findings suggest transdiagnostic relationships across the spectrum of psychotic disorders between motivation and pleasure impairments and explicit RL. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Kinetics of boron ions sorption from solution by inorganic anion exchanger of MNH type

International Nuclear Information System (INIS)

Leont'eva, G.V.

1990-01-01

By the method of restricted volume in case of boron excess in solution kinetics of boron sorption by inorganic anion-exchanger of the composition (Mg 0.55 Ni 0.45 )(OH) 2 has been studied. The sorption was carried out from solution containing Na + , K + , Ca 2+ , Mg 2+ , Cl - , SO 4 2- , CO 3 2- , HCO 3 at 283, 293, 303 and 313 K and pH 8.1, while the density of solution was 1225 kg/m 3 . The sorption mechanism was considered. It is shown that heterogeneity of the character of kinetic curves is caused by the change in the mechanism of limiting stages of the sorption

Measuring Explicit Word Learning of Preschool Children: A Development Study.

Science.gov (United States)

Kelley, Elizabeth Spencer

2017-08-15

The purpose of this article is to present preliminary results related to the development of a new measure of explicit word learning. The measure incorporated elements of explicit vocabulary instruction and dynamic assessment and was designed to be sensitive to differences in word learning skill and to be feasible for use in clinical settings. The explicit word learning measure included brief teaching trials and repeated fine-grained measurement of semantic knowledge and production of 3 novel words (2 verbs and 1 adjective). Preschool children (N = 23) completed the measure of explicit word learning; standardized, norm-referenced measures of expressive and receptive vocabulary; and an incidental word learning task. The measure of explicit word learning provided meaningful information about word learning. Performance on the explicit measure was related to existing vocabulary knowledge and incidental word learning. Findings from this development study indicate that further examination of the measure of explicit word learning is warranted. The measure may have the potential to identify children who are poor word learners. https://doi.org/10.23641/asha.5170738.

Idempotent Dirac density matrix for ten-electron central field inhomogeneous electron liquids in terms of electron- and kinetic energy-densities

International Nuclear Information System (INIS)

March, N.H.

2006-08-01

A differential equation for the Dirac density matrix γ(r, r'), given ground-state electron- and kinetic energy-densities, has been derived by March and Suhai for one- and two-level occupancy. For ten-electron spin-compensated spherical systems, it is shown here that γ ≡ γ[ρ, t g ] where ρ and t g are electron- and kinetic energy-densities. The philosophy of March and Suhai is confirmed beyond two-level filling. An important byproduct of the present approach is an explicit expression for the one-body potential of DFT in terms of the p-shell electron density. (author)

Scaling the heterogeneously heated convective boundary layer

Science.gov (United States)

Van Heerwaarden, C.; Mellado, J.; De Lozar, A.

2013-12-01

We have studied the heterogeneously heated convective boundary layer (CBL) by means of large-eddy simulations (LES) and direct numerical simulations (DNS). What makes our study different from previous studies on this subject are our very long simulations in which the system travels through multiple states and that from there we have derived scaling laws. In our setup, a stratified atmosphere is heated from below by square patches with a high surface buoyancy flux, surrounded by regions with no or little flux. By letting a boundary layer grow in time we let the system evolve from the so-called meso-scale to the micro-scale regime. In the former the heterogeneity is large and strong circulations can develop, while in the latter the heterogeneity is small and does no longer influence the boundary layer structure. Within each simulation we can now observe the formation of a peak in kinetic energy, which represents the 'optimal' heterogeneity size in the meso-scale, and the subsequent decay of the peak and the development towards the transition to the micro-scale. We have created a non-dimensional parameter space that describes all properties of this system. By studying the previously described evolution for different combinations of parameters, we have derived three important conclusions. First, there exists a horizontal length scale of the heterogeneity (L) that is a function of the boundary layer height (h) and the Richardson (Ri) number of the inversion at the top of the boundary layer. This relationship has the form L = h Ri^(3/8). Second, this horizontal length scale L allows for expressing the time evolution, and thus the state of the system, as a ratio of this length scale and the distance between two patches Xp. This ratio thus describes to which extent the circulation fills up the space that exists between two patch centers. The timings of the transition from the meso- to the micro-scale collapse under this scaling for all simulations sharing the same flux

Pharmacogenomics Bias - Systematic distortion of study results by genetic heterogeneity

Directory of Open Access Journals (Sweden)

Zietemann, Vera

2008-04-01

trial. Results: We found four studies that systematically evaluated heterogeneity bias. All of them indicated that there is a potential of heterogeneity bias. However, none of these studies explicitly investigated the effect of genetic heterogeneity. Therefore, we performed our own simulation study. Our generic simulation showed that a purely HT-related bias is negative (conservative and a purely HP-related bias is positive (liberal. For many typical scenarios, the absolute bias is smaller than 10%. In case of joint HP and HT, the overall bias is likely triggered by the HP component and reaches positive values >100% if fractions of „fast progressors" and „strong treatment responders" are low. In the clinical example with pravastatin therapy, the unadjusted model overestimated the true life-years gained (LYG by 5.5% (1.07 LYG vs. 0.99 LYG for 56-year-old men. Conclusions: We have been able to predict the pharmacogenomics bias jointly caused by heterogeneity in progression of disease and heterogeneity in treatment response as a function of characteristics of patients, chronic disease, and treatment. In the case of joint presence of both types of heterogeneity, models ignoring this heterogeneity may generate results that overestimate the treatment benefit.

Experimental oligopolies modeling: A dynamic approach based on heterogeneous behaviors

Science.gov (United States)

Cerboni Baiardi, Lorenzo; Naimzada, Ahmad K.

2018-05-01

In the rank of behavioral rules, imitation-based heuristics has received special attention in economics (see [14] and [12]). In particular, imitative behavior is considered in order to understand the evidences arising in experimental oligopolies which reveal that the Cournot-Nash equilibrium does not emerge as unique outcome and show that an important component of the production at the competitive level is observed (see e.g.[1,3,9] or [7,10]). By considering the pioneering groundbreaking approach of [2], we build a dynamical model of linear oligopolies where heterogeneous decision mechanisms of players are made explicit. In particular, we consider two different types of quantity setting players characterized by different decision mechanisms that coexist and operate simultaneously: agents that adaptively adjust their choices towards the direction that increases their profit are embedded with imitator agents. The latter ones use a particular form of proportional imitation rule that considers the awareness about the presence of strategic interactions. It is noteworthy that the Cournot-Nash outcome is a stationary state of our models. Our thesis is that the chaotic dynamics arousing from a dynamical model, where heterogeneous players are considered, are capable to qualitatively reproduce the outcomes of experimental oligopolies.

Implicit vs. Explicit Trust in Social Matrix Factorization

NARCIS (Netherlands)

Fazeli, Soude; Loni, Babak; Bellogin, Alejandro; Drachsler, Hendrik; Sloep, Peter

2014-01-01

Incorporating social trust in Matrix Factorization (MF) methods demonstrably improves accuracy of rating prediction. Such approaches mainly use the trust scores explicitly expressed by users. However, it is often challenging to have users provide explicit trust scores of each other. There exist

Large epidemic thresholds emerge in heterogeneous networks of heterogeneous nodes

Science.gov (United States)

Yang, Hui; Tang, Ming; Gross, Thilo

2015-08-01

One of the famous results of network science states that networks with heterogeneous connectivity are more susceptible to epidemic spreading than their more homogeneous counterparts. In particular, in networks of identical nodes it has been shown that network heterogeneity, i.e. a broad degree distribution, can lower the epidemic threshold at which epidemics can invade the system. Network heterogeneity can thus allow diseases with lower transmission probabilities to persist and spread. However, it has been pointed out that networks in which the properties of nodes are intrinsically heterogeneous can be very resilient to disease spreading. Heterogeneity in structure can enhance or diminish the resilience of networks with heterogeneous nodes, depending on the correlations between the topological and intrinsic properties. Here, we consider a plausible scenario where people have intrinsic differences in susceptibility and adapt their social network structure to the presence of the disease. We show that the resilience of networks with heterogeneous connectivity can surpass those of networks with homogeneous connectivity. For epidemiology, this implies that network heterogeneity should not be studied in isolation, it is instead the heterogeneity of infection risk that determines the likelihood of outbreaks.

Large epidemic thresholds emerge in heterogeneous networks of heterogeneous nodes.

Science.gov (United States)

Yang, Hui; Tang, Ming; Gross, Thilo

2015-08-21

One of the famous results of network science states that networks with heterogeneous connectivity are more susceptible to epidemic spreading than their more homogeneous counterparts. In particular, in networks of identical nodes it has been shown that network heterogeneity, i.e. a broad degree distribution, can lower the epidemic threshold at which epidemics can invade the system. Network heterogeneity can thus allow diseases with lower transmission probabilities to persist and spread. However, it has been pointed out that networks in which the properties of nodes are intrinsically heterogeneous can be very resilient to disease spreading. Heterogeneity in structure can enhance or diminish the resilience of networks with heterogeneous nodes, depending on the correlations between the topological and intrinsic properties. Here, we consider a plausible scenario where people have intrinsic differences in susceptibility and adapt their social network structure to the presence of the disease. We show that the resilience of networks with heterogeneous connectivity can surpass those of networks with homogeneous connectivity. For epidemiology, this implies that network heterogeneity should not be studied in isolation, it is instead the heterogeneity of infection risk that determines the likelihood of outbreaks.

Explicit Nonlinear Model Predictive Control Theory and Applications

CERN Document Server

Grancharova, Alexandra

2012-01-01

Nonlinear Model Predictive Control (NMPC) has become the accepted methodology to solve complex control problems related to process industries. The main motivation behind explicit NMPC is that an explicit state feedback law avoids the need for executing a numerical optimization algorithm in real time. The benefits of an explicit solution, in addition to the efficient on-line computations, include also verifiability of the implementation and the possibility to design embedded control systems with low software and hardware complexity. This book considers the multi-parametric Nonlinear Programming (mp-NLP) approaches to explicit approximate NMPC of constrained nonlinear systems, developed by the authors, as well as their applications to various NMPC problem formulations and several case studies. The following types of nonlinear systems are considered, resulting in different NMPC problem formulations: Ø  Nonlinear systems described by first-principles models and nonlinear systems described by black-box models; �...

The influence of adsorbate interactions on elementary reaction kinetics : CO with NO, N, O, or H on Rh(100)

NARCIS (Netherlands)

Jansen, M.M.M.

2010-01-01

The kinetics of heterogeneously catalysed reactions is often described by highly simplified models. For example, the reacting adsorbates occupy one kind of site, surfaces do not reconstruct and lateral interactions between adsorbates are often neglected. Particularly the latter is only allowed for

Kinetic behavior of manganese in mangrove ecosystem - Itacuruca, Rio de Janeiro State, Brazil

International Nuclear Information System (INIS)

Canesin, Fatima de Paiva; Bellido Junior, Alfredo Victor

2002-01-01

The redox cycling of manganese has pronounced effects on the adsorption of trace elements onto oxide surfaces is leaving these unavailable for the biota. Specific constants for the kinetics oxidation reaction of Mn in mangrove ecosystems have been measured. Water samples with different characteristics were collected in a tidal creek in a mangrove forest growth at Itacuruca, RJ. The methodology used to study the kinetics was, incubation of the water, in laboratory, with Mn-54. The oxides precipitates were filtered at constant intervals of time. The Mn-54 decay on the filters and filtrates were counted, for 600 s, in HPGe and associated electronics ORTEC. Ln A x t diagram showed an autocatalytic kinetic behavior. Temperature, pH, O 2 dissolved, salinity, Mn (II) and Mn (IV) were appraised. The rate constant k ' 1 1 varied from 1,0 x 10 -5 to 4,0 x 10 -5 s -1 . The k ' 2 rate constant had a larger variation, according to the other kinetic model that shows more of a heterogeneous affect, or catalysis via bacteria. We found a mean half life for Mn(II) of 12 h for the homogeneous kinetics in the mangrove. Rate constants increased with the pH, temperature, O 2 dissolved, tide height, and decrease with salinity. (author)

Analytic solution of boundary-value problems for nonstationary model kinetic equations

International Nuclear Information System (INIS)

Latyshev, A.V.; Yushkanov, A.A.

1993-01-01

A theory for constructing the solutions of boundary-value problems for non-stationary model kinetic equations is constructed. This theory was incorrectly presented equation, separation of the variables is used, this leading to a characteristic equation. Eigenfunctions are found in the space of generalized functions, and the eigenvalue spectrum is investigated. An existence and uniqueness theorem for the expansion of the Laplace transform of the solution with respect to the eigenfunctions is proved. The proof is constructive and gives explicit expressions for the expansion coefficients. An application to the Rayleigh problem is obtained, and the corresponding result of Cercignani is corrected

Kinetic analysis of overlapping multistep thermal decomposition comprising exothermic and endothermic processes: thermolysis of ammonium dinitramide.

Science.gov (United States)

Muravyev, Nikita V; Koga, Nobuyoshi; Meerov, Dmitry B; Pivkina, Alla N

2017-01-25

This study focused on kinetic modeling of a specific type of multistep heterogeneous reaction comprising exothermic and endothermic reaction steps, as exemplified by the practical kinetic analysis of the experimental kinetic curves for the thermal decomposition of molten ammonium dinitramide (ADN). It is known that the thermal decomposition of ADN occurs as a consecutive two step mass-loss process comprising the decomposition of ADN and subsequent evaporation/decomposition of in situ generated ammonium nitrate. These reaction steps provide exothermic and endothermic contributions, respectively, to the overall thermal effect. The overall reaction process was deconvoluted into two reaction steps using simultaneously recorded thermogravimetry and differential scanning calorimetry (TG-DSC) curves by considering the different physical meanings of the kinetic data derived from TG and DSC by P value analysis. The kinetic data thus separated into exothermic and endothermic reaction steps were kinetically characterized using kinetic computation methods including isoconversional method, combined kinetic analysis, and master plot method. The overall kinetic behavior was reproduced as the sum of the kinetic equations for each reaction step considering the contributions to the rate data derived from TG and DSC. During reproduction of the kinetic behavior, the kinetic parameters and contributions of each reaction step were optimized using kinetic deconvolution analysis. As a result, the thermal decomposition of ADN was successfully modeled as partially overlapping exothermic and endothermic reaction steps. The logic of the kinetic modeling was critically examined, and the practical usefulness of phenomenological modeling for the thermal decomposition of ADN was illustrated to demonstrate the validity of the methodology and its applicability to similar complex reaction processes.

Heterogeneity in the spread and control of infectious disease: consequences for the elimination of canine rabies

Science.gov (United States)

Ferguson, Elaine A.; Hampson, Katie; Cleaveland, Sarah; Consunji, Ramona; Deray, Raffy; Friar, John; Haydon, Daniel T.; Jimenez, Joji; Pancipane, Marlon; Townsend, Sunny E.

2015-12-01

Understanding the factors influencing vaccination campaign effectiveness is vital in designing efficient disease elimination programmes. We investigated the importance of spatial heterogeneity in vaccination coverage and human-mediated dog movements for the elimination of endemic canine rabies by mass dog vaccination in Region VI of the Philippines (Western Visayas). Household survey data was used to parameterise a spatially-explicit rabies transmission model with realistic dog movement and vaccination coverage scenarios, assuming a basic reproduction number for rabies drawn from the literature. This showed that heterogeneous vaccination reduces elimination prospects relative to homogeneous vaccination at the same overall level. Had the three vaccination campaigns completed in Region VI in 2010-2012 been homogeneous, they would have eliminated rabies with high probability. However, given the observed heterogeneity, three further campaigns may be required to achieve elimination with probability 0.95. We recommend that heterogeneity be reduced in future campaigns through targeted efforts in low coverage areas, even at the expense of reduced coverage in previously high coverage areas. Reported human-mediated dog movements did not reduce elimination probability, so expending limited resources on restricting dog movements is unnecessary in this endemic setting. Enhanced surveillance will be necessary post-elimination, however, given the reintroduction risk from long-distance dog movements.

Kinetic research on heterogeneously catalysed processes: a questionnaire on the state-of-the-art in industry

NARCIS (Netherlands)

Bos, A.N.R.; Lefferts, Leonardus; Marin, G.B.; Steijns, M.H.G.M.

1997-01-01

On the initiative of the Working Party `Chemical Engineering in the Applications of Catalysis¿ of the European Federation of Chemical Engineering an assessment of the issues in the determination and application of kinetic data within the European industry was performed. The basis of the analysis

Changes of explicitly and implicitly measured self-esteem in the treatment of major depression: evidence for implicit self-esteem compensation.

Science.gov (United States)

Wegener, Ingo; Geiser, Franziska; Alfter, Susanne; Mierke, Jan; Imbierowicz, Katrin; Kleiman, Alexandra; Koch, Anne Sarah; Conrad, Rupert

2015-04-01

Self-esteem has been claimed to be an important factor in the development and maintenance of depression. Whereas explicit self-esteem is usually reduced in depressed individuals, studies on implicitly measured self-esteem in depression exhibit a more heterogeneous pattern of results, and the role of implicit self-esteem in depression is still ambiguous. Previous research on implicit self-esteem compensation (ISEC) revealed that implicit self-esteem can mirror processes of self-esteem compensation under conditions that threaten self-esteem. We assume that depressed individuals experience a permanent threat to their selves resulting in enduring processes of ISEC. We hypothesize that ISEC as measured by implicit self-esteem will decrease when individuals recover from depression. 45 patients with major depression received an integrative in-patient treatment in the Psychosomatic University Hospital Bonn, Germany. Depression was measured by the depression score of the Hospital Anxiety and Depression Scale (HADS-D). Self-esteem was assessed explicitly using the Rosenberg Self-Esteem Scale (RSES) and implicitly by the Implicit Association Test (IAT) and the Name Letter Test (NLT). As expected for a successful treatment of depression, depression scores declined during the eight weeks of treatment and explicit self-esteem rose. In line with our hypothesis, both measures of implicit self-esteem decreased, indicating reduced processes of ISEC. It still remains unclear, under which conditions there is an overlap of measures of implicit and explicit self-esteem. The results lend support to the concept of ISEC and demonstrate the relevance of implicit self-esteem and self-esteem compensation for the understanding of depression. Copyright © 2014 Elsevier Inc. All rights reserved.

Attitudinal effects of degrading themes and sexual explicitness in video materials.

Science.gov (United States)

Golde, J A; Strassberg, D S; Turner, C M; Lowe, K

2000-07-01

This study examined the independent and interactive effects of sexual explicitness and degrading themes toward women on mens' attitudes following exposure to video presentations of male-female interactions. Subjects were 83 male college students who viewed video vignettes under one of four stimulus conditions: (a) sexually explicit/degrading, (b) sexually explicit/nondegrading, (c) nonexplicit/degrading, and (d) nonexplicit/nondegrading. Results revealed that men exposed to degrading material, regardless of explicitness, were significantly more likely to express attitudes supportive of rape, while explicitness had no significant main or interactive effect on these attitudes. Further, the interaction of explicitness with degradation was found to impact scores on a measure of sexual callousness. Theoretical and clinical implications of these findings are discussed.

Raman spectroscopy, "big data", and local heterogeneity of solid state synthesized lithium titanate

Science.gov (United States)

Pelegov, Dmitry V.; Slautin, Boris N.; Gorshkov, Vadim S.; Zelenovskiy, Pavel S.; Kiselev, Evgeny A.; Kholkin, Andrei L.; Shur, Vladimir Ya.

2017-04-01

Existence of defects is an inherent property of real materials. Due to an explicit correlation between defects concentration and conductivity, it is important to understand the level and origins of the structural heterogeneity for any particulate electrode material. Poor conductive lithium titanate Li4Ti5O12 (LTO), widely used in batteries for grids and electric buses, needs it like no one else. In this work, structural heterogeneity of compacted lithium titanate is measured locally in 100 different points by conventional micro-Raman technique, characterized in terms of variation of Raman spectra parameters and interpreted using our version of "big data" analysis. This very simple approach with automated measurement and treatment has allowed us to demonstrate inherent heterogeneity of solid-state synthesized LTO and attribute it to the existence of lithium and oxygen vacancies. The proposed approach can be used as a fast, convenient, and cost-effective defects-probing tool for a wide range of materials with defects-sensitive properties. In case of LTO, such an approach can be used to increase its charge/discharge rates by synthesis of materials with controlled nonstoichiometry. New approaches to solid state synthesis of LTO, suitable for high-power applications, will help to significantly reduce the costs of batteries for heavy-duty electric vehicles and smart-grids.

Focus: Nucleation kinetics of shear bands in metallic glass.

Science.gov (United States)

Wang, J Q; Perepezko, J H

2016-12-07

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

Implicit versus explicit : An ACT-R learning perspective

NARCIS (Netherlands)

Taatgen, N.A.

1999-01-01

Dienes & Perner propose a theory of implicit and explicit knowledge that is not entirely complete. It does not address many of the empirical issues, nor does it explain the difference between implicit and explicit learning. It does, however, provide a possible unified explanation, as opposed to the

Possibility of increasing the average rate of heterogeneous catalytic reactions by operating in the self-oscillating regime

Energy Technology Data Exchange (ETDEWEB)

Chumakov, G A; Slinko, M G

1979-05-01

The possibility of increasing the average rate of heterogeneous catalytic reactions by operating in the self-oscillating regime was demonstrated by analyzing a kinetic model of hydrogen interaction with oxygen over a metallic catalyst. Within a certain interval of partial pressures of oxygen, the average reaction rate over a period of oscillation may be over five times that of the steady-state reaction.

Experimental and theoretical investigations on the carbon dioxide gas hydrate formation kinetics at the onset of turbidity regarding CO2 capture and sequestration processes

International Nuclear Information System (INIS)

ZareNezhad, Bahman; Mottahedin, Mona; Varaminian, Farshad

2013-01-01

The carbon dioxide gas hydrate formation kinetics at the onset of turbidity is experimentally and theoretically investigated. It is shown that the time-dependent heterogeneous nucleation and growth kinetics are simultaneously governing the hydrate formation process at the onset of turbidity. A new approach is also presented for determination of gas hydrate-liquid interfacial tension. The CO 2 hydrate-liquid interfacial tension according to the suggested heterogeneous nucleation mechanism is found to be about 12.7 mJ/m 2 . The overall average absolute deviation between predicted and measured CO 2 molar consumption is about 0.61%, indicating the excellent accuracy of the proposed model for studying the hydrate-based CO 2 capture and sequestration processes over wide ranges of pressures and temperatures

Electron transfer kinetics on natural crystals of MoS2 and graphite.

Science.gov (United States)

Velický, Matěj; Bissett, Mark A; Toth, Peter S; Patten, Hollie V; Worrall, Stephen D; Rodgers, Andrew N J; Hill, Ernie W; Kinloch, Ian A; Novoselov, Konstantin S; Georgiou, Thanasis; Britnell, Liam; Dryfe, Robert A W

2015-07-21

Here, we evaluate the electrochemical performance of sparsely studied natural crystals of molybdenite and graphite, which have increasingly been used for fabrication of next generation monolayer molybdenum disulphide and graphene energy storage devices. Heterogeneous electron transfer kinetics of several redox mediators, including Fe(CN)6(3-/4-), Ru(NH3)6(3+/2+) and IrCl6(2-/3-) are determined using voltammetry in a micro-droplet cell. The kinetics on both materials are studied as a function of surface defectiveness, surface ageing, applied potential and illumination. We find that the basal planes of both natural MoS2 and graphite show significant electroactivity, but a large decrease in electron transfer kinetics is observed on atmosphere-aged surfaces in comparison to in situ freshly cleaved surfaces of both materials. This is attributed to surface oxidation and adsorption of airborne contaminants at the surface exposed to an ambient environment. In contrast to semimetallic graphite, the electrode kinetics on semiconducting MoS2 are strongly dependent on the surface illumination and applied potential. Furthermore, while visibly present defects/cracks do not significantly affect the response of graphite, the kinetics on MoS2 systematically accelerate with small increase in disorder. These findings have direct implications for use of MoS2 and graphene/graphite as electrode materials in electrochemistry-related applications.

Kinetics of liquid-phase catalytic heterogeneous protium-tritium isotope exchange with participation of gaseous hydrogen

International Nuclear Information System (INIS)

Akulov, G.P.; Snetkova, E.V.; Kayumov, V.G.; Kaminskij, Yu.L.

1990-01-01

Reaction rate constants of catalytic (PdO/BaSO 4 (Al 2 O 3 ) catalyst) heterogeneous protium - tritium isotopic exchange D - [1- 3 H] of carbohydrates and gaseous oxygen have been measured. It is ascertained that the rate of isotopic exchange depends on the nature of carbohydrate, catalyst, buffer and medium acidity. The value of concentration of carbohydrate acyclic forms plays the determining role in the process

Long-term flow/chemistry feedback in a porous medium with heterogenous permeability: Kinetic control of dissolution and precipitation

International Nuclear Information System (INIS)

Bolton, E.W.; Lasaga, A.C.; Rye, D.M.

1999-01-01

The kinetics of dissolution and precipitation is of central importance to understanding the long-term evolution of fluid flows in crustal environments, with implications for problems as diverse as nuclear waste disposal and crustal evolution. The authors examine the dynamics of such evolution for several geologically relevant permeability distributions (models for en-echelon cracks, an isolated sloping fractured zone, and two sloping high-permeability zones that are close enough together to interact). Although the focus is on a simple quartz matrix system, generic features emerge from this study that can aid in the broader goal of understanding the long-term feedback between flow and chemistry, where dissolution and precipitation is under kinetic control. Examples of thermal convection in a porous medium with spatially variable permeability reveal features of central importance to water-rock interaction. After a transient phase, an accelerated rate of change of porosity may be used with care to decrease computational time, as an alternative to the quasi-stationary state approximation (Lichtner, 1988). Kinetic effects produce features not expected by traditional assumptions made on the basis of equilibrium, for example, that cooling fluids are oversaturated and heating fluids are undersaturated with respect to silicic acid equilibrium. Indeed, the authors observe regions of downwelling oversaturated fluid experiencing heating and regions of upwelling, yet cooling, undersaturated fluid. When oscillatory convection is present, the amplitudes of oscillation generally increase with time in near-surface environments, whereas amplitudes tend to decrease over long times near the heated lower boundary. The authors examine the scaling behavior of characteristic length scales, of terms in the solute equation, and of the typical deviation from equilibrium, each as a function of the kinetic rate parameters

Equilibrium and kinetic models for colloid release under transient solution chemistry conditions.

Science.gov (United States)

Bradford, Scott A; Torkzaban, Saeed; Leij, Feike; Simunek, Jiri

2015-10-01

We present continuum models to describe colloid release in the subsurface during transient physicochemical conditions. Our modeling approach relates the amount of colloid release to changes in the fraction of the solid surface area that contributes to retention. Equilibrium, kinetic, equilibrium and kinetic, and two-site kinetic models were developed to describe various rates of colloid release. These models were subsequently applied to experimental colloid release datasets to investigate the influence of variations in ionic strength (IS), pH, cation exchange, colloid size, and water velocity on release. Various combinations of equilibrium and/or kinetic release models were needed to describe the experimental data depending on the transient conditions and colloid type. Release of Escherichia coli D21g was promoted by a decrease in solution IS and an increase in pH, similar to expected trends for a reduction in the secondary minimum and nanoscale chemical heterogeneity. The retention and release of 20nm carboxyl modified latex nanoparticles (NPs) were demonstrated to be more sensitive to the presence of Ca(2+) than D21g. Specifically, retention of NPs was greater than D21g in the presence of 2mM CaCl2 solution, and release of NPs only occurred after exchange of Ca(2+) by Na(+) and then a reduction in the solution IS. These findings highlight the limitations of conventional interaction energy calculations to describe colloid retention and release, and point to the need to consider other interactions (e.g., Born, steric, and/or hydration forces) and/or nanoscale heterogeneity. Temporal changes in the water velocity did not have a large influence on the release of D21g for the examined conditions. This insensitivity was likely due to factors that reduce the applied hydrodynamic torque and/or increase the resisting adhesive torque; e.g., macroscopic roughness and grain-grain contacts. Our analysis and models improve our understanding and ability to describe the amounts

Modelling the collective response of heterogeneous cell populations to stationary gradients and chemical signal relay

Science.gov (United States)

Pineda, M.; Eftimie, R.

2017-12-01

The directed motion of cell aggregates toward a chemical source occurs in many relevant biological processes. Understanding the mechanisms that control this complex behavior is of great relevance for our understanding of developmental biological processes and many diseases. In this paper, we consider a self-propelled particle model for the movement of heterogeneous subpopulations of chemically interacting cells towards an imposed stable chemical gradient. Our simulations show explicitly how self-organisation of cell populations (which could lead to engulfment or complete cell segregation) can arise from the heterogeneity of chemotactic responses alone. This new result complements current theoretical and experimental studies that emphasise the role of differential cell-cell adhesion on self-organisation and spatial structure of cellular aggregates. We also investigate how the speed of individual cell aggregations increases with the chemotactic sensitivity of the cells, and decreases with the number of cells inside the aggregates

Implicit and explicit memory for spatial information in Alzheimer's disease.

Science.gov (United States)

Kessels, R P C; Feijen, J; Postma, A

2005-01-01

There is abundant evidence that memory impairment in dementia in patients with Alzheimer's disease (AD) is related to explicit, conscious forms of memory, whereas implicit, unconscious forms of memory function remain relatively intact or are less severely affected. Only a few studies have been performed on spatial memory function in AD, showing that AD patients' explicit spatial memory is impaired, possibly related to hippocampal dysfunction. However, studies on implicit spatial memory in AD are lacking. The current study set out to investigate implicit and explicit spatial memory in AD patients (n=18) using an ecologically valid computer task, in which participants had to remember the locations of various objects in common rooms. The contribution of implicit and explicit memory functions was estimated by means of the process dissociation procedure. The results show that explicit spatial memory is impaired in AD patients compared with a control group (n=21). However, no group difference was found on implicit spatial function. This indicates that spared implicit memory in AD extends to the spatial domain, while the explicit spatial memory function deteriorates. Clinically, this finding might be relevant, in that an intact implicit memory function might be helpful in overcoming problems in explicit processing. Copyright (c) 2005 S. Karger AG, Basel.

Explicit strong stability preserving multistep Runge–Kutta methods

KAUST Repository

Bresten, Christopher; Gottlieb, Sigal; Grant, Zachary; Higgs, Daniel; Ketcheson, David I.; Né meth, Adrian

2015-01-01

High-order spatial discretizations of hyperbolic PDEs are often designed to have strong stability properties, such as monotonicity. We study explicit multistep Runge-Kutta strong stability preserving (SSP) time integration methods for use with such discretizations. We prove an upper bound on the SSP coefficient of explicit multistep Runge-Kutta methods of order two and above. Numerical optimization is used to find optimized explicit methods of up to five steps, eight stages, and tenth order. These methods are tested on the linear advection and nonlinear Buckley-Leverett equations, and the results for the observed total variation diminishing and/or positivity preserving time-step are presented.

Explicit strong stability preserving multistep Runge–Kutta methods

KAUST Repository

Bresten, Christopher

2015-10-15

High-order spatial discretizations of hyperbolic PDEs are often designed to have strong stability properties, such as monotonicity. We study explicit multistep Runge-Kutta strong stability preserving (SSP) time integration methods for use with such discretizations. We prove an upper bound on the SSP coefficient of explicit multistep Runge-Kutta methods of order two and above. Numerical optimization is used to find optimized explicit methods of up to five steps, eight stages, and tenth order. These methods are tested on the linear advection and nonlinear Buckley-Leverett equations, and the results for the observed total variation diminishing and/or positivity preserving time-step are presented.

A kinetic model for the stability of spent fuel matrix under oxic conditions

International Nuclear Information System (INIS)

Bruno, J.; Cera, E.; Duro, L.; Eriksen, T.E.

1996-01-01

A kinetic model for the UO 2 -spent fuel dissolution has been developed by integrating all the fundamental and experimental evidence about the redox buffer capacity of the UO 2 matrix itself within the methodological framework of heterogeneous redox reactions and dissolution kinetics. The purpose of the model is to define the geochemical stability of the spent fuel matrix and its resistance to internal and external disturbances. The model has been built in basis the reductive capacity (RDC) of the spent fuel/water system. A sensitivity analysis has been performed in order to identify the main parameters that affect the RDC of the system, the oxidant consumption and the radionuclide release. The number of surface co-ordination sites, the surface area to volume ratio, the kinetics of oxidants generation by radiolysis and the kinetics of oxidative dissolution of UO 2 , have been found to be the main parameters that can affect the reductive capacity of the spent fuel matrix. The model has been checked against some selected UO 2 and spent fuel dissolution data, performed under oxidizing conditions. The results are quite encouraging. (orig.)

A kinetic approach to some quasi-linear laws of macroeconomics

Science.gov (United States)

Gligor, M.; Ignat, M.

2002-11-01

Some previous works have presented the data on wealth and income distributions in developed countries and have found that the great majority of population is described by an exponential distribution, which results in idea that the kinetic approach could be adequate to describe this empirical evidence. The aim of our paper is to extend this framework by developing a systematic kinetic approach of the socio-economic systems and to explain how linear laws, modelling correlations between macroeconomic variables, may arise in this context. Firstly we construct the Boltzmann kinetic equation for an idealised system composed by many individuals (workers, officers, business men, etc.), each of them getting a certain income and spending money for their needs. To each individual a certain time variable amount of money is associated this meaning him/her phase space coordinate. In this way the exponential distribution of money in a closed economy is explicitly found. The extension of this result, including states near the equilibrium, give us the possibility to take into account the regular increase of the total amount of money, according to the modern economic theories. The Kubo-Green-Onsager linear response theory leads us to a set of linear equations between some macroeconomic variables. Finally, the validity of such laws is discussed in relation with the time reversal symmetry and is tested empirically using some macroeconomic time series.

Heterogeneity of critical systems as the main factor determining their radiostability

International Nuclear Information System (INIS)

Gudkov, I.N.

1984-01-01

It is shown that meristem can be considered as a convenient object for investigating regularities in the propagation kinetics of cells of critical systems and mechanisms of its regulation. Critical organs are rather perfect heterogeneous systems of automatic control where processes of their propagation and functional activity occur under strict control of spectral regulation systems to provide permanent composition and amount of cells. These systems influence purposeful cell alterations when they pass separate stages of the cell cycle. They provide the formation of funds of reserve cells and reliability of functioning of these highely sensitive organism tissues

Experimental study of an isochorically heated heterogeneous interface. A progress report

Energy Technology Data Exchange (ETDEWEB)

Fernandez, Juan Carlos [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2015-08-20

Outline of the presentation: Studying possible mix / interface motion between heterogeneous low/high Z interfaces driven by 2-fluid or kinetic plasma effects (Heated to few eV, Sharp (sub µm) interface); Isochoric heating to initialize interface done with Al quasimonoenergetic ion beams on Trident; Have measured isochoric heating in individual materials intended for compound targets; Fielded experiments on Trident to measure interface motion (Gold-diamond, tin-aluminium); Measured heated-sample temperature with streaked optical pyrometry (SOP) (UT Austin led (research contract), SOP tests → heating uniformity Vs thickness on Al foils. Results are being analyzed.

A hybrid multiscale kinetic Monte Carlo method for simulation of copper electrodeposition

International Nuclear Information System (INIS)

Zheng Zheming; Stephens, Ryan M.; Braatz, Richard D.; Alkire, Richard C.; Petzold, Linda R.

2008-01-01

A hybrid multiscale kinetic Monte Carlo (HMKMC) method for speeding up the simulation of copper electrodeposition is presented. The fast diffusion events are simulated deterministically with a heterogeneous diffusion model which considers site-blocking effects of additives. Chemical reactions are simulated by an accelerated (tau-leaping) method for discrete stochastic simulation which adaptively selects exact discrete stochastic simulation for the appropriate reaction whenever that is necessary. The HMKMC method is seen to be accurate and highly efficient

Random geometry capability in RMC code for explicit analysis of polytype particle/pebble and applications to HTR-10 benchmark

International Nuclear Information System (INIS)

Liu, Shichang; Li, Zeguang; Wang, Kan; Cheng, Quan; She, Ding

2018-01-01

Highlights: •A new random geometry was developed in RMC for mixed and polytype particle/pebble. •This capability was applied to the full core calculations of HTR-10 benchmark. •Reactivity, temperature coefficient and control rod worth of HTR-10 were compared. •This method can explicitly model different packing fraction of different pebbles. •Monte Carlo code with this method can simulate polytype particle/pebble type reactor. -- Abstract: With the increasing demands of high fidelity neutronics analysis and the development of computer technology, Monte Carlo method is becoming more and more attractive in accurate simulation of pebble bed High Temperature gas-cooled Reactor (HTR), owing to its advantages of the flexible geometry modeling and the use of continuous-energy nuclear cross sections. For the double-heterogeneous geometry of pebble bed, traditional Monte Carlo codes can treat it by explicit geometry description. However, packing methods such as Random Sequential Addition (RSA) can only produce a sphere packing up to 38% volume packing fraction, while Discrete Element Method (DEM) is troublesome and also time consuming. Moreover, traditional Monte Carlo codes are difficult and inconvenient to simulate the mixed and polytype particles or pebbles. A new random geometry method was developed in Monte Carlo code RMC to simulate the particle transport in polytype particle/pebble in double heterogeneous geometry systems. This method was verified by some test cases, and applied to the full core calculations of HTR-10 benchmark. The reactivity, temperature coefficient and control rod worth of HTR-10 were compared for full core and initial core in helium and air atmosphere respectively, and the results agree well with the benchmark results and experimental results. This work would provide an efficient tool for the innovative design of pebble bed, prism HTRs and molten salt reactors with polytype particles or pebbles using Monte Carlo method.

Inertial Effects on Flow and Transport in Heterogeneous Porous Media.

Science.gov (United States)

Nissan, Alon; Berkowitz, Brian

2018-02-02

We investigate the effects of high fluid velocities on flow and tracer transport in heterogeneous porous media. We simulate fluid flow and advective transport through two-dimensional pore-scale matrices with varying structural complexity. As the Reynolds number increases, the flow regime transitions from linear to nonlinear; this behavior is controlled by the medium structure, where higher complexity amplifies inertial effects. The result is, nonintuitively, increased homogenization of the flow field, which leads in the context of conservative chemical transport to less anomalous behavior. We quantify the transport patterns via a continuous time random walk, using the spatial distribution of the kinetic energy within the fluid as a characteristic measure.

The Ms. Stereotype Revisited: Implicit and Explicit Facets

Science.gov (United States)

Malcolmson, Kelly A.; Sinclair, Lisa

2007-01-01

Implicit and explicit stereotypes toward the title Ms. were examined. Participants read a short description of a target person whose title of address varied (Ms., Mrs., Miss, Mr.). They then rated the person on agentic and communal traits and completed an Implicit Association Test. Replicating earlier research (Dion, 1987), at an explicit level,…

Modelling Preference Heterogeneity for Theatre Tickets

DEFF Research Database (Denmark)

Baldin, Andrea; Bille, Trine

This paper analyzes the behavioural choice for theatre tickets using a rich dataset for 2010-2013 from the sale system of the Royal Danish National Theatre. A consumer who decides to attend a theater production faces multiple sources of price variation that depends on: socio-economic characterist......This paper analyzes the behavioural choice for theatre tickets using a rich dataset for 2010-2013 from the sale system of the Royal Danish National Theatre. A consumer who decides to attend a theater production faces multiple sources of price variation that depends on: socio......-economic characteristics, quality of the seat, day of the performance and timing of purchase. Except for the first case, factors of price differentiation involves a choice by the consumer among different ticket alternatives. Two modelling approaches, namely multinomial logit (with socio-demographic characteristics......) and latent class are proposed in order to model ticket purchase behaviour. These models allow us explicitly to take into account consumers' preference heterogeneity with respect to the attributes associated to each ticket alternative In addition, the distribution of the willingness-to-pay (WTP) of choice...

Kinetics and mechanism of heterogeneous oxidation of sulfur dioxide by ozone on surface of calcium carbonate

Directory of Open Access Journals (Sweden)

L. Li

2006-01-01

Full Text Available Sulfate particles play a key role in the air quality and the global climate, but the heterogeneous formation mechanism of sulfates on surfaces of atmospheric particles is not well established. Carbonates, which act as a reactive component in mineral dust due to their special chemical properties, may contribute significantly to the sulfate formation by heterogeneous processes. This paper presents a study on the oxidation of SO2 by O3 on CaCO3 particles. Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS, the formation of sulfite and sulfate on the surface was identified, and the roles of O3 and water in oxidation processes were determined. The results showed that in the presence of O3, SO2can be oxidized to sulfate on the surface of CaCO3 particles. The reaction is first order in SO2 and zero order in O3. The reactive uptake coefficient for SO2 [(0.6–9.8×1014 molecule cm-3] oxidation by O3 [(1.2–12×1014 molecule cm-3] was determined to be (1.4±0.3×10-7 using the BET area as the reactive area and (7.7±1.6×10-4 using the geometric area. A two-stage mechanism that involves adsorption of SO2 followed by O3 oxidation is proposed and the adsorption of SO2 on the CaCO3 surface is the rate-determining step. The proposed mechanism can well explain the experiment results. The atmospheric implications were explored based on a box model calculation. It was found that the heterogeneous reaction might be an important pathway for sulfate formation in the atmosphere.

Non-kinetic capabilities: complementing the kinetic prevalence to targeting

OpenAIRE

Ducheine, P.

2014-01-01

Targeting is used in military doctrine to describe a military operational way, using (military) means to influence a target (or addressee) in order to achieve designated political and/or military goals. The four factors italicized are used to analyse non-kinetic targeting, complementing our knowledge and understanding of the kinetic prevalence. Paradoxically, non-kinetic targeting is not recognized as a separate concept: kinetic and non-kinetic are intertwined facets of targeting. Kinetic tar...

Not explicit but implicit memory is influenced by individual perception style

OpenAIRE

Hine, Kyoko; Tsushima, Yoshiaki

2018-01-01

Not only explicit but also implicit memory has considerable influence on our daily life. However, it is still unclear whether explicit and implicit memories are sensitive to individual differences. Here, we investigated how individual perception style (global or local) correlates with implicit and explicit memory. As a result, we found that not explicit but implicit memory was affected by the perception style: local perception style people more greatly used implicit memory than global percept...

Cellular Kinetics of Perivascular MSC Precursors

Directory of Open Access Journals (Sweden)

William C. W. Chen

2013-01-01

Full Text Available Mesenchymal stem/stromal cells (MSCs and MSC-like multipotent stem/progenitor cells have been widely investigated for regenerative medicine and deemed promising in clinical applications. In order to further improve MSC-based stem cell therapeutics, it is important to understand the cellular kinetics and functional roles of MSCs in the dynamic regenerative processes. However, due to the heterogeneous nature of typical MSC cultures, their native identity and anatomical localization in the body have remained unclear, making it difficult to decipher the existence of distinct cell subsets within the MSC entity. Recent studies have shown that several blood-vessel-derived precursor cell populations, purified by flow cytometry from multiple human organs, give rise to bona fide MSCs, suggesting that the vasculature serves as a systemic reservoir of MSC-like stem/progenitor cells. Using individually purified MSC-like precursor cell subsets, we and other researchers have been able to investigate the differential phenotypes and regenerative capacities of these contributing cellular constituents in the MSC pool. In this review, we will discuss the identification and characterization of perivascular MSC precursors, including pericytes and adventitial cells, and focus on their cellular kinetics: cell adhesion, migration, engraftment, homing, and intercellular cross-talk during tissue repair and regeneration.

Influence of radioactivity on surface charging and aggregation kinetics of particles in the atmosphere.

Science.gov (United States)

Kim, Yong-Ha; Yiacoumi, Sotira; Lee, Ida; McFarlane, Joanna; Tsouris, Costas

2014-01-01

Radioactivity can influence surface interactions, but its effects on particle aggregation kinetics have not been included in transport modeling of radioactive particles. In this research, experimental and theoretical studies have been performed to investigate the influence of radioactivity on surface charging and aggregation kinetics of radioactive particles in the atmosphere. Radioactivity-induced charging mechanisms have been investigated at the microscopic level, and heterogeneous surface potential caused by radioactivity is reported. The radioactivity-induced surface charging is highly influenced by several parameters, such as rate and type of radioactive decay. A population balance model, including interparticle forces, has been employed to study the effects of radioactivity on particle aggregation kinetics in air. It has been found that radioactivity can hinder aggregation of particles because of similar surface charging caused by the decay process. Experimental and theoretical studies provide useful insights into the understanding of transport characteristics of radioactive particles emitted from severe nuclear events, such as the recent accident of Fukushima or deliberate explosions of radiological devices.

Kinetics and optimization on discoloration of dyeing wastewater by schorl-catalyzed fenton-like reaction

Directory of Open Access Journals (Sweden)

Xu Huan-Yan

2014-01-01

Full Text Available Kinetics and optimization on the discoloration of an active commercial dye, Argazol Blue BFBR (ABB by heterogeneous Fenton-like reaction catalyzed by natural schorl were investigated in this study. Kinetic investigations revealed that the first-order kinetic model was more favorable to describe the discoloration of ABB at different reaction conditions than the second-order and Behnajady-Modirshahla-Ghanbery models. The relationship between the reaction rate constant k and reaction temperature T followed the Arrhenius equation, with the apparent activation energy Ea of 51.31kJ•mol-1. The central composite design under the response surface methodology was employed for the experimental design and optimization of the ABB discoloration process. The significance of a second order polynomial model for predicting the optimal values of ABB discoloration was evaluated by the analysis of variance and 3D response surface plots for the interactions between two variables were constructed. Then, the optimum conditions were determined.

High-temperature dehydration of talc: a kinetics study using in situ X-ray powder diffraction

Science.gov (United States)

Wang, Duojun; Yi, Li; Huang, Bojin; Liu, Chuanjiang

2015-06-01

High-temperature in situ X-ray powder diffraction patterns were used to study the dehydration kinetics of natural talc with a size of 10-15 µm. The talc was annealed from 1073 to 1223 K, and the variations in the characteristic peaks corresponding to talc with the time were recorded to determine the reaction progress. The decomposition of talc occurred, and peaks corresponding to talc and peaks corresponding to enstatite and quartz were observed. The enstatite and talc exhibited a topotactic relationship. The dehydration kinetics of talc was studied as a function of temperature between 1073 and 1223 K. The kinetics data could be modeled using an Avrami equation that considers nucleation and growth processes ? where n varies from 0.4 to 0.8. The rate constant (k) equation for the natural talc is ? The reaction mechanism for the dehydration of talc is a heterogeneous nucleation and growth mechanism.

Multi-level adaptive simulation of transient two-phase flow in heterogeneous porous media

KAUST Repository

Chueh, C.C.

2010-10-01

An implicit pressure and explicit saturation (IMPES) finite element method (FEM) incorporating a multi-level shock-type adaptive refinement technique is presented and applied to investigate transient two-phase flow in porous media. Local adaptive mesh refinement is implemented seamlessly with state-of-the-art artificial diffusion stabilization allowing simulations that achieve both high resolution and high accuracy. Two benchmark problems, modelling a single crack and a random porous medium, are used to demonstrate the robustness of the method and illustrate the capabilities of the adaptive refinement technique in resolving the saturation field and the complex interaction (transport phenomena) between two fluids in heterogeneous media. © 2010 Elsevier Ltd.

Multiscale Adapted Time-Splitting Technique for Nonisothermal Two-Phase Flow and Nanoparticles Transport in Heterogenous Porous Media

KAUST Repository

El-Amin, Mohamed F.

2017-05-05

This paper is devoted to study the problem of nonisothermal two-phase flow with nanoparticles transport in heterogenous porous media, numerically. For this purpose, we introduce a multiscale adapted time-splitting technique to simulate the problem under consideration. The mathematical model consists of equations of pressure, saturation, heat, nanoparticles concentration in the water–phase, deposited nanoparticles concentration on the pore–walls, and entrapped nanoparticles concentration in the pore–throats. We propose a multiscale time splitting IMplicit Pressure Explicit Saturation–IMplicit Temperature Concentration (IMPES-IMTC) scheme to solve the system of governing equations. The time step-size adaptation is achieved by satisfying the stability Courant–Friedrichs–Lewy (CFL<1) condition. Moreover, numerical test of a highly heterogeneous porous medium is provided and the water saturation, the temperature, the nanoparticles concentration, the deposited nanoparticles concentration, and the permeability are presented in graphs.

"Tacit Knowledge" versus "Explicit Knowledge"

DEFF Research Database (Denmark)

Sanchez, Ron

creators and carriers. By contrast, the explicit knowledge approach emphasizes processes for articulating knowledge held by individuals, the design of organizational approaches for creating new knowledge, and the development of systems (including information systems) to disseminate articulated knowledge...

Impact of Pathogen Population Heterogeneity and Stress-Resistant Variants on Food Safety.

Science.gov (United States)

Abee, T; Koomen, J; Metselaar, K I; Zwietering, M H; den Besten, H M W

2016-01-01

This review elucidates the state-of-the-art knowledge about pathogen population heterogeneity and describes the genotypic and phenotypic analyses of persister subpopulations and stress-resistant variants. The molecular mechanisms underlying the generation of persister phenotypes and genetic variants are identified. Zooming in on Listeria monocytogenes, a comparative whole-genome sequence analysis of wild types and variants that enabled the identification of mutations in variants obtained after a single exposure to lethal food-relevant stresses is described. Genotypic and phenotypic features are compared to those for persistent strains isolated from food processing environments. Inactivation kinetics, models used for fitting, and the concept of kinetic modeling-based schemes for detection of variants are presented. Furthermore, robustness and fitness parameters of L. monocytogenes wild type and variants are used to model their performance in food chains. Finally, the impact of stress-resistant variants and persistence in food processing environments on food safety is discussed.

Quasi-linear landau kinetic equations for magnetized plasmas: compact propagator formalism, rotation matrices and interaction

International Nuclear Information System (INIS)

Misguich, J.H.

2004-04-01

As a first step toward a nonlinear renormalized description of turbulence phenomena in magnetized plasmas, the lowest order quasi-linear description is presented here from a unified point of view for collisionless as well as for collisional plasmas in a constant magnetic field. The quasi-linear approximation is applied to a general kinetic equation obtained previously from the Klimontovich exact equation, by means of a generalised Dupree-Weinstock method. The so-obtained quasi-linear description of electromagnetic turbulence in a magnetoplasma is applied to three separate physical cases: -) weak electrostatic turbulence, -) purely magnetic field fluctuations (the classical quasi-linear results are obtained for cosmic ray diffusion in the 'slab model' of magnetostatic turbulence in the solar wind), and -) collisional kinetic equations of magnetized plasmas. This mathematical technique has allowed us to derive basic kinetic equations for turbulent plasmas and collisional plasmas, respectively in the quasi-linear and Landau approximation. In presence of a magnetic field we have shown that the systematic use of rotation matrices describing the helical particle motion allows for a much more compact derivation than usually performed. Moreover, from the formal analogy between turbulent and collisional plasmas, the results derived here in detail for the turbulent plasmas, can be immediately translated to obtain explicit results for the Landau kinetic equation

Quasi-linear landau kinetic equations for magnetized plasmas: compact propagator formalism, rotation matrices and interaction

Energy Technology Data Exchange (ETDEWEB)

Misguich, J.H

2004-04-01

As a first step toward a nonlinear renormalized description of turbulence phenomena in magnetized plasmas, the lowest order quasi-linear description is presented here from a unified point of view for collisionless as well as for collisional plasmas in a constant magnetic field. The quasi-linear approximation is applied to a general kinetic equation obtained previously from the Klimontovich exact equation, by means of a generalised Dupree-Weinstock method. The so-obtained quasi-linear description of electromagnetic turbulence in a magnetoplasma is applied to three separate physical cases: -) weak electrostatic turbulence, -) purely magnetic field fluctuations (the classical quasi-linear results are obtained for cosmic ray diffusion in the 'slab model' of magnetostatic turbulence in the solar wind), and -) collisional kinetic equations of magnetized plasmas. This mathematical technique has allowed us to derive basic kinetic equations for turbulent plasmas and collisional plasmas, respectively in the quasi-linear and Landau approximation. In presence of a magnetic field we have shown that the systematic use of rotation matrices describing the helical particle motion allows for a much more compact derivation than usually performed. Moreover, from the formal analogy between turbulent and collisional plasmas, the results derived here in detail for the turbulent plasmas, can be immediately translated to obtain explicit results for the Landau kinetic equation.

A Heterogeneous Wireless Identification Network for the Localization of Animals Based on Stochastic Movements

Directory of Open Access Journals (Sweden)

Ivana Raos

2009-05-01

Full Text Available The improvement in the transmission range in wireless applications without the use of batteries remains a significant challenge in identification applications. In this paper, we describe a heterogeneous wireless identification network mostly powered by kinetic energy, which allows the localization of animals in open environments. The system relies on radio communications and a global positioning system. It is made up of primary and secondary nodes. Secondary nodes are kinetic-powered and take advantage of animal movements to activate the node and transmit a specific identifier, reducing the number of batteries of the system. Primary nodes are battery-powered and gather secondary-node transmitted information to provide it, along with position and time data, to a final base station in charge of the animal monitoring. The system allows tracking based on contextual information obtained from statistical data.

Investigations on the heterogenous catalytic hydrogenation using isotope effect and gamma- and neutron radiation

Energy Technology Data Exchange (ETDEWEB)

Kudlacek, R; Cabicar, J [Ceske Vysoke Uceni Technicke, Prague (Czechoslovakia). Katedra Jaderne Chemie

1976-01-01

The kinetic and solvent isotope effects during the maleic acid heterogeneous catalytic hydrogenation and deuteration in light and heavy water have been studied. Also the effect of the gamma and neutron irradiation on the Ni-ZnO catalysts (with various ratios of components) on the reaction kinetics and mechanism has been measured, as well as the effect of pH on the adsorption behaviour of maleic acid and the temperature dependence of the reaction rate. Existence of different adsorption centers for hydrogen and maleic acid could be deduced from these experiments. A reaction mechanism based on the two-dimensional diffusion of components in the surface is proposed. The catalyst is formed from Ni and ZnO-microspheres. Hydrogen is bound to nickel and maleic acid is adsorbed on the ZnO-microspheres. The reaction takes place on the boundary layers of these microspheres.

Age-related variations of visuo-motor adaptation beyond explicit knowledge

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Herbert eHeuer

2014-07-01

Full Text Available Visuo-motor adaptation suffers at older working age. The age-related decline of behavioural adjustments is accompanied by reduced explicit knowledge of the visuo-motor transformation. It disappears when explicit knowledge is kept constant across the age range, except for particularly high levels of explicit knowledge. According to these findings, at older adult age both the acquisition of explicit knowledge and its application for strategic corrections become poorer. Recently it has been posited that visuo-motor adaptation can involve model-free reinforcement mechanisms of learning in addition to model-based mechanisms. We tested whether age-related declines of reinforcement learning can also contribute to the age-related changes of visuo-motor adaptation. Therefore we enhanced the contribution of reinforcement learning to visuo-motor adaptation by way of introducing salient markers of success and failure during practice. With such modified practice conditions, there were residual age-related variations of behavioural adjustments at all levels of explicit knowledge, even when explicit knowledge was absent. The residual age-related variations were observed for practiced target directions only, but not for new target directions. These findings are consistent with an age-related decline of model-free reinforcement learning as a third factor in the age-related decline of visuo-motor adaptation. Under practice conditions, which spur model-free reward-based learning, this factor adds to the decrements of the acquisition of explicit knowledge and its use for strategic corrections.

Modeling the effects of space structure and combination therapies on phenotypic heterogeneity and drug resistance in solid tumors.

Science.gov (United States)

Lorz, Alexander; Lorenzi, Tommaso; Clairambault, Jean; Escargueil, Alexandre; Perthame, Benoît

2015-01-01

Histopathological evidence supports the idea that the emergence of phenotypic heterogeneity and resistance to cytotoxic drugs can be considered as a process of selection in tumor cell populations. In this framework, can we explain intra-tumor heterogeneity in terms of selection driven by the local cell environment? Can we overcome the emergence of resistance and favor the eradication of cancer cells by using combination therapies? Bearing these questions in mind, we develop a model describing cell dynamics inside a tumor spheroid under the effects of cytotoxic and cytostatic drugs. Cancer cells are assumed to be structured as a population by two real variables standing for space position and the expression level of a phenotype of resistance to cytotoxic drugs. The model takes explicitly into account the dynamics of resources and anticancer drugs as well as their interactions with the cell population under treatment. We analyze the effects of space structure and combination therapies on phenotypic heterogeneity and chemotherapeutic resistance. Furthermore, we study the efficacy of combined therapy protocols based on constant infusion and bang-bang delivery of cytotoxic and cytostatic drugs.

Dissociation between implicit and explicit expectancies of cannabis use in adolescence.

Science.gov (United States)

Schmits, Emilie; Maurage, Pierre; Thirion, Romain; Quertemont, Etienne

2015-12-30

Cannabis is one of the most commonly drugs used by teenagers. Expectancies about its effects play a crucial role in cannabis consumption. Various tools have been used to assess expectancies, mainly self-report questionnaires measuring explicit expectancies, but implicit measures based on experimental tasks have also been developed, measuring implicit expectancies. The aim of this study was to simultaneously assess implicit/explicit expectancies related to cannabis among adolescent users and non-users. 130 teenagers attending school (55 girls) were enrolled (Age: M=16.40 years); 43.84% had never used cannabis ("non-users") and 56.16% had used cannabis ("users"). They completed self-report questionnaires evaluating cannabis use, cannabis-related problems, effect expectancies (explicit expectancies), alcohol use, social and trait anxiety, depression, as well as three Implicit Association Tests (IAT) assessing implicit expectancies. Adolescents manifested more implicit affective associations (relaxation, excitation, negative) than neutral ones regarding cannabis. These were not related to explicit expectancies. Cannabis users reported more implicit relaxation expectancies and less negative explicit expectancies than non-users. The frequency of use and related problems were positively associated with the explicit expectancies regarding relaxation and enhancement, and were negatively associated with negative explicit expectancies and negative implicit expectancies. Findings indicate that implicit and explicit expectancies play different roles in cannabis use by adolescents. The implications for experimentation and prevention are discussed. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Atomic-scale structural signature of dynamic heterogeneities in metallic liquids

Science.gov (United States)

Pasturel, Alain; Jakse, Noel

2017-08-01

With sufficiently high cooling rates, liquids will cross their equilibrium melting temperatures and can be maintained in a metastable undercooled state before solidifying. Studies of undercooled liquids reveal several intriguing dynamic phenomena and because explicit connections between liquid structure and liquids dynamics are difficult to identify, it remains a major challenge to capture the underlying structural link to these phenomena. Ab initio molecular dynamics (AIMD) simulations are yet especially powerful in providing atomic-scale details otherwise not accessible in experiments. Through the AIMD-based study of Cr additions in Al-based liquids, we evidence for the first time a close relationship between the decoupling of component diffusion and the emergence of dynamic heterogeneities in the undercooling regime. In addition, we demonstrate that the origin of both phenomena is related to a structural heterogeneity caused by a strong interplay between chemical short-range order (CSRO) and local fivefold topology (ISRO) at the short-range scale in the liquid phase that develops into an icosahedral-based medium-range order (IMRO) upon undercooling. Finally, our findings reveal that this structural signature is also captured in the temperature dependence of partial pair-distribution functions which opens up the route to more elaborated experimental studies.

The time course of explicit and implicit categorization.

Science.gov (United States)

Smith, J David; Zakrzewski, Alexandria C; Herberger, Eric R; Boomer, Joseph; Roeder, Jessica L; Ashby, F Gregory; Church, Barbara A

2015-10-01

Contemporary theory in cognitive neuroscience distinguishes, among the processes and utilities that serve categorization, explicit and implicit systems of category learning that learn, respectively, category rules by active hypothesis testing or adaptive behaviors by association and reinforcement. Little is known about the time course of categorization within these systems. Accordingly, the present experiments contrasted tasks that fostered explicit categorization (because they had a one-dimensional, rule-based solution) or implicit categorization (because they had a two-dimensional, information-integration solution). In Experiment 1, participants learned categories under unspeeded or speeded conditions. In Experiment 2, they applied previously trained category knowledge under unspeeded or speeded conditions. Speeded conditions selectively impaired implicit category learning and implicit mature categorization. These results illuminate the processing dynamics of explicit/implicit categorization.

The link between response time and preference, variance and processing heterogeneity in stated choice experiments

DEFF Research Database (Denmark)

Campbell, Danny; Mørkbak, Morten Raun; Olsen, Søren Bøye

2018-01-01

In this article we utilize the time respondents require to answer a self-administered online stated preference survey. While the effects of response time have been previously explored, this article proposes a different approach that explicitly recognizes the highly equivocal relationship between ...... between response time and utility coefficients, error variance and processing strategies. Our results thus emphasize the importance of considering response time when modeling stated choice data....... response time and respondents' choices. In particular, we attempt to disentangle preference, variance and processing heterogeneity and explore whether response time helps to explain these three types of heterogeneity. For this, we divide the data (ordered by response time) into approximately equal......-sized subsets, and then derive different class membership probabilities for each subset. We estimate a large number of candidate models and subsequently conduct a frequentist-based model averaging approach using information criteria to derive weights of evidence for each model. Our findings show a clear link...

Hydrodynamic limits of kinetic equations for polyatomic and reactive gases

Directory of Open Access Journals (Sweden)

Bisi M.

2017-03-01

Full Text Available Starting from a kinetic BGK-model for a rarefied polyatomic gas, based on a molecular structure of discrete internal energy levels, an asymptotic Chapman-Enskog procedure is developed in the asymptotic continuum limit in order to derive consistent fluid-dynamic equations for macroscopic fields at Navier-Stokes level. In this way, the model allows to treat the gas as a mixture of mono-atomic species. Explicit expressions are given not only for dynamical pressure, but also for shear stress, diffusion velocities, and heat flux. The analysis is shown to deal properly also with a mixture of reactive gases, endowed for simplicity with translational degrees of freedom only, in which frame analogous results can be achieved.

Adaptive jump barrier height in Monte Carlo configuration kinetics.

Energy Technology Data Exchange (ETDEWEB)

Leitner, Martin; Pfeiler, Wolfgang; Pueschl, Wolfgang [Dynamics of Condensed Systems, Faculty of Physics, University of Vienna, Strudlhofgasse 4, A-1090 Wien (Austria); Vogtenhuber, Doris [Computational Materials Science, Faculty of Physics, University of Vienna, Sensengasse 8, A-1090 Wien (Austria)

2008-07-01

In usual MC simulations of configuration kinetics atom jump probabilities are calculated from energies of the initial and/or final bound states of the moving atom, leaving aside the exact energy of the intermediate saddle point state. This energy may however be critically influenced by the local atomic environment. We propose a strategy to explicitly take account of this influence. The basis is ab initio calculation of representative jump paths in the framework of the nudged elastic band method. From these results, an influence function is derived which modifies the energy of the saddle point and therefore the effective jump barrier height as calculated from the initial and final states according to a cluster expansion scheme. The overall effect is demonstrated on the NiAl system.

Kinetics and mechanical stability of the fibril state control fibril formation time of polypeptide chains: A computational study

Science.gov (United States)

Kouza, Maksim; Co, Nguyen Truong; Li, Mai Suan; Kmiecik, Sebastian; Kolinski, Andrzej; Kloczkowski, Andrzej; Buhimschi, Irina Alexandra

2018-06-01

Fibril formation resulting from protein misfolding and aggregation is a hallmark of several neurodegenerative diseases such as Alzheimer's and Parkinson's diseases. Despite much progress in the understanding of the protein aggregation process, the factors governing fibril formation rates and fibril stability have not been fully understood. Using lattice models, we have shown that the fibril formation time is controlled by the kinetic stability of the fibril state but not by its energy. Having performed all-atom explicit solvent molecular dynamics simulations with the GROMOS43a1 force field for full-length amyloid beta peptides Aβ40 and Aβ42 and truncated peptides, we demonstrated that kinetic stability can be accessed via mechanical stability in such a way that the higher the mechanical stability or the kinetic stability, the faster the fibril formation. This result opens up a new way for predicting fibril formation rates based on mechanical stability that may be easily estimated by steered molecular dynamics.

A mixed implicit/explicit procedure for soil-structure interaction

International Nuclear Information System (INIS)

Kunar, R.R.

1982-01-01

This paper describes an efficient method for the solution of dynamic soil-structure interaction problems. The method which combines implicit and explicit time integration procedures is ideally suited to problems in which the structure is considered linear and the soil non-linear. The equations relating to the linear structures are integrated using an unconditionally stable implicit scheme while the non-linear soil is treated explicitly. The explicit method is ideally suited to non-linear calculations as there is no need for iterative techniques. The structural equations can also be integrated explicitly, but this generally requires a time step that is much smaller than that for the soil. By using an unconditionally stable implicit algorithm for the structure, the complete analysis can be performed using the time step for the soil. The proposed procedure leads to economical solutions with the soil non-linearities handled accurately and efficiently. (orig.)

The effect of encoding duration on implicit and explicit eyewitness memory.

Science.gov (United States)

Carol, Rolando N; Schreiber Compo, Nadja

2018-05-01

The present study investigated the effect of encoding duration on implicit and explicit eyewitness memory. Participants (N = 227) viewed a mock crime (brief, 15-s vs. long, 30-s vs. irrelevant/control) and were then tested with both implicit and explicit memory prompts or with explicit memory prompts only. Brief-encoding participants revealed more critical details implicitly than long-encoding or control participants. Further, the number and percentage of accurate details recalled explicitly were higher for long-encoding than for brief-encoding participants. Implicit testing prior to explicit recall-as compared to completing a filler task-was detrimental to free recall performance. Interestingly, brief-encoding participants were significantly more likely to remember critical details implicitly but not explicitly than long-encoding participants. This is the first study to investigate implicit eyewitness memory for a multimodal mock crime. Findings are theoretically consistent with prior research on cognition while expanding upon the extant eyewitness memory and investigative interviewing literature. Published by Elsevier Inc.

Explicit symplectic algorithms based on generating functions for charged particle dynamics

Science.gov (United States)

Zhang, Ruili; Qin, Hong; Tang, Yifa; Liu, Jian; He, Yang; Xiao, Jianyuan

2016-07-01

Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H (x ,p ) =pif (x ) or H (x ,p ) =xig (p ) . Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency.

Implicit and explicit processes in social cognition

DEFF Research Database (Denmark)

Frith, Christopher; Frith, Uta

2008-01-01

In this review we consider research on social cognition in which implicit processes can be compared and contrasted with explicit, conscious processes. In each case, their function is distinct, sometimes complementary and sometimes oppositional. We argue that implicit processes in social interaction...... are automatic and are often opposed to conscious strategies. While we are aware of explicit processes in social interaction, we cannot always use them to override implicit processes. Many studies show that implicit processes facilitate the sharing of knowledge, feelings, and actions, and hence, perhaps...

Extrapolated stabilized explicit Runge-Kutta methods

Science.gov (United States)

Martín-Vaquero, J.; Kleefeld, B.

2016-12-01

Extrapolated Stabilized Explicit Runge-Kutta methods (ESERK) are proposed to solve multi-dimensional nonlinear partial differential equations (PDEs). In such methods it is necessary to evaluate the function nt times per step, but the stability region is O (nt2). Hence, the computational cost is O (nt) times lower than for a traditional explicit algorithm. In that way stiff problems can be integrated by the use of simple explicit evaluations in which case implicit methods usually had to be used. Therefore, they are especially well-suited for the method of lines (MOL) discretizations of parabolic nonlinear multi-dimensional PDEs. In this work, first s-stages first-order methods with extended stability along the negative real axis are obtained. They have slightly shorter stability regions than other traditional first-order stabilized explicit Runge-Kutta algorithms (also called Runge-Kutta-Chebyshev codes). Later, they are used to derive nt-stages second- and fourth-order schemes using Richardson extrapolation. The stability regions of these fourth-order codes include the interval [ - 0.01nt2, 0 ] (nt being the number of total functions evaluations), which are shorter than stability regions of ROCK4 methods, for example. However, the new algorithms neither suffer from propagation of errors (as other Runge-Kutta-Chebyshev codes as ROCK4 or DUMKA) nor internal instabilities. Additionally, many other types of higher-order (and also lower-order) methods can be obtained easily in a similar way. These methods also allow adaptation of the length step with no extra cost. Hence, the stability domain is adapted precisely to the spectrum of the problem at the current time of integration in an optimal way, i.e., with minimal number of additional stages. We compare the new techniques with other well-known algorithms with good results in very stiff diffusion or reaction-diffusion multi-dimensional nonlinear equations.

Toxico-kinetic, chemical and radiological toxicity of uranium on zebra fish (Danio rerio)

International Nuclear Information System (INIS)

Barillet, S.

2007-06-01

This thesis explores the toxico-kinetic and toxicological aspects of uranium in fish. Uranium, appears to be highly bio accumulated and bio concentrated in fish. It spreads all through the whole organism. Nevertheless, its distribution is heterogeneous (gills and liver being the main sites of accumulation).From a toxicological point of view, we notice perturbations of the antioxidant system (inhibitions of hepatic Sod, Cat and G Px activities; depletion of total GSH) and of the cholinergic system (inhibition/over-activation of brain AChE). Genotoxic effects also appear in red blood cells, hepatocytes and gonad cells. The kinetics of these biochemical perturbations depend on the radiological activity of uranium, responses appearing earlier with increasing delivered activity. Histological effects (differing in types depending on delivered radiological activity) are also observed (in gills and muscles). (author)

Not explicit but implicit memory is influenced by individual perception style.

Science.gov (United States)

Hine, Kyoko; Tsushima, Yoshiaki

2018-01-01

Not only explicit but also implicit memory has considerable influence on our daily life. However, it is still unclear whether explicit and implicit memories are sensitive to individual differences. Here, we investigated how individual perception style (global or local) correlates with implicit and explicit memory. As a result, we found that not explicit but implicit memory was affected by the perception style: local perception style people more greatly used implicit memory than global perception style people. These results help us to make the new effective application adapting to individual perception style and understand some clinical symptoms such as autistic spectrum disorder. Furthermore, this finding might give us new insight of memory involving consciousness and unconsciousness as well as relationship between implicit/explicit memory and individual perception style.

Implicit and explicit memory in survivors of chronic interpersonal violence.

Science.gov (United States)

Minshew, Reese; D'Andrea, Wendy

2015-01-01

We investigated the relationship of implicit and explicit memory to a range of symptoms in a sample of 27 women with exposure to chronic interpersonal violence (IPV). Participants viewed the first 3 letters ("stems") of trauma-related, general threat, and neutral words; valenced words were matched with neutral words with the same stem. Free recall and a word-stem completion task were used to test explicit and implicit memory, respectively. Participants exhibited increased implicit memory for trauma-related words as compared with both general threat words and neutral "match" words. They also showed increased explicit memory for both general threat and trauma-related words. Finally, although neither implicit nor explicit memory was correlated with PTSD symptoms, implicit memory for trauma-related words was significantly correlated with symptoms associated with ongoing IPV. Interpersonal sensitivity, hostility, and alexithymia were significantly correlated with implicit, but not explicit, memory for trauma words. Somatization, dissociation, and alexithymia were negatively correlated with explicit, but not implicit, memory for general-threat words. These findings suggest that memory processes in survivors of IPV are closely related to the symptom profile associated with complex trauma. Exploring memory processes in survivors of IPV may lend unique insight into the development and maintenance of the symptom profile associated with IPV. (c) 2015 APA, all rights reserved).

Generic Schemes for Single-Molecule Kinetics. 3: Self-Consistent Pathway Solutions for Nonrenewal Processes.

Science.gov (United States)

Piephoff, D Evan; Cao, Jianshu

2018-04-23

We recently developed a pathway analysis framework (paper 1) for describing single-molecule kinetics for renewal (i.e., memoryless) processes based on the decomposition of a kinetic scheme into generic structures. In our approach, waiting time distribution functions corresponding to such structures are expressed in terms of self-consistent pathway solutions and concatenated to form measurable probability distribution functions (PDFs), affording a simple way to decompose and recombine a network. Here, we extend this framework to nonrenewal processes, which involve correlations between events, and employ it to formulate waiting time PDFs, including the first-passage time PDF, for a general kinetic network model. Our technique does not require the assumption of Poissonian kinetics, permitting a more general kinetic description than the usual rate approach, with minimal topological restrictiveness. To demonstrate the usefulness of this technique, we provide explicit calculations for our general model, which we adapt to two generic schemes for single-enzyme turnover with conformational interconversion. For each generic scheme, wherein the intermediate state(s) need not undergo Poissonian decay, the functional dependence of the mean first-passage time on the concentration of an external substrate is analyzed. When conformational detailed balance is satisfied, the enzyme turnover rate (related to the mean first-passage time) reduces to the celebrated Michaelis-Menten functional form, consistent with our previous work involving a similar scheme with all rate processes, thereby establishing further generality to this intriguing result. Our framework affords a general and intuitive approach for evaluating measurable waiting time PDFs and their moments, making it a potentially useful kinetic tool for a wide variety of single-molecule processes.

Synthesis and Self-Assembly of Chiral Cylindrical Molecular Complexes: Functional Heterogeneous Liquid-Solid Materials Formed by Helicene Oligomers

Directory of Open Access Journals (Sweden)

Nozomi Saito

2018-01-01

Full Text Available Chiral cylindrical molecular complexes of homo- and hetero-double-helices derived from helicene oligomers self-assemble in solution, providing functional heterogeneous liquid-solid materials. Gels and liotropic liquid crystals are formed by fibril self-assembly in solution; molecular monolayers and fibril films are formed by self-assembly on solid surfaces; gels containing gold nanoparticles emit light; silica nanoparticles aggregate and adsorb double-helices. Notable dynamics appears during self-assembly, including multistep self-assembly, solid surface catalyzed double-helix formation, sigmoidal and stairwise kinetics, molecular recognition of nanoparticles, discontinuous self-assembly, materials clocking, chiral symmetry breaking and homogeneous-heterogeneous transitions. These phenomena are derived from strong intercomplex interactions of chiral cylindrical molecular complexes.

Effect of lattice-level adjoint-weighting on the kinetics parameters of CANDU reactors

International Nuclear Information System (INIS)

Nichita, Eleodor

2009-01-01

Space-time kinetics calculations for CANDU reactors are routinely performed using the Improved Quasistatic (IQS) method. The IQS method calculates kinetics parameters such as the effective delayed-neutron fraction and generation time using adjoint weighting. In the current implementation of IQS, the direct flux, as well as the adjoint, is calculated using a two-group cell-homogenized reactor model which is inadequate for capturing the effect of the softer energy spectrum of the delayed neutrons. Additionally, there may also be fine spatial effects that are lost because the intra-cell adjoint shape is ignored. The purpose of this work is to compare the kinetics parameters calculated using the two-group cell-homogenized model with those calculated using lattice-level fine-group heterogeneous adjoint weighting and to assess whether the differences are large enough to justify further work on incorporating lattice-level adjoint weighting into the IQS method. A second goal is to evaluate whether the use of a fine-group cell-homogenized lattice-level adjoint, such as is the current practice for Light Water Reactors (LWRs), is sufficient to capture the lattice effects in question. It is found that, for CANDU lattices, the generation time is almost unaffected by the type of adjoint used to calculate it, but that the effective delayed-neutron fraction is affected by the type of adjoint used. The effective delayed-neutron fraction calculated using the two-group cell-homogenized adjoint is 5.2% higher than the 'best' effective delayed-neutron fraction value obtained using the detailed lattice-level fine-group heterogeneous adjoint. The effective delayed-neutron fraction calculated using the fine-group cell-homogenized adjoint is only 1.7% higher than the 'best' effective delayed-neutron fraction value but is still not equal to it. This situation is different from that encountered in LWRs where weighting by a fine-group cell-homogenized adjoint is sufficient to calculate the

Counting Cats: Spatially Explicit Population Estimates of Cheetah (Acinonyx jubatus Using Unstructured Sampling Data.

Directory of Open Access Journals (Sweden)

Femke Broekhuis

Full Text Available Many ecological theories and species conservation programmes rely on accurate estimates of population density. Accurate density estimation, especially for species facing rapid declines, requires the application of rigorous field and analytical methods. However, obtaining accurate density estimates of carnivores can be challenging as carnivores naturally exist at relatively low densities and are often elusive and wide-ranging. In this study, we employ an unstructured spatial sampling field design along with a Bayesian sex-specific spatially explicit capture-recapture (SECR analysis, to provide the first rigorous population density estimates of cheetahs (Acinonyx jubatus in the Maasai Mara, Kenya. We estimate adult cheetah density to be between 1.28 ± 0.315 and 1.34 ± 0.337 individuals/100km2 across four candidate models specified in our analysis. Our spatially explicit approach revealed 'hotspots' of cheetah density, highlighting that cheetah are distributed heterogeneously across the landscape. The SECR models incorporated a movement range parameter which indicated that male cheetah moved four times as much as females, possibly because female movement was restricted by their reproductive status and/or the spatial distribution of prey. We show that SECR can be used for spatially unstructured data to successfully characterise the spatial distribution of a low density species and also estimate population density when sample size is small. Our sampling and modelling framework will help determine spatial and temporal variation in cheetah densities, providing a foundation for their conservation and management. Based on our results we encourage other researchers to adopt a similar approach in estimating densities of individually recognisable species.

Counting Cats: Spatially Explicit Population Estimates of Cheetah (Acinonyx jubatus) Using Unstructured Sampling Data.

Science.gov (United States)

Broekhuis, Femke; Gopalaswamy, Arjun M

2016-01-01

Many ecological theories and species conservation programmes rely on accurate estimates of population density. Accurate density estimation, especially for species facing rapid declines, requires the application of rigorous field and analytical methods. However, obtaining accurate density estimates of carnivores can be challenging as carnivores naturally exist at relatively low densities and are often elusive and wide-ranging. In this study, we employ an unstructured spatial sampling field design along with a Bayesian sex-specific spatially explicit capture-recapture (SECR) analysis, to provide the first rigorous population density estimates of cheetahs (Acinonyx jubatus) in the Maasai Mara, Kenya. We estimate adult cheetah density to be between 1.28 ± 0.315 and 1.34 ± 0.337 individuals/100km2 across four candidate models specified in our analysis. Our spatially explicit approach revealed 'hotspots' of cheetah density, highlighting that cheetah are distributed heterogeneously across the landscape. The SECR models incorporated a movement range parameter which indicated that male cheetah moved four times as much as females, possibly because female movement was restricted by their reproductive status and/or the spatial distribution of prey. We show that SECR can be used for spatially unstructured data to successfully characterise the spatial distribution of a low density species and also estimate population density when sample size is small. Our sampling and modelling framework will help determine spatial and temporal variation in cheetah densities, providing a foundation for their conservation and management. Based on our results we encourage other researchers to adopt a similar approach in estimating densities of individually recognisable species.

Biodiesel Production using Heterogeneous Catalyst in CSTR: Sensitivity Analysis and Optimization

Science.gov (United States)

Keong, L. S.; Patle, D. S.; Shukor, S. R.; Ahmad, Z.

2016-03-01

Biodiesel as a renewable fuel has emerged as a potential replacement for petroleum-based diesels. Heterogeneous catalyst has become the focus of researches in biodiesel production with the intention to overcome problems associated with homogeneous catalyzed processes. The simulation of heterogeneous catalyzed biodiesel production has not been thoroughly studied. Hence, a simulation of carbon-based solid acid catalyzed biodiesel production from waste oil with high FFA content (50 weight%) was developed in the present work to study the feasibility and potential of the simulated process. The simulated process produces biodiesel through simultaneous transesterification and esterification with the consideration of reaction kinetics. The developed simulation is feasible and capable to produce 2.81kmol/hr of FAME meeting the international standard (EN 14214). Yields of 68.61% and 97.19% are achieved for transesterification and esterification respectively. Sensitivity analyses of FFA composition in waste oil, methanol to oil ratio, reactor pressure and temperature towards FAME yield from both reactions were carried out. Optimization of reactor temperature was done to maximize FAME products.

Biodiesel Production using Heterogeneous Catalyst in CSTR: Sensitivity Analysis and Optimization

International Nuclear Information System (INIS)

Keong, L S; Shukor, S R; Ahmad, Z; Patle, D S

2016-01-01

Biodiesel as a renewable fuel has emerged as a potential replacement for petroleum-based diesels. Heterogeneous catalyst has become the focus of researches in biodiesel production with the intention to overcome problems associated with homogeneous catalyzed processes. The simulation of heterogeneous catalyzed biodiesel production has not been thoroughly studied. Hence, a simulation of carbon-based solid acid catalyzed biodiesel production from waste oil with high FFA content (50 weight%) was developed in the present work to study the feasibility and potential of the simulated process. The simulated process produces biodiesel through simultaneous transesterification and esterification with the consideration of reaction kinetics. The developed simulation is feasible and capable to produce 2.81 kmol/hr of FAME meeting the international standard (EN 14214). Yields of 68.61% and 97.19% are achieved for transesterification and esterification respectively. Sensitivity analyses of FFA composition in waste oil, methanol to oil ratio, reactor pressure and temperature towards FAME yield from both reactions were carried out. Optimization of reactor temperature was done to maximize FAME products. (paper)

Explicit Solutions for One-Dimensional Mean-Field Games

KAUST Repository

Prazeres, Mariana

2017-04-05

In this thesis, we consider stationary one-dimensional mean-field games (MFGs) with or without congestion. Our aim is to understand the qualitative features of these games through the analysis of explicit solutions. We are particularly interested in MFGs with a nonmonotonic behavior, which corresponds to situations where agents tend to aggregate. First, we derive the MFG equations from control theory. Then, we compute explicit solutions using the current formulation and examine their behavior. Finally, we represent the solutions and analyze the results. This thesis main contributions are the following: First, we develop the current method to solve MFG explicitly. Second, we analyze in detail non-monotonic MFGs and discover new phenomena: non-uniqueness, discontinuous solutions, empty regions and unhappiness traps. Finally, we address several regularization procedures and examine the stability of MFGs.

Moderators of the Relationship between Implicit and Explicit Evaluation

Science.gov (United States)

Nosek, Brian A.

2005-01-01

Automatic and controlled modes of evaluation sometimes provide conflicting reports of the quality of social objects. This paper presents evidence for four moderators of the relationship between automatic (implicit) and controlled (explicit) evaluations. Implicit and explicit preferences were measured for a variety of object pairs using a large sample. The average correlation was r = .36, and 52 of the 57 object pairs showed a significant positive correlation. Results of multilevel modeling analyses suggested that: (a) implicit and explicit preferences are related, (b) the relationship varies as a function of the objects assessed, and (c) at least four variables moderate the relationship – self-presentation, evaluative strength, dimensionality, and distinctiveness. The variables moderated implicit-explicit correspondence across individuals and accounted for much of the observed variation across content domains. The resulting model of the relationship between automatic and controlled evaluative processes is grounded in personal experience with the targets of evaluation. PMID:16316292

Verifying Real-Time Systems using Explicit-time Description Methods

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Hao Wang

2009-12-01

Full Text Available Timed model checking has been extensively researched in recent years. Many new formalisms with time extensions and tools based on them have been presented. On the other hand, Explicit-Time Description Methods aim to verify real-time systems with general untimed model checkers. Lamport presented an explicit-time description method using a clock-ticking process (Tick to simulate the passage of time together with a group of global variables for time requirements. This paper proposes a new explicit-time description method with no reliance on global variables. Instead, it uses rendezvous synchronization steps between the Tick process and each system process to simulate time. This new method achieves better modularity and facilitates usage of more complex timing constraints. The two explicit-time description methods are implemented in DIVINE, a well-known distributed-memory model checker. Preliminary experiment results show that our new method, with better modularity, is comparable to Lamport's method with respect to time and memory efficiency.

Heterogeneity in stabilization phenomena in FLT PET images of canines

International Nuclear Information System (INIS)

Simoncic, Urban; Jeraj, Robert

2014-01-01

3'-( 18 F)fluoro-3'-deoxy-L-thymidine (FLT) is a PET marker of cellular proliferation. Its tissue uptake rate is often quantified with a Standardized Uptake Value (SUV), although kinetic analysis provides a more accurate quantification. The purpose of this study is to investigate the heterogeneity in FLT stabilization phenomena. The study was done on 15 canines with spontaneously occurring sinonasal tumours. They were imaged dynamically for 90 min with FLT PET/CT twice; before and during the radiotherapy. Images were analyzed for kinetics on a voxel basis through compartmental analysis. Stabilization curves were calculated as a time-dependant correlation between the time-dependant SUV and the kinetic parameters (voxel values within the tumour were correlated). Stabilization curves were analyzed for stabilization speed, maximal correlation and correlation decrease following the maximal correlation. These stabilization parameters were correlated with the region-averaged kinetic parameters. The FLT SUV was highly correlated with vasculature fraction immediately post-injection, followed by maximum in correlation with the perfusion/permeability. At later times post-injection the FLT SUV was highly correlated (Pearson correlation coefficient above 0.95) with the FLT influx parameter for cases with tumour-averaged SUV 30–50 min above 2, while others were indeterminate (correlation coefficients from 0.1 to 0.97). All cases with highly correlated SUV and FLT influx parameter had correlation coefficient within 0.5% of its maximum in the period of 30–50 min post-injection. Stabilization time was inversely proportional to the FLT influx rate. Correlation between the FLT SUV and FLT influx parameter dropped at later times post-injection with drop being proportional to the dephosphorylation rate. The FLT was found to be metabolically stable in canines. FLT PET imaging protocol should define minimal and maximal FLT uptake period, which would be 30–50�

CRYSTALLIZATION KINETICS OF GLASS-CERAMICS BY DIFFERENTIAL THERMAL ANALYSIS

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A. NOZAD

2011-06-01

Full Text Available The crystallization behavior of fluorphlogopite, a glass-ceramic in the MgO–SiO2–Al2O3–K2O–B2O3–F system, was studied by substitution of Li2O for K2O in the glass composition. DTA, XRD and SEM were used for the study of crystallization behavior, formed phases and microstructure of the resulting glass-ceramics. Crystallization kinetics of the glass was investigated under non-isothermal conditions, using the formal theory of transformations for heterogeneous nucleation. The crystallization results were analyzed, and both the activation energy of crystallization process as well as the crystallization mechanism were characterized. Calculated kinetic parameters indicated that the appropriate crystallization mechanism was bulk crystallization for base glass and the sample with addition of Li2O. Non-isothermal DTA experiments showed that the crystallization activation energies of base glasses was in the range of 234-246 KJ/mol and in the samples with addition of Li2O was changed to the range of 317-322 KJ/mol.

Age and time effects on implicit and explicit learning

NARCIS (Netherlands)

Verneau, M.; Kamp, J. van der; Savelsbergh, G.J.P.; Looze, M.P. de

2014-01-01

Study Context: It has been proposed that effects of aging are more pronounced for explicit than for implicit motor learning. The authors evaluated this claim by comparing the efficacy of explicit and implicit learning of a movement sequence in young and older adults, and by testing the resilience

Age and Time Effects on Implicit and Explicit Learning

NARCIS (Netherlands)

Verneau, M.M.N.; van der Kamp, J.; Savelsbergh, G.J.P.; de Looze, M.P.

2014-01-01

Study Context: It has been proposed that effects of aging are more pronounced for explicit than for implicit motor learning. The authors evaluated this claim by comparing the efficacy of explicit and implicit learning of a movement sequence in young and older adults, and by testing the resilience

Coupled enzyme reactions performed in heterogeneous reaction media: experiments and modeling for glucose oxidase and horseradish peroxidase in a PEG/citrate aqueous two-phase system.

Science.gov (United States)

Aumiller, William M; Davis, Bradley W; Hashemian, Negar; Maranas, Costas; Armaou, Antonios; Keating, Christine D

2014-03-06

The intracellular environment in which biological reactions occur is crowded with macromolecules and subdivided into microenvironments that differ in both physical properties and chemical composition. The work described here combines experimental and computational model systems to help understand the consequences of this heterogeneous reaction media on the outcome of coupled enzyme reactions. Our experimental model system for solution heterogeneity is a biphasic polyethylene glycol (PEG)/sodium citrate aqueous mixture that provides coexisting PEG-rich and citrate-rich phases. Reaction kinetics for the coupled enzyme reaction between glucose oxidase (GOX) and horseradish peroxidase (HRP) were measured in the PEG/citrate aqueous two-phase system (ATPS). Enzyme kinetics differed between the two phases, particularly for the HRP. Both enzymes, as well as the substrates glucose and H2O2, partitioned to the citrate-rich phase; however, the Amplex Red substrate necessary to complete the sequential reaction partitioned strongly to the PEG-rich phase. Reactions in ATPS were quantitatively described by a mathematical model that incorporated measured partitioning and kinetic parameters. The model was then extended to new reaction conditions, i.e., higher enzyme concentration. Both experimental and computational results suggest mass transfer across the interface is vital to maintain the observed rate of product formation, which may be a means of metabolic regulation in vivo. Although outcomes for a specific system will depend on the particulars of the enzyme reactions and the microenvironments, this work demonstrates how coupled enzymatic reactions in complex, heterogeneous media can be understood in terms of a mathematical model.

Kinetic Isotope Effects (KIE) and Density Functional Theory (DFT): A Match Made in Heaven?

DEFF Research Database (Denmark)

Christensen, Niels Johan; Fristrup, Peter

2015-01-01

Determination of experimental kinetic isotope effects (KIE) is one of the most useful tools for the exploration of reaction mechanisms in organometallic chemistry. The approach has been further strengthened during the last decade with advances in modern computational chemistry. This allows for th...... reaction). The approach is highlighted by using recent examples from both stoichiometric and catalytic reactions, homogeneous and heterogeneous catalysis, and enzyme catalysis to illustrate the expected accuracy and utility of this approach....

Convergence to consensus in heterogeneous groups and the emergence of informal leadership.

Science.gov (United States)

Gavrilets, Sergey; Auerbach, Jeremy; van Vugt, Mark

2016-07-14

When group cohesion is essential, groups must have efficient strategies in place for consensus decision-making. Recent theoretical work suggests that shared decision-making is often the most efficient way for dealing with both information uncertainty and individual variation in preferences. However, some animal and most human groups make collective decisions through particular individuals, leaders, that have a disproportionate influence on group decision-making. To address this discrepancy between theory and data, we study a simple, but general, model that explicitly focuses on the dynamics of consensus building in groups composed by individuals who are heterogeneous in preferences, certain personality traits (agreeability and persuasiveness), reputation, and social networks. We show that within-group heterogeneity can significantly delay democratic consensus building as well as give rise to the emergence of informal leaders, i.e. individuals with a disproportionately large impact on group decisions. Our results thus imply strong benefits of leadership particularly when groups experience time pressure and significant conflict of interest between members (due to various between-individual differences). Overall, our models shed light on why leadership and decision-making hierarchies are widespread, especially in human groups.

Measuring Heterogeneous Reaction Rates with ATR-FTIR Spectroscopy to Evaluate Chemical Fates in an Atmospheric Environment: A Physical Chemistry and Environmental Chemistry Laboratory Experiment

Science.gov (United States)

Roberts, Jason E.; Zeng, Guang; Maron, Marta K.; Mach, Mindy; Dwebi, Iman; Liu, Yong

2016-01-01

This paper reports an undergraduate laboratory experiment to measure heterogeneous liquid/gas reaction kinetics (ozone-oleic acid and ozone-phenothrin) using a flow reactor coupled to an attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrometer. The experiment is specially designed for an upper-level undergraduate Physical…

Plasmachemical and heterogeneous processes in ozonizers with oxygen activation by a dielectric barrier discharge

Energy Technology Data Exchange (ETDEWEB)

Mankelevich, Yu. A., E-mail: ymankelevich@mics.msu.su; Voronina, E. N.; Poroykov, A. Yu.; Rakhimov, T. V.; Voloshin, D. G.; Chukalovsky, A. A. [Moscow State University, Skobeltsyn Institute of Nuclear Physics (Russian Federation)

2016-10-15

Plasmachemical and heterogeneous processes of generation and loss of ozone in the atmosphericpressure dielectric barrier discharge in oxygen are studied theoretically. Plasmachemical and electronic kinetics in the stage of development and decay of a single plasma filament (microdischarge) are calculated numerically with and without allowance for the effects of ozone vibrational excitation and high initial ozone concentration. The developed analytical approach is applied to determine the output ozone concentration taking into account ozone heterogeneous losses on the Al{sub 2}O{sub 3} dielectric surface. Using the results of quantummechanical calculations by the method of density functional theory, a multistage catalytic mechanism of heterogeneous ozone loss based on the initial passivation of a pure Al{sub 2}O{sub 3} surface by ozone and the subsequent interaction of O{sub 3} molecules with the passivated surface is proposed. It is shown that the conversion reaction 2O{sub 3} → 3O{sub 2} of a gas-phase ozone molecule with a physically adsorbed ozone molecule can result in the saturation of the maximum achievable ozone concentration at high specific energy depositions, the nonstationarity of the output ozone concentration, and its dependence on the prehistory of ozonizer operation.

Age effects on explicit and implicit memory

Directory of Open Access Journals (Sweden)

Emma eWard

2013-09-01

Full Text Available It is well documented that explicit memory (e.g., recognition declines with age. In contrast, many argue that implicit memory (e.g., priming is preserved in healthy aging. For example, priming on tasks such as perceptual identification is often not statistically different in groups of young and older adults. Such observations are commonly taken as evidence for distinct explicit and implicit learning/memory systems. In this article we discuss several lines of evidence that challenge this view. We describe how patterns of differential age-related decline may arise from differences in the ways in which the two forms of memory are commonly measured, and review recent research suggesting that under improved measurement methods, implicit memory is not age-invariant. Formal computational models are of considerable utility in revealing the nature of underlying systems. We report the results of applying single and multiple-systems models to data on age effects in implicit and explicit memory. Model comparison clearly favours the single-system view. Implications for the memory systems debate are discussed.

Age effects on explicit and implicit memory.

Science.gov (United States)

Ward, Emma V; Berry, Christopher J; Shanks, David R

2013-01-01

It is well-documented that explicit memory (e.g., recognition) declines with age. In contrast, many argue that implicit memory (e.g., priming) is preserved in healthy aging. For example, priming on tasks such as perceptual identification is often not statistically different in groups of young and older adults. Such observations are commonly taken as evidence for distinct explicit and implicit learning/memory systems. In this article we discuss several lines of evidence that challenge this view. We describe how patterns of differential age-related decline may arise from differences in the ways in which the two forms of memory are commonly measured, and review recent research suggesting that under improved measurement methods, implicit memory is not age-invariant. Formal computational models are of considerable utility in revealing the nature of underlying systems. We report the results of applying single and multiple-systems models to data on age effects in implicit and explicit memory. Model comparison clearly favors the single-system view. Implications for the memory systems debate are discussed.

On the Reliability of Implicit and Explicit Memory Measures.

Science.gov (United States)

Buchner, Axel; Wippich, Werner

2000-01-01

Studied the reliability of implicit and explicit memory tests in experiments involving these tests. Results with 168, 84, 120, and 128 undergraduates show that methodological artifacts may cause implicit memory tests to have lower reliability than explicit memory tests, but that implicit tests need not necessarily be less reliable. (SLD)

CDPOP: A spatially explicit cost distance population genetics program

Science.gov (United States)

Erin L. Landguth; S. A. Cushman

2010-01-01

Spatially explicit simulation of gene flow in complex landscapes is essential to explain observed population responses and provide a foundation for landscape genetics. To address this need, we wrote a spatially explicit, individual-based population genetics model (CDPOP). The model implements individual-based population modelling with Mendelian inheritance and k-allele...

Hepatic apo B-100 lipoproteins and plasma LDL heterogeneity in African green monkeys

International Nuclear Information System (INIS)

Murthy, V.N.; Marzetta, C.A.; Rudel, L.L.; Zech, L.A.; Foster, D.M.

1990-01-01

The contribution of hepatic apolipoprotein (apo) B-100 lipoproteins to plasma low-density lipoprotein (LDL) metabolic heterogeneity was examined in African green monkeys. Hepatic 3H-labeled very low-density lipoproteins (VLDL) (d less than 1.006, where d is density in g/ml) or hepatic 131I-labeled LDL (1.030 less than d less than 1.063) were isolated from perfused livers and injected simultaneously with autologous plasma 125I-LDL into African green monkeys. Serial blood samples were taken, and the distribution of radioactivity among various subfractions of apo B-100 lipoproteins was determined using density-gradient ultracentrifugation. Compartmental models were developed to describe simultaneously the kinetics of hepatic lipoproteins and plasma LDL. In five of seven studies, the metabolic behavior of LDL derived from radiolabeled hepatic lipoprotein precursors differed from the metabolic behavior of radiolabeled autologous plasma LDL. These differences could be described by different models supporting two hypotheses with different physiological interpretations: (1) lipoproteins of donor and recipient animals are kinetically distinct, and/or (2) plasma LDL derived from various potential sources are kinetically distinct. Compartmental modeling was used to test these hypotheses, which were not accessible to testing by conventional experimental methodologies. The kinetic analyses of these studies suggest that plasma LDL may be derived from a variety of precursors, including hepatic VLDL and hepatic LDL, with each source giving rise to metabolically distinct plasma LDL

Kinetics of Reactive Fronts in Porous Media: quantification through a laboratory experiment

Science.gov (United States)

De Anna, P.; Jimenez-Martinez, J.; Turuban, R.; Tabuteau, H.; Derrien, M.; Le Borgne, T.; Meheust, Y.

2013-12-01

The kinetics of reaction fronts in heterogeneous flows is tightly linked to the mixing dynamics governed by the combined action of stretching, diffusion and dispersion. Focusing on porous media flows, with a new experimental setup we show that the invading solute is organized into stretched lamellae, whose deformation and coalescence control the effective reaction kinetics of the mixing limited bimolecular reaction A + B --> C. While the classic advection-dispersion theory predicts a scaling of the cumulative product mass of C as t^(0.5), we observe two distinct kinetics regimes, one characterized by the stretching and the other by the coalescence of the invading lamellae, in which the mass of C scales faster than t^(0.5). The proposed experimental set up allows for direct quantification of mixing and reactive transport in porous media with a high spatial resolution, at the pore scale. The analogous two dimensional porous medium consists in a Hele-Shaw cell containing a single layer of cylindrical solid grains built by soft lithography. On the one hand, the measurement of the local, intra-pore, conservative concentration field is done using a fluorescent tracer. On the other hand, considering a fast bimolecular advection-dispersion reaction A + B --> C occurring as A displaces B, we quantify the reaction kinetics from the spatially-resolved measurement of the pore scale reaction rate, using a chemiluminescent reaction.

Graphene supported heterogeneous catalysts for Li–O{sub 2} batteries

Energy Technology Data Exchange (ETDEWEB)

Alaf, M., E-mail: mirac.alaf@bilecik.edu.tr [Bilecik Seyh Edebali University, Engineering Faculty, Department of Metallurgy and Materials Engineering, Gulumbe Campus, Bilecik 11210 (Turkey); Tocoglu, U.; Kartal, M.; Akbulut, H. [Sakarya University, Engineering Faculty, Department of Metallurgy and Materials Engineering, Esentepe Campus, Sakarya 54187 (Turkey)

2016-09-01

Graphical abstract: - Highlights: • Free-standing and flexible electrodes were prepared for Li–air batteries. • α-MnO{sub 2} nanorods, Pt nanoparticles and graphene were used. • α-MnO{sub 2} and Pt catalyst improved OER/ORR kinetics. - Abstract: In this study production and characterization of free-standing and flexible (i) graphene, (ii) α-MnO{sub 2}/graphene, (iii) Pt/graphene (iv) α-MnO{sub 2}/Pt/graphene composite cathodes for Li–air batteries were reported. Graphene supported heterogeneous catalysts were produced by a facile method. In order to prevent aggregation of graphene sheets and increase not only interlayer distance but also surface area, a trace amount multi-wall carbon nano tube (MWCNT) was introduced to the composite structure. The obtained composite catalysts were characterized by SEM, X-ray diffraction, N{sub 2} adsorption–desorption analyze and Raman spectroscopy. The electrochemical characterization tests including galvanostatic charge/discharge and electrochemical impedance spectroscopy (EIS) measurement of catalyst were carried out by using an ECC-Air test cell. These highly active graphene supported heterogeneous composite catalysts provide competitive properties relative to other catalyst materials for Li–air batteries.

Spatially explicit modeling in ecology: A review

Science.gov (United States)

DeAngelis, Donald L.; Yurek, Simeon

2017-01-01

The use of spatially explicit models (SEMs) in ecology has grown enormously in the past two decades. One major advancement has been that fine-scale details of landscapes, and of spatially dependent biological processes, such as dispersal and invasion, can now be simulated with great precision, due to improvements in computer technology. Many areas of modeling have shifted toward a focus on capturing these fine-scale details, to improve mechanistic understanding of ecosystems. However, spatially implicit models (SIMs) have played a dominant role in ecology, and arguments have been made that SIMs, which account for the effects of space without specifying spatial positions, have an advantage of being simpler and more broadly applicable, perhaps contributing more to understanding. We address this debate by comparing SEMs and SIMs in examples from the past few decades of modeling research. We argue that, although SIMs have been the dominant approach in the incorporation of space in theoretical ecology, SEMs have unique advantages for addressing pragmatic questions concerning species populations or communities in specific places, because local conditions, such as spatial heterogeneities, organism behaviors, and other contingencies, produce dynamics and patterns that usually cannot be incorporated into simpler SIMs. SEMs are also able to describe mechanisms at the local scale that can create amplifying positive feedbacks at that scale, creating emergent patterns at larger scales, and therefore are important to basic ecological theory. We review the use of SEMs at the level of populations, interacting populations, food webs, and ecosystems and argue that SEMs are not only essential in pragmatic issues, but must play a role in the understanding of causal relationships on landscapes.

Reduced Theta-Band Power and Phase Synchrony during Explicit Verbal Memory Tasks in Female, Non-Clinical Individuals with Schizotypal Traits.

Science.gov (United States)

Choi, Jeong Woo; Jang, Kyoung-Mi; Jung, Ki-Young; Kim, Myung-Sun; Kim, Kyung Hwan

2016-01-01

The study of non-clinical individuals with schizotypal traits has been considered to provide a promising endophenotypic approach to understanding schizophrenia, because schizophrenia is highly heterogeneous, and a number of confounding factors may affect neuropsychological performance. Here, we investigated whether deficits in explicit verbal memory in individuals with schizotypal traits are associated with abnormalities in the local and inter-regional synchrony of brain activity. Memory deficits have been recognized as a core problem in schizophrenia, and previous studies have consistently shown explicit verbal memory impairment in schizophrenic patients. However, the mechanism of this impairment has not been fully revealed. Seventeen individuals with schizotypal traits and 17 age-matched, normal controls participated. Multichannel event-related electroencephalograms (EEGs) were recorded while the subjects performed a continuous recognition task. Event-related spectral perturbations (ERSPs) and inter-regional theta-band phase locking values (TPLVs) were investigated to determine the differences in local and global neural synchrony between the two subject groups. Additionally, the connection patterns of the TPLVs were quantitatively analyzed using graph theory measures. An old/new effect was found in the induced theta-band ERSP in both groups. However, the difference between the old and new was larger in normal controls than in schizotypal trait group. The tendency of elevated old/new effect in normal controls was observed in anterior-posterior theta-band phase synchrony as well. Our results suggest that explicit memory deficits observed in schizophrenia patients can also be found in non-clinical individuals with psychometrically defined schizotypal traits.

Advances in Surface Plasmon Resonance Imaging enable quantitative measurement of laterally heterogeneous coatings of nanoscale thickness

Science.gov (United States)

Raegen, Adam; Reiter, Kyle; Clarke, Anthony; Lipkowski, Jacek; Dutcher, John

2013-03-01

The Surface Plasmon Resonance (SPR) phenomenon is routinely exploited to qualitatively probe changes to the optical properties of nanoscale coatings on thin metallic surfaces, for use in probes and sensors. Unfortunately, extracting truly quantitative information is usually limited to a select few cases - uniform absorption/desorption of small biomolecules and films, in which a continuous ``slab'' model is a good approximation. We present advancements in the SPR technique that expand the number of cases for which the technique can provide meaningful results. Use of a custom, angle-scanning SPR imaging system, together with a refined data analysis method, allow for quantitative kinetic measurements of laterally heterogeneous systems. We first demonstrate the directionally heterogeneous nature of the SPR phenomenon using a directionally ordered sample, then show how this allows for the calculation of the average coverage of a heterogeneous sample. Finally, the degradation of cellulose microfibrils and bundles of microfibrils due to the action of cellulolytic enzymes will be presented as an excellent example of the capabilities of the SPR imaging system.

The Development of Explicit Memory for Basic Perceptual Features.

Science.gov (United States)

Gulya, Michelle; Rossi-George, Alba; Hartshorn, Kristen; Vieira, Aurora; Rovee-Collier, Carolyn; Johnson, Marcia K.; Chalfonte, Barbara L.

2002-01-01

Three experiments with 164 individuals between 4 and 80 years old examined age-related changes in explicit memory for three perceptual features: item identity, color, and location. Findings indicated that performance on explicit memory tests was not a consistent inverted U-shaped function of age across various features, but depended on the…

Study of Non-Isothermal Crystallization Kinetics of Biodegradable Poly(ethylene adipate/SiO2 Nanocomposites

Directory of Open Access Journals (Sweden)

M. R. Memarzadeh

2013-09-01

Full Text Available Poly(ethylene adipte and poly(ethylene adipate/silica nanocomposite (PEAd/SiO2 containing 3 wt. % SiO2  were prepared by an in situ method. The examinations on the non-isothermal crystallization kinetic behavior have been conducted by means of differential scanning calorimeter (DSC. The Avrami, Ozawa, and combined Avrami and Ozawa equations were applied to describe the crystallization kinetics and to determine the crystallization parameters of the prepared PEAd/SiO2 nanocomposites. It is found that the inclusion of the silica nanoparticles can accelerate the nucleation rate due to heterogeneous nucleation effect of silica on the polymer matrix. According to the obtained results, the combined Avrami and Ozawa equation shown that the better model for examination of this system.

Making things explicit using instructional materials: a case study of a Singapore teacher's practice

Science.gov (United States)

Leong, Yew Hoong; Cheng, Lu Pien; Toh, Wei Yeng Karen; Kaur, Berinderjeet; Toh, Tin Lam

2018-04-01

The phrase `make it explicit' is a common advice given to teachers. It is, however, not clear to us what this actually means when translated into classroom practice. Our review found that we are not alone: "explicit" is used in different ways in the education literature. This paper explores, through a case study of a teacher who stated "making things explicit" as an ostensible goal of his instructional practice, how the explicitation is realised in teaching mathematics. In particular, we examine how he used the instructional materials that he crafted to fulfil his goal of explicitation. We were able to uncover three strategies he used: explicit-from, explicit-within, and explicit-to.

Explicitly computing geodetic coordinates from Cartesian coordinates

Science.gov (United States)

Zeng, Huaien

2013-04-01

This paper presents a new form of quartic equation based on Lagrange's extremum law and a Groebner basis under the constraint that the geodetic height is the shortest distance between a given point and the reference ellipsoid. A very explicit and concise formulae of the quartic equation by Ferrari's line is found, which avoids the need of a good starting guess for iterative methods. A new explicit algorithm is then proposed to compute geodetic coordinates from Cartesian coordinates. The convergence region of the algorithm is investigated and the corresponding correct solution is given. Lastly, the algorithm is validated with numerical experiments.

Kinetics of solid state phase transformation UAl3 + Al -> UAl4

International Nuclear Information System (INIS)

Cunha, C.A. da.

1986-01-01

The Kinetics of phase transformation UAl 3 + Al -> UAl 4 of two Al-U alloys, with 31.4 and 33.4 wt% U respectively, was studied by quantitative microscopy. The results have shown that this transformation is a nucleation and thermally activated growth process. The nucleation occurs heterogeneously at the UAl 3 /Al (∞) interfaces and the growth is controlled by volume diffusion. The empirical activation energy of the process was determined, which mean value is about 54.8 Kcal/mol. The growth Kinetic of UAl 4 phase is a parabolic law. The UAl 4 /UAl 3 and UAl 4 /Al (∞) interfaces migrates in opposite directions, with the UAl 4 /UAl 3 interface velocity being approximately 5 times greater than that of UAl 4 /Al (∞) interface. The chemical diffusion coefficient of Al and U in the UAl 4 phase were evaluated to be of the order of 10 -9 cm 2 /s at 600 0 C. (author) [pt

Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L =1

Science.gov (United States)

Bubin, Sergiy; Adamowicz, Ludwik

2008-03-01

In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L=1.

Science.gov (United States)

Bubin, Sergiy; Adamowicz, Ludwik

2008-03-21

In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

Thermokinetics of heterogeneous droplet nucleation on conically textured substrates.

Science.gov (United States)

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

2015-11-28

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

Dynamic contact angle cycling homogenizes heterogeneous surfaces.

Science.gov (United States)

Belibel, R; Barbaud, C; Mora, L

2016-12-01

In order to reduce restenosis, the necessity to develop the appropriate coating material of metallic stent is a challenge for biomedicine and scientific research over the past decade. Therefore, biodegradable copolymers of poly((R,S)-3,3 dimethylmalic acid) (PDMMLA) were prepared in order to develop a new coating exhibiting different custom groups in its side chain and being able to carry a drug. This material will be in direct contact with cells and blood. It consists of carboxylic acid and hexylic groups used for hydrophilic and hydrophobic character, respectively. The study of this material wettability and dynamic surface properties is of importance due to the influence of the chemistry and the potential motility of these chemical groups on cell adhesion and polymer kinetic hydrolysis. Cassie theory was used for the theoretical correction of contact angles of these chemical heterogeneous surfaces coatings. Dynamic Surface Analysis was used as practical homogenizer of chemical heterogeneous surfaces by cycling during many cycles in water. In this work, we confirmed that, unlike receding contact angle, advancing contact angle is influenced by the difference of only 10% of acidic groups (%A) in side-chain of polymers. It linearly decreases with increasing acidity percentage. Hysteresis (H) is also a sensitive parameter which is discussed in this paper. Finally, we conclude that cycling provides real information, thus avoiding theoretical Cassie correction. H(10)is the most sensible parameter to %A. Copyright © 2016 Elsevier B.V. All rights reserved.

Making context explicit for explanation and incremental knowledge acquisition

Energy Technology Data Exchange (ETDEWEB)

Brezillon, P. [Univ. Paris (France)

1996-12-31

Intelligent systems may be improved by making context explicit in problem solving. This is a lesson drawn from a study of the reasons why a number of knowledge-based systems (KBSs) failed. We discuss the interest to make context explicit in explanation generation and incremental knowledge acquisition, two important aspects of intelligent systems that aim to cooperate with users. We show how context can be used to better explain and incrementally acquire knowledge. The advantages of using context in explanation and incremental knowledge acquisition are discussed through SEPIT, an expert system for supporting diagnosis and explanation through simulation of power plants. We point out how the limitations of such systems may be overcome by making context explicit.

Explicit solution of Calderon preconditioned time domain integral equations

KAUST Repository

Ulku, Huseyin Arda

2013-07-01

An explicit marching on-in-time (MOT) scheme for solving Calderon-preconditioned time domain integral equations is proposed. The scheme uses Rao-Wilton-Glisson and Buffa-Christiansen functions to discretize the domain and range of the integral operators and a PE(CE)m type linear multistep to march on in time. Unlike its implicit counterpart, the proposed explicit solver requires the solution of an MOT system with a Gram matrix that is sparse and well-conditioned independent of the time step size. Numerical results demonstrate that the explicit solver maintains its accuracy and stability even when the time step size is chosen as large as that typically used by an implicit solver. © 2013 IEEE.

Explicit estimating equations for semiparametric generalized linear latent variable models

KAUST Repository

Ma, Yanyuan; Genton, Marc G.

2010-01-01

which is similar to that of a sufficient complete statistic, which enables us to simplify the estimating procedure and explicitly to formulate the semiparametric estimating equations. We further show that the explicit estimators have the usual root n

Implicit and explicit interethnic attitudes and ethnic discrimination in hiring

NARCIS (Netherlands)

Blommaert, E.C.C.A.; Tubergen, F.A. van; Coenders, M.T.A.

2012-01-01

We study effects of explicit and implicit interethnic attitudes on ethnic discrimination in hiring. Unlike explicit attitudes, implicit attitudes are characterised by reduced controllability, awareness or intention. Effects of implicit interethnic attitudes on ethnic discrimination in the labour

Implicit but not explicit self-esteem predicts future depressive symptomatology.

Science.gov (United States)

Franck, Erik; De Raedt, Rudi; De Houwer, Jan

2007-10-01

To date, research on the predictive validity of implicit self-esteem for depressive relapse is very sparse. In the present study, we assessed implicit self-esteem using the Name Letter Preference Task and explicit self-esteem using the Rosenberg self-esteem scale in a group of currently depressed patients, formerly depressed individuals, and never depressed controls. In addition, we examined the predictive validity of explicit, implicit, and the interaction of explicit and implicit self-esteem in predicting future symptoms of depression in formerly depressed individuals and never depressed controls. The results showed that currently depressed individuals reported a lower explicit self-esteem as compared to formerly depressed individuals and never depressed controls. In line with previous research, all groups showed a positive implicit self-esteem not different from each other. Furthermore, after controlling for initial depressive symptomatology, implicit but not explicit self-esteem significantly predicted depressive symptoms at six months follow-up. Although implicit self-esteem assessed with the Name Letter Preference Test was not different between formerly depressed individuals and never depressed controls, the findings suggest it is an interesting variable in the study of vulnerability for depression relapse.

An efficient technique for the point reactor kinetics equations with Newtonian temperature feedback effects

International Nuclear Information System (INIS)

Nahla, Abdallah A.

2011-01-01

Highlights: → An efficient technique for the nonlinear reactor kinetics equations is presented. → This method is based on Backward Euler or Crank Nicholson and fundamental matrix. → Stability of efficient technique is defined and discussed. → This method is applied to point kinetics equations of six-groups of delayed neutrons. → Step, ramp, sinusoidal and temperature feedback reactivities are discussed. - Abstract: The point reactor kinetics equations of multi-group of delayed neutrons in the presence Newtonian temperature feedback effects are a system of stiff nonlinear ordinary differential equations which have not any exact analytical solution. The efficient technique for this nonlinear system is based on changing this nonlinear system to a linear system by the predicted value of reactivity and solving this linear system using the fundamental matrix of the homogenous linear differential equations. The nonlinear point reactor kinetics equations are rewritten in the matrix form. The solution of this matrix form is introduced. This solution contains the exponential function of a variable coefficient matrix. This coefficient matrix contains the unknown variable, reactivity. The predicted values of reactivity in the explicit form are determined replacing the exponential function of the coefficient matrix by two kinds, Backward Euler and Crank Nicholson, of the rational approximations. The nonlinear point kinetics equations changed to a linear system of the homogenous differential equations. The fundamental matrix of this linear system is calculated using the eigenvalues and the corresponding eigenvectors of the coefficient matrix. Stability of the efficient technique is defined and discussed. The efficient technique is applied to the point kinetics equations of six-groups of delayed neutrons with step, ramp, sinusoidal and the temperature feedback reactivities. The results of these efficient techniques are compared with the traditional methods.

Can Explaining Less Be More? Enhancing Vocabulary through Explicit versus Elaborative Storytelling

Science.gov (United States)

Vaahtoranta, Enni; Suggate, Sebastian; Jachmann, Cornelia; Lenhart, Jan; Lenhard, Wolfgang

2018-01-01

Shared reading represents an established practice to foster preschool vocabulary development, particularly when coupled with explicit instruction in word meanings. However, a question remains as to whether explicit word definitions detract from story delivery and hence language learning. Accordingly, this study compared explicit versus…

Efficacy of an explicit handwriting program.

Science.gov (United States)

Kaiser, Marie-Laure; Albaret, Jean-Michel; Doudin, Pierre-André

2011-04-01

The aim of this study was to investigate the effects of an explicit handwriting program introduced during the first grade of elementary school. Grade 1 children (N=23) with an age range of 6.1 to 7.4 yr. (15 girls, 8 boys) were administered an additional handwriting program of two weekly sessions of 45 min. over six weeks. Another group of 19 Grade 1 children (11 girls, 8 boys) received only the regular handwriting program of one weekly session. The Concise Assessment Scale for Children's Handwriting was administered to measure the changes in quality and speed of handwriting. The children given the explicit program showed better quality and speed of handwriting than did the control group. Their handwriting was more regular, with fewer ambiguous letters and fewer incorrect relative heights.

Cell-Division Behavior in a Heterogeneous Swarm Environment.

Science.gov (United States)

Erskine, Adam; Herrmann, J Michael

2015-01-01

We present a system of virtual particles that interact using simple kinetic rules. It is known that heterogeneous mixtures of particles can produce particularly interesting behaviors. Here we present a two-species three-dimensional swarm in which a behavior emerges that resembles cell division. We show that the dividing behavior exists across a narrow but finite band of parameters and for a wide range of population sizes. When executed in a two-dimensional environment the swarm's characteristics and dynamism manifest differently. In further experiments we show that repeated divisions can occur if the system is extended by a biased equilibrium process to control the split of populations. We propose that this repeated division behavior provides a simple model for cell-division mechanisms and is of interest for the formation of morphological structure and to swarm robotics.

Development of a point-kinetic verification scheme for nuclear reactor applications

Energy Technology Data Exchange (ETDEWEB)

Demazière, C., E-mail: demaz@chalmers.se; Dykin, V.; Jareteg, K.

2017-06-15

In this paper, a new method that can be used for checking the proper implementation of time- or frequency-dependent neutron transport models and for verifying their ability to recover some basic reactor physics properties is proposed. This method makes use of the application of a stationary perturbation to the system at a given frequency and extraction of the point-kinetic component of the system response. Even for strongly heterogeneous systems for which an analytical solution does not exist, the point-kinetic component follows, as a function of frequency, a simple analytical form. The comparison between the extracted point-kinetic component and its expected analytical form provides an opportunity to verify and validate neutron transport solvers. The proposed method is tested on two diffusion-based codes, one working in the time domain and the other working in the frequency domain. As long as the applied perturbation has a non-zero reactivity effect, it is demonstrated that the method can be successfully applied to verify and validate time- or frequency-dependent neutron transport solvers. Although the method is demonstrated in the present paper in a diffusion theory framework, higher order neutron transport methods could be verified based on the same principles.

The explicit and implicit dance in psychoanalytic change.

Science.gov (United States)

Fosshage, James L

2004-02-01

How the implicit/non-declarative and explicit/declarative cognitive domains interact is centrally important in the consideration of effecting change within the psychoanalytic arena. Stern et al. (1998) declare that long-lasting change occurs in the domain of implicit relational knowledge. In the view of this author, the implicit and explicit domains are intricately intertwined in an interactive dance within a psychoanalytic process. The author views that a spirit of inquiry (Lichtenberg, Lachmann & Fosshage 2002) serves as the foundation of the psychoanalytic process. Analyst and patient strive to explore, understand and communicate and, thereby, create a 'spirit' of interaction that contributes, through gradual incremental learning, to new implicit relational knowledge. This spirit, as part of the implicit relational interaction, is a cornerstone of the analytic relationship. The 'inquiry' more directly brings explicit/declarative processing to the foreground in the joint attempt to explore and understand. The spirit of inquiry in the psychoanalytic arena highlights both the autobiographical scenarios of the explicit memory system and the mental models of the implicit memory system as each contributes to a sense of self, other, and self with other. This process facilitates the extrication and suspension of the old models, so that new models based on current relational experience can be gradually integrated into both memory systems for lasting change.

Heterogeneous network architectures

DEFF Research Database (Denmark)

Christiansen, Henrik Lehrmann

2006-01-01

is flexibility. This thesis investigates such heterogeneous network architectures and how to make them flexible. A survey of algorithms for network design is presented, and it is described how using heuristics can increase the speed. A hierarchical, MPLS based network architecture is described......Future networks will be heterogeneous! Due to the sheer size of networks (e.g., the Internet) upgrades cannot be instantaneous and thus heterogeneity appears. This means that instead of trying to find the olution, networks hould be designed as being heterogeneous. One of the key equirements here...... and it is discussed that it is advantageous to heterogeneous networks and illustrated by a number of examples. Modeling and simulation is a well-known way of doing performance evaluation. An approach to event-driven simulation of communication networks is presented and mixed complexity modeling, which can simplify...

A Meta-Analysis Suggests Different Neural Correlates for Implicit and Explicit Learning.

Science.gov (United States)

Loonis, Roman F; Brincat, Scott L; Antzoulatos, Evan G; Miller, Earl K

2017-10-11

A meta-analysis of non-human primates performing three different tasks (Object-Match, Category-Match, and Category-Saccade associations) revealed signatures of explicit and implicit learning. Performance improved equally following correct and error trials in the Match (explicit) tasks, but it improved more after correct trials in the Saccade (implicit) task, a signature of explicit versus implicit learning. Likewise, error-related negativity, a marker for error processing, was greater in the Match (explicit) tasks. All tasks showed an increase in alpha/beta (10-30 Hz) synchrony after correct choices. However, only the implicit task showed an increase in theta (3-7 Hz) synchrony after correct choices that decreased with learning. In contrast, in the explicit tasks, alpha/beta synchrony increased with learning and decreased thereafter. Our results suggest that explicit versus implicit learning engages different neural mechanisms that rely on different patterns of oscillatory synchrony. Copyright © 2017 Elsevier Inc. All rights reserved.

Individual differences in explicit and implicit visuomotor learning and working memory capacity.

Science.gov (United States)

Christou, Antonios I; Miall, R Chris; McNab, Fiona; Galea, Joseph M

2016-11-08

The theoretical basis for the association between high working memory capacity (WMC) and enhanced visuomotor adaptation is unknown. Visuomotor adaptation involves interplay between explicit and implicit systems. We examined whether the positive association between adaptation and WMC is specific to the explicit component of adaptation. Experiment 1 replicated the positive correlation between WMC and adaptation, but revealed this was specific to the explicit component of adaptation, and apparently driven by a sub-group of participants who did not show any explicit adaptation in the correct direction. A negative correlation was observed between WMC and implicit learning. Experiments 2 and 3 showed that when the task restricted the development of an explicit strategy, high WMC was no longer associated with enhanced adaptation. This work reveals that the benefit of high WMC is specifically linked to an individual's capacity to use an explicit strategy. It also reveals an important contribution of individual differences in determining how adaptation is performed.

Predictive Validity of Explicit and Implicit Threat Overestimation in Contamination Fear

Science.gov (United States)

Green, Jennifer S.; Teachman, Bethany A.

2012-01-01

We examined the predictive validity of explicit and implicit measures of threat overestimation in relation to contamination-fear outcomes using structural equation modeling. Undergraduate students high in contamination fear (N = 56) completed explicit measures of contamination threat likelihood and severity, as well as looming vulnerability cognitions, in addition to an implicit measure of danger associations with potential contaminants. Participants also completed measures of contamination-fear symptoms, as well as subjective distress and avoidance during a behavioral avoidance task, and state looming vulnerability cognitions during an exposure task. The latent explicit (but not implicit) threat overestimation variable was a significant and unique predictor of contamination fear symptoms and self-reported affective and cognitive facets of contamination fear. On the contrary, the implicit (but not explicit) latent measure predicted behavioral avoidance (at the level of a trend). Results are discussed in terms of differential predictive validity of implicit versus explicit markers of threat processing and multiple fear response systems. PMID:24073390

Explicit formula for a fundamental class of functions

OpenAIRE

Avdispahić, Muharem; Smajlović, Lejla

2005-01-01

The purpose of this paper is to prove an analogue of A. Weil's explicit formula for a fundamental class of functions, i.e. the class of meromorphic functions that have an Euler sum representation and satisfy certain a functional equation. The advance of this explicit formula is that it enlarges the class of allowed test functions, from the class of functions with bounded Jordan variation to the class of functions of $\\phi $-bounded variation. A condition posed to the test fu...

Managers' implicit and explicit risk-attitudes in managerial decision making

NARCIS (Netherlands)

Bittner, Jenny; Landwehr, Julia; Hertel, Guido; Binnewies, Carmen; Krumm, Stefan; Holling, Heinz; Kleinmar, Martin

2013-01-01

Purpose We examined the contribution of implicit and explicit risk-attitudes to the prediction of risky management decisions. Indirect methods allow for the measurement of implicit attitudes, while self-report is typically used to measure explicit, reflective attitudes. Indirect methods make it

Control of boiler temperature with explicit MPC; Panntemperaturreglering med explicit MPC

Energy Technology Data Exchange (ETDEWEB)

Slaetteke, Ola; Velut, Stefan; Raaberg, Martin

2012-02-15

MPC is the multivariable controller that has been most successful in the process industry and particularly the petrochemical industry. It has been described as one of the most significant developments in process control and the main reasons for this are: 1. It handles multivariable control problems in a natural manner. 2. It is relative easy to understand the structure of the controller, which is the same whether it is a simple loop or a multivariable system. 3. It handles limitations of both the process and other practical constraints in a systematic way. Examples of this is that a valve can only work between 0 and 100 %, but also that the CO-level in the flue gas must not exceed a certain level. 4. It allows for operating conditions near critical process boundaries, which in many cases is synonymous with increased production rates, reduced raw material consumption, better energy utilization, and faster process transitions. The aim of the project is to evaluate the potential of multivariable control in the form of explicit MPC in a boiler at Stora Enso Hylte Bruk. This research task can be divided into two sub-tasks: 1. General evaluation of explicit MPC. 2. Evaluation of multivariable control of boiler temperature The purpose of subtask one is to evaluate what is required of a facility owner to implement explicit MPC in a control system. This includes everything from available calculation tools, what is important to consider during the design phase of the controller, different pitfalls that exist, management of different operating modes, to how the controller should be implemented and commissioned. Subtask two is intended to evaluate the multivariable control of a boiler of CFB type (circulating fluidized bed). MPC controller will regulate the temperature in the boiler. In order to maintain the waste incineration directive, the temperature in the upper part of the boiler is controlled. This is done by means of changes in the flow of natural gas injection and

Kinetic Typography

DEFF Research Database (Denmark)

van Leeuwen, Theo; Djonov, Emilia

2014-01-01

After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images.......After discussing broad cultural drivers behind the development of kinetic typography, the chapter outlines an approach to analysing kinetic typography which is based on Halliday's theory of transitivity, as applied by Kress and Van Leeuwen to visual images....

Modeling and validation of directional reflectance for heterogeneous agro-forestry scenarios

Science.gov (United States)

Yelu, Z.; Jing, L.; Qinhuo, L.; Huete, A. R.

2015-12-01

Landscape heterogeneity is a common natural phenomenon but is seldom considered in current radiative transfer models for predicting the surface reflectance. This paper developed an explicit analytical Radiative Transfer model for heterogeneous Agro-Forestry scenarios (RTAF) by dividing the scenario into non-boundary regions and boundary regions. The scattering contribution of the non-boundary regions that are treated as homogeneous canopies can be estimated from the SAILH model, whereas that of the boundary regions with lengths, widths, canopy heights, and orientations of the field patches, is calculated based on the bidirectional gap probability by considering the interactions and mutual shadowing effects among different patches. The hot spot factor is extended for heterogeneous scenarios, the Hapke model for soil anisotropy is incorporated, and the contributions of the direct and diffuse radiation are separately calculated. The multi-angular airborne observations and the Discrete Anisotropic Radiative Transfer (DART) model simulations were used for validating and evaluating the RTAF model over an agro-forestry scenario in Heihe River Basin, China. It indicates that the RTAF model can accurately simulate the hemispherical-directional reflectance factors (HDRFs) of the heterogeneous agro-forestry scenario, with an RMSE of 0.0016 and 0.0179 in the red and near-infrared (NIR) bands, respectively. The RTAF model was compared with two widely used models, the dominant cover type (DCT) model and the spectral linear mixture (SLM) model, which either neglected the interactions and mutual shadowing effects between the shelterbets and crops, or did not account for the contribution of the shelterbets. Results suggest that the boundary effect can significantly influence the angular distribution of the HDRFs, and consequently enlarged the HDRF variations between the backward and forward directions in the principle plane. The RTAF model reduced the maximum relative error from 25

Explicit formulas for Clebsch-Gordan coefficients

International Nuclear Information System (INIS)

Rudnicki-Bujnowski, G.

1975-01-01

The problem is to obtain explicit algebraic formulas of Clebsch-Gordan coefficients for high values of angular momentum. The method of solution is an algebraic method based on the Racah formula using the FORMAC programming language. (Auth.)

Coupling of kinetic Monte Carlo simulations of surface reactions to transport in a fluid for heterogeneous catalytic reactor modeling

International Nuclear Information System (INIS)

Schaefer, C.; Jansen, A. P. J.

2013-01-01

We have developed a method to couple kinetic Monte Carlo simulations of surface reactions at a molecular scale to transport equations at a macroscopic scale. This method is applicable to steady state reactors. We use a finite difference upwinding scheme and a gap-tooth scheme to efficiently use a limited amount of kinetic Monte Carlo simulations. In general the stochastic kinetic Monte Carlo results do not obey mass conservation so that unphysical accumulation of mass could occur in the reactor. We have developed a method to perform mass balance corrections that is based on a stoichiometry matrix and a least-squares problem that is reduced to a non-singular set of linear equations that is applicable to any surface catalyzed reaction. The implementation of these methods is validated by comparing numerical results of a reactor simulation with a unimolecular reaction to an analytical solution. Furthermore, the method is applied to two reaction mechanisms. The first is the ZGB model for CO oxidation in which inevitable poisoning of the catalyst limits the performance of the reactor. The second is a model for the oxidation of NO on a Pt(111) surface, which becomes active due to lateral interaction at high coverages of oxygen. This reaction model is based on ab initio density functional theory calculations from literature.

Alexithymia Components Are Differentially Related to Explicit Negative Affect But Not Associated with Explicit Positive Affect or Implicit Affectivity.

Science.gov (United States)

Suslow, Thomas; Donges, Uta-Susan

2017-01-01

Alexithymia represents a multifaceted personality construct defined by difficulties in recognizing and verbalizing emotions and externally oriented thinking. According to clinical observations, experience of negative affects is exacerbated and experience of positive affects is decreased in alexithymia. Findings from research based on self-report indicate that all alexithymia facets are negatively associated with the experience of positive affects, whereas difficulties identifying and describing feelings are related to heightened negative affect. Implicit affectivity, which can be measured using indirect assessment methods, relates to processes of the impulsive system. The aim of the present study was to examine, for the first time, the relations between alexithymia components and implicit and explicit positive and negative affectivity in healthy adults. The 20-item Toronto Alexithymia Scale, the Implicit Positive and Negative Affect Test and the Positive and Negative Affect Schedule (PANAS) were administered to two hundred and forty-one healthy individuals along with measures of depression and trait anxiety. Difficulties identifying feelings were correlated with explicit negative trait affect, depressive mood and trait anxiety. Difficulties describing feelings showed smaller but also significant correlations with depressive mood and trait anxiety but were not correlated with explicit state or trait affect as assessed by the PANAS. Externally oriented thinking was not significantly correlated with any of the implicit and explicit affect measures. According to our findings, an externally oriented, concrete way of thinking appears to be generally unrelated to dispositions to develop positive or negative affects. Difficulties identifying feelings seem to be associated with increased conscious negative affects but not with a heightened disposition to develop negative affects at an automatic response level.

Alexithymia Components Are Differentially Related to Explicit Negative Affect But Not Associated with Explicit Positive Affect or Implicit Affectivity

Directory of Open Access Journals (Sweden)

Thomas Suslow

2017-10-01

Full Text Available Alexithymia represents a multifaceted personality construct defined by difficulties in recognizing and verbalizing emotions and externally oriented thinking. According to clinical observations, experience of negative affects is exacerbated and experience of positive affects is decreased in alexithymia. Findings from research based on self-report indicate that all alexithymia facets are negatively associated with the experience of positive affects, whereas difficulties identifying and describing feelings are related to heightened negative affect. Implicit affectivity, which can be measured using indirect assessment methods, relates to processes of the impulsive system. The aim of the present study was to examine, for the first time, the relations between alexithymia components and implicit and explicit positive and negative affectivity in healthy adults. The 20-item Toronto Alexithymia Scale, the Implicit Positive and Negative Affect Test and the Positive and Negative Affect Schedule (PANAS were administered to two hundred and forty-one healthy individuals along with measures of depression and trait anxiety. Difficulties identifying feelings were correlated with explicit negative trait affect, depressive mood and trait anxiety. Difficulties describing feelings showed smaller but also significant correlations with depressive mood and trait anxiety but were not correlated with explicit state or trait affect as assessed by the PANAS. Externally oriented thinking was not significantly correlated with any of the implicit and explicit affect measures. According to our findings, an externally oriented, concrete way of thinking appears to be generally unrelated to dispositions to develop positive or negative affects. Difficulties identifying feelings seem to be associated with increased conscious negative affects but not with a heightened disposition to develop negative affects at an automatic response level.

Neural mechanism of lmplicit and explicit memory retrieval: functional MR imaging

International Nuclear Information System (INIS)

Kang, Heoung Keun; Jeong, Gwang Woo; Park, Tae Jin; Seo, Jeong Jin; Kim, Hyung Joong; Eun, Sung Jong; Chung, Tae Woong

2003-01-01

To identify, using functional MR imaging, distinct cerebral centers and to evaluate the neural mechanism associated with implicit and explicit retrieval of words during conceptual processing. Seven healthy volunteers aged 21-25 (mean, 22) years underwent BOLD-based fMR imaging using a 1.5T signa horizon echospeed MR system. To activate the cerebral cortices, a series of tasks was performed as follows: the encoding of two-syllable words, and implicit and explicit retrieval of previously learned words during conceptual processing. The activation paradigm consisted of a cycle of alternating periods of 30 seconds of stimulation and 30 seconds of rest. Stimulation was accomplished by encoding eight two-syllable words and the retrieval of previously presented words, while the control condition was a white screen with a small fixed cross. During the tasks we acquired ten slices (6 mm slice thickness, 1 mm gap) parallel to the AC-PC line, and the resulting functional activation maps were reconstructed using a statistical parametric mapping program (SPM99). A comparison of activation ratios (percentages), based on the number of volunteers, showed that activation of Rhs-35, PoCiG-23 and ICiG-26·30 was associated with explicit retrieval only; other brain areas were activated during the performance of both implicit and explicit retrieval tasks. Activation ratios were higher for explicit tasks than for implicit; in the cingulate gyrus and temporal lobe they were 30% and 10% greater, respectively. During explicit retrieval, a distinct brain activation index (percentage) was seen in the temporal, parietal, and occipital lobe and cingulate gyrus, and PrCeG-4, Pr/ PoCeG-43 in the frontal lobe. During implicit retrieval, on the other hand, activity was greater in the frontal lobe, including the areas of SCA-25, SFG/MFG-10, IFG-44·45, OrbG-11·47, SFG-6·8 and MFG-9·46. Overall, activation was lateralized mainly in the left hemisphere during both implicit and explicit retrieval

Neural mechanism of lmplicit and explicit memory retrieval: functional MR imaging

Energy Technology Data Exchange (ETDEWEB)

Kang, Heoung Keun; Jeong, Gwang Woo; Park, Tae Jin; Seo, Jeong Jin; Kim, Hyung Joong; Eun, Sung Jong; Chung, Tae Woong [Chonnam National University Medical School, Gwangju (Korea, Republic of)

2003-03-01

To identify, using functional MR imaging, distinct cerebral centers and to evaluate the neural mechanism associated with implicit and explicit retrieval of words during conceptual processing. Seven healthy volunteers aged 21-25 (mean, 22) years underwent BOLD-based fMR imaging using a 1.5T signa horizon echospeed MR system. To activate the cerebral cortices, a series of tasks was performed as follows: the encoding of two-syllable words, and implicit and explicit retrieval of previously learned words during conceptual processing. The activation paradigm consisted of a cycle of alternating periods of 30 seconds of stimulation and 30 seconds of rest. Stimulation was accomplished by encoding eight two-syllable words and the retrieval of previously presented words, while the control condition was a white screen with a small fixed cross. During the tasks we acquired ten slices (6 mm slice thickness, 1 mm gap) parallel to the AC-PC line, and the resulting functional activation maps were reconstructed using a statistical parametric mapping program (SPM99). A comparison of activation ratios (percentages), based on the number of volunteers, showed that activation of Rhs-35, PoCiG-23 and ICiG-26{center_dot}30 was associated with explicit retrieval only; other brain areas were activated during the performance of both implicit and explicit retrieval tasks. Activation ratios were higher for explicit tasks than for implicit; in the cingulate gyrus and temporal lobe they were 30% and 10% greater, respectively. During explicit retrieval, a distinct brain activation index (percentage) was seen in the temporal, parietal, and occipital lobe and cingulate gyrus, and PrCeG-4, Pr/ PoCeG-43 in the frontal lobe. During implicit retrieval, on the other hand, activity was greater in the frontal lobe, including the areas of SCA-25, SFG/MFG-10, IFG-44{center_dot}45, OrbG-11{center_dot}47, SFG-6{center_dot}8 and MFG-9{center_dot}46. Overall, activation was lateralized mainly in the left

Implicit and explicit self-esteem discrepancies in people with psychogenic nonepileptic seizures.

Science.gov (United States)

Dimaro, Lian V; Roberts, Nicole A; Moghaddam, Nima G; Dawson, David L; Brown, Ian; Reuber, Markus

2015-05-01

Self-esteem (SE), or one's sense of competence and worth, is reduced in many mental and physical disorders. Low SE is associated with perceived stigma and disability and poor treatment outcomes. The present study examined implicit and explicit SE (automatic and deliberate views about the self) in people with epilepsy and people with psychogenic nonepileptic seizures (PNESs). Discrepancies between implicit SE and explicit SE have been found to correlate with psychological distress in disorders often associated with PNESs but are relatively unexplored in PNESs. We hypothesized that, compared with epilepsy, PNESs would be associated with lower self-reported SE and greater discrepancies between implicit SE and explicit SE. Thirty adults with PNESs, 25 adults with epilepsy, and 31 controls without a history of seizures were asked to complete the Rosenberg Self-esteem Scale as a measure of explicit SE and an Implicit Relational Assessment Procedure as a measure of implicit SE. The State-Trait Anxiety Inventory and Patient Health Questionnaire-15 (a somatic symptom inventory) were also administered. We found significant group differences in explicit (p<0.001) but not implicit SE. Patients with PNESs reported lower SE than the other groups. No group differences were found in implicit SE. Implicit-explicit SE discrepancies were larger in the group with PNESs than in the other groups (p<0.001). Higher frequency of PNESs (but not epileptic seizures) was associated with lower explicit SE (rs=-.83, p<0.01) and greater SE discrepancies (i.e., lower explicit relative to implicit SE; rs=.65, p<0.01). These relationships remained significant when controlling for anxiety and somatization. Patients with PNESs had lower explicit SE than those with epilepsy or healthy controls. In keeping with our expectations, there were greater discrepancies between implicit SE and explicit SE among patients with PNESs than in the other groups. Our results, including the strong relationship between

The kinetic boundary layer around an absorbing sphere and the growth of small droplets

International Nuclear Information System (INIS)

Widder, M.E.; Titulaer, U.M.

1989-01-01

Deviations from the classical Smoluchowski expression for the growth rate of a droplet in a supersaturated vapor can be expected when the droplet radius is not large compared to the mean free path of a vapor molecule. The growth rate then depends significantly on the structure of the kinetic boundary layer around a sphere. The authors consider this kinetic boundary layer for a dilute system of Brownian particles. For this system a large class of boundary layer problems for a planar wall have been solved. They show how the spherical boundary layer can be treated by a perturbation expansion in the reciprocal droplet radius. In each order one has to solve a finite number of planar boundary layer problems. The first two corrections to the planar problem are calculated explicitly. For radii down to about two velocity persistence lengths (the analog of the mean free path for a Brownian particle) the successive approximations for the growth rate agree to within a few percent. A reasonable estimate of the growth rate for all radii can be obtained by extrapolating toward the exactly known value at zero radius. Kinetic boundary layer effects increase the time needed for growth from 0 to 10 (or 2 1/2) velocity persistence lengths by roughly 35% (or 175%)

Estimating kinetic mechanisms with prior knowledge I: Linear parameter constraints.

Science.gov (United States)

Salari, Autoosa; Navarro, Marco A; Milescu, Mirela; Milescu, Lorin S

2018-02-05

To understand how ion channels and other proteins function at the molecular and cellular levels, one must decrypt their kinetic mechanisms. Sophisticated algorithms have been developed that can be used to extract kinetic parameters from a variety of experimental data types. However, formulating models that not only explain new data, but are also consistent with existing knowledge, remains a challenge. Here, we present a two-part study describing a mathematical and computational formalism that can be used to enforce prior knowledge into the model using constraints. In this first part, we focus on constraints that enforce explicit linear relationships involving rate constants or other model parameters. We develop a simple, linear algebra-based transformation that can be applied to enforce many types of model properties and assumptions, such as microscopic reversibility, allosteric gating, and equality and inequality parameter relationships. This transformation converts the set of linearly interdependent model parameters into a reduced set of independent parameters, which can be passed to an automated search engine for model optimization. In the companion article, we introduce a complementary method that can be used to enforce arbitrary parameter relationships and any constraints that quantify the behavior of the model under certain conditions. The procedures described in this study can, in principle, be coupled to any of the existing methods for solving molecular kinetics for ion channels or other proteins. These concepts can be used not only to enforce existing knowledge but also to formulate and test new hypotheses. © 2018 Salari et al.

Kinetic memory based on the enzyme-limited competition.

Science.gov (United States)

Hatakeyama, Tetsuhiro S; Kaneko, Kunihiko

2014-08-01

Cellular memory, which allows cells to retain information from their environment, is important for a variety of cellular functions, such as adaptation to external stimuli, cell differentiation, and synaptic plasticity. Although posttranslational modifications have received much attention as a source of cellular memory, the mechanisms directing such alterations have not been fully uncovered. It may be possible to embed memory in multiple stable states in dynamical systems governing modifications. However, several experiments on modifications of proteins suggest long-term relaxation depending on experienced external conditions, without explicit switches over multi-stable states. As an alternative to a multistability memory scheme, we propose "kinetic memory" for epigenetic cellular memory, in which memory is stored as a slow-relaxation process far from a stable fixed state. Information from previous environmental exposure is retained as the long-term maintenance of a cellular state, rather than switches over fixed states. To demonstrate this kinetic memory, we study several models in which multimeric proteins undergo catalytic modifications (e.g., phosphorylation and methylation), and find that a slow relaxation process of the modification state, logarithmic in time, appears when the concentration of a catalyst (enzyme) involved in the modification reactions is lower than that of the substrates. Sharp transitions from a normal fast-relaxation phase into this slow-relaxation phase are revealed, and explained by enzyme-limited competition among modification reactions. The slow-relaxation process is confirmed by simulations of several models of catalytic reactions of protein modifications, and it enables the memorization of external stimuli, as its time course depends crucially on the history of the stimuli. This kinetic memory provides novel insight into a broad class of cellular memory and functions. In particular, applications for long-term potentiation are discussed

Panorama of explicit carbon pricing instruments around the world

International Nuclear Information System (INIS)

2016-09-01

In September 2016, I4CE updated its database on carbon pricing policies and published a panorama of explicit carbon pricing policies. This panorama presents an implementation timeline, a world map and a table that together, provide information on the jurisdictions that have implemented or plan to implement explicit carbon pricing policies, the type of instrument chosen, the sectors covered and the carbon prices

Kinetic mixing of the photon with hidden U(1)s in string phenomenology

International Nuclear Information System (INIS)

Abel, S.A.; Khoze, V.V.; Jaeckel, J.

2008-03-01

Embeddings of the standard model in type II string theory typically contain a variety of U(1) gauge factors arising from D-branes in the bulk. In general, there is no reason why only one of these - the one corresponding to weak hypercharge - should be massless. Observations require that standard model particles must be neutral (or have an extremely small charge) under additional massless U(1)s, i.e. the latter have to belong to a so called hidden sector. The exchange of heavy messengers, however, can lead to a kinetic mixing between the hypercharge and the hidden-sector U(1)s, that is testable with near future experiments. This provides a powerful probe of the hidden sectors and, as a consequence, of the string theory realisation itself. In the present paper, we show, using a variety of methods, how the kinetic mixing can be derived from the underlying type II string compactification, involving supersymmetric and nonsupersymmetric configurations of D-branes, both in large volumes and in warped backgrounds with fluxes. We first demonstrate by explicit example that kinetic mixing occurs in a completely supersymmetric set-up where we can use conformal field theory techniques. We then develop a supergravity approach which allows us to examine the phenomenon in more general backgrounds, where we find that kinetic mixing is natural in the context of flux compactifications. We discuss the phenomenological consequences for experiments at the low-energy frontier, searching for signatures of light, sub-electronvolt or even massless hidden-sector U(1) gauge bosons and minicharged particles. (orig.)

Kinetic mixing of the photon with hidden U(1)s in string phenomenology

Energy Technology Data Exchange (ETDEWEB)

Abel, S.A.; Khoze, V.V. [Durham Univ. (United Kingdom). Inst. for Particle Physics Phenomenology; Goodsell, M.D. [Laboratoire de Physique Theorique et Hautes Energies, Paris (France); Jaeckel, J. [Durham Univ. (United Kingdom). Inst. for Particle Physics Phenomenology]|[Heidelberg Univ. (Germany). Inst. fuer Theoretische Physik; Ringwald, A. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2008-03-15

Embeddings of the standard model in type II string theory typically contain a variety of U(1) gauge factors arising from D-branes in the bulk. In general, there is no reason why only one of these - the one corresponding to weak hypercharge - should be massless. Observations require that standard model particles must be neutral (or have an extremely small charge) under additional massless U(1)s, i.e. the latter have to belong to a so called hidden sector. The exchange of heavy messengers, however, can lead to a kinetic mixing between the hypercharge and the hidden-sector U(1)s, that is testable with near future experiments. This provides a powerful probe of the hidden sectors and, as a consequence, of the string theory realisation itself. In the present paper, we show, using a variety of methods, how the kinetic mixing can be derived from the underlying type II string compactification, involving supersymmetric and nonsupersymmetric configurations of D-branes, both in large volumes and in warped backgrounds with fluxes. We first demonstrate by explicit example that kinetic mixing occurs in a completely supersymmetric set-up where we can use conformal field theory techniques. We then develop a supergravity approach which allows us to examine the phenomenon in more general backgrounds, where we find that kinetic mixing is natural in the context of flux compactifications. We discuss the phenomenological consequences for experiments at the low-energy frontier, searching for signatures of light, sub-electronvolt or even massless hidden-sector U(1) gauge bosons and minicharged particles. (orig.)

From Explicit to Symbolic Types for Communication Protocols in CCS

DEFF Research Database (Denmark)

Nielson, Hanne Riis; Nielson, Flemming; Kreiker, Jörg

2012-01-01

We study communication protocols having several rounds and expressed in value passing CCS. We develop a type-based analysis for providing an explicit record of all communications and show the usual subject reduction result. Since the explicit records can be infinitely large, we also develop a type...

Explicitly solvable complex Chebyshev approximation problems related to sine polynomials

Science.gov (United States)

Freund, Roland

1989-01-01

Explicitly solvable real Chebyshev approximation problems on the unit interval are typically characterized by simple error curves. A similar principle is presented for complex approximation problems with error curves induced by sine polynomials. As an application, some new explicit formulae for complex best approximations are derived.

Explicit versus implicit social cognition testing in autism spectrum disorder.

Science.gov (United States)

Callenmark, Björn; Kjellin, Lars; Rönnqvist, Louise; Bölte, Sven

2014-08-01

Although autism spectrum disorder is defined by reciprocal social-communication impairments, several studies have found no evidence for altered social cognition test performance. This study examined explicit (i.e. prompted) and implicit (i.e. spontaneous) variants of social cognition testing in autism spectrum disorder. A sample of 19 adolescents with autism spectrum disorder and 19 carefully matched typically developing controls completed the Dewey Story Test. 'Explicit' (multiple-choice answering format) and 'implicit' (free interview) measures of social cognition were obtained. Autism spectrum disorder participants did not differ from controls regarding explicit social cognition performance. However, the autism spectrum disorder group performed more poorly than controls on implicit social cognition performance in terms of spontaneous perspective taking and social awareness. Findings suggest that social cognition alterations in autism spectrum disorder are primarily implicit in nature and that an apparent absence of social cognition difficulties on certain tests using rather explicit testing formats does not necessarily mean social cognition typicality in autism spectrum disorder. © The Author(s) 2013.

Stepwise crystallization and the layered distribution in crystallization kinetics of ultra-thin poly(ethylene terephthalate) film

Energy Technology Data Exchange (ETDEWEB)

Zuo, Biao, E-mail: chemizuo@zstu.edu.cn, E-mail: wxinping@yahoo.com; Xu, Jianquan; Sun, Shuzheng; Liu, Yue; Yang, Juping; Zhang, Li; Wang, Xinping, E-mail: chemizuo@zstu.edu.cn, E-mail: wxinping@yahoo.com [Department of Chemistry, Key Laboratory of Advanced Textile Materials and Manufacturing Technology of the Education Ministry, Zhejiang Sci-Tech University, Hangzhou 310018 (China)

2016-06-21

Crystallization is an important property of polymeric materials. In conventional viewpoint, the transformation of disordered chains into crystals is usually a spatially homogeneous process (i.e., it occurs simultaneously throughout the sample), that is, the crystallization rate at each local position within the sample is almost the same. Here, we show that crystallization of ultra-thin poly(ethylene terephthalate) (PET) films can occur in the heterogeneous way, exhibiting a stepwise crystallization process. We found that the layered distribution of glass transition dynamics of thin film modifies the corresponding crystallization behavior, giving rise to the layered distribution of the crystallization kinetics of PET films, with an 11-nm-thick surface layer having faster crystallization rate and the underlying layer showing bulk-like behavior. The layered distribution in crystallization kinetics results in a particular stepwise crystallization behavior during heating the sample, with the two cold-crystallization temperatures separated by up to 20 K. Meanwhile, interfacial interaction is crucial for the occurrence of the heterogeneous crystallization, as the thin film crystallizes simultaneously if the interfacial interaction is relatively strong. We anticipate that this mechanism of stepwise crystallization of thin polymeric films will allow new insight into the chain organization in confined environments and permit independent manipulation of localized properties of nanomaterials.

Multi-GPU unsteady 2D flow simulation coupled with a state-to-state chemical kinetics

Science.gov (United States)

Tuttafesta, Michele; Pascazio, Giuseppe; Colonna, Gianpiero

2016-10-01

In this work we are presenting a GPU version of a CFD code for high enthalpy reacting flow, using the state-to-state approach. In supersonic and hypersonic flows, thermal and chemical non-equilibrium is one of the fundamental aspects that must be taken into account for the accurate characterization of the plasma and state-to-state kinetics is the most accurate approach used for this kind of problems. This model consists in writing a continuity equation for the population of each vibrational level of the molecules in the mixture, determining at the same time the species densities and the distribution of the population in internal levels. An explicit scheme is employed here to integrate the governing equations, so as to exploit the GPU structure and obtain an efficient algorithm. The best performances are obtained for reacting flows in state-to-state approach, reaching speedups of the order of 100, thanks to the use of an operator splitting scheme for the kinetics equations.

Dynamic heterogeneity in life histories

DEFF Research Database (Denmark)

Tuljapurkar, Shripad; Steiner, Uli; Orzack, Steven Hecht

2009-01-01

or no fixed heterogeneity influences this trait. We propose that dynamic heterogeneity provides a 'neutral' model for assessing the possible role of unobserved 'quality' differences between individuals. We discuss fitness for dynamic life histories, and the implications of dynamic heterogeneity...... generate dynamic heterogeneity: life-history differences produced by stochastic stratum dynamics. We characterize dynamic heterogeneity in a range of species across taxa by properties of the Markov chain: the entropy, which describes the extent of heterogeneity, and the subdominant eigenvalue, which...... distributions of lifetime reproductive success. Dynamic heterogeneity contrasts with fixed heterogeneity: unobserved differences that generate variation between life histories. We show by an example that observed distributions of lifetime reproductive success are often consistent with the claim that little...

III. Heterogeneous Polymerization. Modeling of emulsion polymerization, will it ever be possible? Part 2: Determination of Basic Kinetic data over the last ten years.

NARCIS (Netherlands)

Herk, van A.M.

2009-01-01

Modeling of Emulsion polymerization processes is based on the knowledge of fundamental kinetic and thermodynamic parameters. The most important kinetic parameters are propagation and termination rate coefficients. Ten years ago a paper has been published with the title Modeling of Emulsion

A simplified kinetic and mass transfer modelling of the thermal hydrolysis of vegetable oils

DEFF Research Database (Denmark)

Forero-Hernandez, Hector Alexander; Jones, Mark Nicholas; Sarup, Bent

2017-01-01

This work presents a combined modelling approach to investigate the kinetics and masstransfer effects on the hydrolysis of vegetable oils under subcritical conditions. The primary purpose of this simplified model is to interpret experimental data collected from typical batch tests and to estimate...... parameters for the proposed model. Due to its heterogeneous nature, the hydrolysis reaction is affected not only by the chemical kinetics but also by the rate of mass transfer between the oil and water as well as their specific contact area in this two phase emulsion. Considering these properties, a model...... and improvement accompanied by Monte Carlo uncertainty analysis. Since the lack of experimental data is a crucial issue in the hydrolysis of vegetable oils, this model-based analysis of data is of substantial value to provide necessary information for detailed modeling and characterization of the process....

A realistic closed-form radiobiological model of clinical tumor-control data incorporating intertumor heterogeneity

International Nuclear Information System (INIS)

Roberts, Stephen A.; Hendry, Jolyon H.

1998-01-01

Purpose: To investigate the role of intertumor heterogeneity in clinical tumor control datasets and the relationship to in vitro measurements of tumor biopsy samples. Specifically, to develop a modified linear-quadratic (LQ) model incorporating such heterogeneity that it is practical to fit to clinical tumor-control datasets. Methods and Materials: We developed a modified version of the linear-quadratic (LQ) model for tumor control, incorporating a (lagged) time factor to allow for tumor cell repopulation. We explicitly took into account the interpatient heterogeneity in clonogen number, radiosensitivity, and repopulation rate. Using this model, we could generate realistic TCP curves using parameter estimates consistent with those reported from in vitro studies, subject to the inclusion of a radiosensitivity (or dose)-modifying factor. We then demonstrated that the model was dominated by the heterogeneity in α (tumor radiosensitivity) and derived an approximate simplified model incorporating this heterogeneity. This simplified model is expressible in a compact closed form, which it is practical to fit to clinical datasets. Using two previously analysed datasets, we fit the model using direct maximum-likelihood techniques and obtained parameter estimates that were, again, consistent with the experimental data on the radiosensitivity of primary human tumor cells. This heterogeneity model includes the same number of adjustable parameters as the standard LQ model. Results: The modified model provides parameter estimates that can easily be reconciled with the in vitro measurements. The simplified (approximate) form of the heterogeneity model is a compact, closed-form probit function that can readily be fitted to clinical series by conventional maximum-likelihood methodology. This heterogeneity model provides a slightly better fit to the datasets than the conventional LQ model, with the same numbers of fitted parameters. The parameter estimates of the clinically

Chinese Undergraduates' Explicit and Implicit Attitudes toward Persons with Disabilities

Science.gov (United States)

Chen, Shuang; Ma, Li; Zhang, Jian-Xin

2011-01-01

The present study is aimed at examining implicit and explicit attitudes toward persons with disabilities among Chinese college students. The "Implicit Association Test" was used to measure their implicit attitudes, whereas their explicit attitudes toward persons with disabilities were measured by using a scale of three items.…

Effects of species biological traits and environmental heterogeneity on simulated tree species distribution shifts under climate change.

Science.gov (United States)

Wang, Wen J; He, Hong S; Thompson, Frank R; Spetich, Martin A; Fraser, Jacob S

2018-09-01

Demographic processes (fecundity, dispersal, colonization, growth, and mortality) and their interactions with environmental changes are not well represented in current climate-distribution models (e.g., niche and biophysical process models) and constitute a large uncertainty in projections of future tree species distribution shifts. We investigate how species biological traits and environmental heterogeneity affect species distribution shifts. We used a species-specific, spatially explicit forest dynamic model LANDIS PRO, which incorporates site-scale tree species demography and competition, landscape-scale dispersal and disturbances, and regional-scale abiotic controls, to simulate the distribution shifts of four representative tree species with distinct biological traits in the central hardwood forest region of United States. Our results suggested that biological traits (e.g., dispersal capacity, maturation age) were important for determining tree species distribution shifts. Environmental heterogeneity, on average, reduced shift rates by 8% compared to perfect environmental conditions. The average distribution shift rates ranged from 24 to 200myear -1 under climate change scenarios, implying that many tree species may not able to keep up with climate change because of limited dispersal capacity, long generation time, and environmental heterogeneity. We suggest that climate-distribution models should include species demographic processes (e.g., fecundity, dispersal, colonization), biological traits (e.g., dispersal capacity, maturation age), and environmental heterogeneity (e.g., habitat fragmentation) to improve future predictions of species distribution shifts in response to changing climates. Copyright © 2018 Elsevier B.V. All rights reserved.

Thermodynamics and kinetics of phase transformation in intercalation battery electrodes - phenomenological modeling

Energy Technology Data Exchange (ETDEWEB)

Lai Wei, E-mail: laiwei@msu.ed [Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, MI 48824 (United States); Ciucci, Francesco [Heidelberg Graduate School of Mathematical and Computational Methods for the Sciences, University of Heidelberg, INF 368 D - 69120 Heidelberg (Germany)

2010-12-15

Thermodynamics and kinetics of phase transformation in intercalation battery electrodes are investigated by phenomenological models which include a mean-field lattice-gas thermodynamic model and a generalized Poisson-Nernst-Planck equation set based on linear irreversible thermodynamics. The application of modeling to a porous intercalation electrode leads to a hierarchical equivalent circuit with elements of explicit physical meanings. The equivalent circuit corresponding to the intercalation particle of planar, cylindrical and spherical symmetry is reduced to a diffusion equation with concentration dependent diffusivity. The numerical analysis of the diffusion equation suggests the front propagation behavior during phase transformation. The present treatment is also compared with the conventional moving boundary and phase field approaches.

Kinetics of varnish long-term drying process monitored by a heterogeneous optical sensor system

International Nuclear Information System (INIS)

Saccon, F A M; De Oliveira, F M D R; Ribas, M O; Zambianchi, P Jr; Muller, M; Fabris, J L

2013-01-01

The drying process of an acrylic varnish film was monitored over 24 h by a heterogeneous optical sensor system. The system employs a fibre optic transducer based on Bragg gratings and optical coherence tomography, operating respectively around 1.55 and 1.3 µm. The sensor is able to provide information about the temporal evolution of temperature, mechanical deformation, thickness and average refractive index of the coating during the drying process. Resolutions for these optically measured parameters are 0.05 °C (temperature), 0.5 µε (strain), 1.5 µm (thickness) and 0.004 (refractive index). Besides, the sensor can detect the growth of a surface dry skin and supply information about the film bulk uniformity. A model for the mass loss of solvent as the drying process evolves is also discussed. (paper)

Heterogeneous Nucleation and Growth of Nanoparticles at Environmental Interfaces.

Science.gov (United States)

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

2016-09-20

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

Subliminal mere exposure and explicit and implicit positive affective responses.

Science.gov (United States)

Hicks, Joshua A; King, Laura A

2011-06-01

Research suggests that repeated subliminal exposure to environmental stimuli enhances positive affective responses. To date, this research has primarily concentrated on the effects of repeated exposure on explicit measures of positive affect (PA). However, recent research suggests that repeated subliminal presentations may increase implicit PA as well. The present study tested this hypothesis. Participants were either subliminally primed with repeated presentations of the same stimuli or only exposed to each stimulus one time. Results confirmed predictions showing that repeated exposure to the same stimuli increased both explicit and implicit PA. Implications for the role of explicit and implicit PA in attitudinal judgements are discussed.

Recent Advances in Explicit Multiparametric Nonlinear Model Predictive Control

KAUST Repository

Domínguez, Luis F.

2011-01-19

In this paper we present recent advances in multiparametric nonlinear programming (mp-NLP) algorithms for explicit nonlinear model predictive control (mp-NMPC). Three mp-NLP algorithms for NMPC are discussed, based on which novel mp-NMPC controllers are derived. The performance of the explicit controllers are then tested and compared in a simulation example involving the operation of a continuous stirred-tank reactor (CSTR). © 2010 American Chemical Society.

Microsolvated Model for the Kinetics and Thermodynamics of Glycosidic Bond Dissociative Cleavage of Nucleoside D4G.

Science.gov (United States)

Jiang, Yang; Xue, Ying; Zeng, Yi

2018-02-15

Using the microsolvated model that involves explicit water molecules and implicit solvent in the optimization, two proposed dissociative hydrolysis mechanisms of 2',3'-didehydro-2',3'-dideoxyguanosine (d4G) have been first investigated by means of M06-2X(CPCM, water)/6-31++G(d,p) method. The glycosidic bond dissociation for the generation of the oxacarbenium ion intermediate is the rate-determining step (RDS). The subsequent nucleophilic water attack from different side of the oxacarbenium ion intermediate gives either the α-product [(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-ol] or β-product [(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-ol] and is thus referred to as α-path (inversion) and β-path (retention). Two to five explicit water molecules (n = 2-5) are considered in the microsolvated model, and n = 3 or 4 is the smallest model capable of minimizing the activation energy for α-path and β-path, respectively. Our theoretical results suggest that α-path (n = 3) is more kinetically favorable with lower free energy barrier (RDS) of 27.7 kcal mol -1 , in contrast to that of 30.7 kcal mol -1 for the β-path (n = 4). The kinetic preference of the α-path is rationalized by NBO analysis. Whereas thte β-path is more thermodynamically favorable over the α-path, where the formation of β-product and α-product are exergonic and endergonic, respectively, providing theoretical support for the experimental observation that the β-cleavage product was the major one after sufficient reaction time. Comparisons of d4G with analogous cyclo-d4G and dG from kinetic free energy barriers and thermodynamic heterolytic dissociation energies were also carried out. Our kinetic and thermodynamic results manifest that the order of glycosidic bond stability should be d4G < cyclo-d4G < dG, which agrees well with the reported experimental stability order of d4G compounds and analogues and gives further understanding on the influence of 6-cyclopropylamino and unsaturated ribose to

Interactivity and Explicit Memory Formation of Consumer Undergraduate Male Students on Internet Environment

Directory of Open Access Journals (Sweden)

George Bedinelli Rossi

2016-01-01

Full Text Available ABSTRACT This research aims to integrate the theories of Explicit Memory and Interactivity, contributing to the theoretical development of both. We investigated whether the interactivity precedes the explicit consumer memory. Data collection was carried on by sending online questionnaire to 876 undergraduate male students, with a return of 453 valid questionnaires. Data were analyzed using Structural Equation Modeling of the constructs Explicit Memory and Interactivity. The analyzes indicate that interactivity increases explicit consumer memory, filling a theoretical gap of this concept about its effects. Moreover, it is a concept related to the future, not only to the past and to present, as shown by the classical definitions. As for explicit memory, its formation results from the individual's interactions with the environment, which was not explained by classical theories. The results indicated that interactivity and explicit memory are almost independent of each other, having low correlation or almost nil.

Imaging geochemical heterogeneities using inverse reactive transport modeling: An example relevant for characterizing arsenic mobilization and distribution

DEFF Research Database (Denmark)

Fakhreddine, Sarah; Lee, Jonghyun; Kitanidis, Peter K.

2016-01-01

groundwater parameters. Specifically, we simulate the mobilization of arsenic via kinetic oxidative dissolution of As-bearing pyrite due to dissolved oxygen in the ambient groundwater, which is an important mechanism for arsenic release in groundwater both under natural conditions and engineering applications......The spatial distribution of reactive minerals in the subsurface is often a primary factor controlling the fate and transport of contaminants in groundwater systems. However, direct measurement and estimation of heterogeneously distributed minerals are often costly and difficult to obtain. While...

An explicit method in non-linear soil-structure interaction

International Nuclear Information System (INIS)

Kunar, R.R.

1981-01-01

The explicit method of analysis in the time domain is ideally suited for the solution of transient dynamic non-linear problems. Though the method is not new, its application to seismic soil-structure interaction is relatively new and deserving of public discussion. This paper describes the principles of the explicit approach in soil-structure interaction and it presents a simple algorithm that can be used in the development of explicit computer codes. The paper also discusses some of the practical considerations like non-reflecting boundaries and time steps. The practicality of the method is demonstrated using a computer code, PRESS, which is used to compare the treatment of strain-dependent properties using average strain levels over the whole time history (the equivalent linear method) and using the actual strain levels at every time step to modify the soil properties (non-linear method). (orig.)

Antichrist, Explicit Sex, Anxiety, and Care

DEFF Research Database (Denmark)

Grodal, Torben Kragh

2015-01-01

The article analyzes how von Trier's Antichrist uses explicit sex to discuss the relation between fear of human embodiment and a longing for care and spiritual intimacy. It discusses how lyrical episodes contrasts descriptions of embodied degradation and experiences of being imprisoned in the body....

Narcissistic Traits and Explicit Self-Esteem: The Moderating Role of Implicit Self-view

Directory of Open Access Journals (Sweden)

Rossella Di Pierro

2016-11-01

Full Text Available Objective: Whilst the relationship between narcissism and self-esteem has been studied for a long time, findings are still controversial. The majority of studies investigated narcissistic grandiosity, neglecting the existence of vulnerable manifestations of narcissism. Moreover, recent studies have shown that grandiosity traits are not always associated with inflated explicit self-esteem. The aim of the present study is to investigate the relationship between narcissistic traits and explicit self-esteem, distinguishing between grandiosity and vulnerability. Moreover, we consider the role of implicit self-esteem in qualifying these associations.Method: Narcissistic traits, explicit and implicit self-esteem measures were assessed among 120 university students (55.8% women, Mage = 22.55, SD = 3.03.Results: Results showed different patterns of association between narcissistic traits and explicit self-esteem, depending on phenotypic manifestations of narcissism. Narcissistic vulnerability was linked to low explicit self-evaluations regardless of one’s levels of implicit self-esteem. On the other hand, the link between narcissistic grandiosity and explicit self-esteem was qualified by levels of implicit self-views, such that grandiosity was significantly associated with inflated explicit self-evaluations only at either high or medium levels of implicit self-views.Discussion: These findings showed that the relationship between narcissistic traits and explicit self-esteem is not univocal, highlighting the importance of distinguishing between narcissistic grandiosity and narcissistic vulnerability. Finally, the study suggested that both researchers and clinicians should consider the relevant role of implicit self-views in conditioning self-esteem levels reported explicitly by individuals with grandiose narcissistic traits.

Narcissistic Traits and Explicit Self-Esteem: The Moderating Role of Implicit Self-View

Science.gov (United States)

Di Pierro, Rossella; Mattavelli, Simone; Gallucci, Marcello

2016-01-01

Objective: Whilst the relationship between narcissism and self-esteem has been studied for a long time, findings are still controversial. The majority of studies investigated narcissistic grandiosity (NG), neglecting the existence of vulnerable manifestations of narcissism. Moreover, recent studies have shown that grandiosity traits are not always associated with inflated explicit self-esteem. The aim of the present study is to investigate the relationship between narcissistic traits and explicit self-esteem, distinguishing between grandiosity and vulnerability. Moreover, we consider the role of implicit self-esteem in qualifying these associations. Method: Narcissistic traits, explicit and implicit self-esteem measures were assessed among 120 university students (55.8% women, Mage = 22.55, SD = 3.03). Results: Results showed different patterns of association between narcissistic traits and explicit self-esteem, depending on phenotypic manifestations of narcissism. Narcissistic vulnerability (NV) was linked to low explicit self-evaluations regardless of one’s levels of implicit self-esteem. On the other hand, the link between NG and explicit self-esteem was qualified by levels of implicit self-views, such that grandiosity was significantly associated with inflated explicit self-evaluations only at either high or medium levels of implicit self-views. Discussion: These findings showed that the relationship between narcissistic traits and explicit self-esteem is not univocal, highlighting the importance of distinguishing between NG and NV. Finally, the study suggested that both researchers and clinicians should consider the relevant role of implicit self-views in conditioning self-esteem levels reported explicitly by individuals with grandiose narcissistic traits. PMID:27920739

Narcissistic Traits and Explicit Self-Esteem: The Moderating Role of Implicit Self-View.

Science.gov (United States)

Di Pierro, Rossella; Mattavelli, Simone; Gallucci, Marcello

2016-01-01

Objective: Whilst the relationship between narcissism and self-esteem has been studied for a long time, findings are still controversial. The majority of studies investigated narcissistic grandiosity (NG), neglecting the existence of vulnerable manifestations of narcissism. Moreover, recent studies have shown that grandiosity traits are not always associated with inflated explicit self-esteem. The aim of the present study is to investigate the relationship between narcissistic traits and explicit self-esteem, distinguishing between grandiosity and vulnerability. Moreover, we consider the role of implicit self-esteem in qualifying these associations. Method: Narcissistic traits, explicit and implicit self-esteem measures were assessed among 120 university students (55.8% women, M age = 22.55, SD = 3.03). Results: Results showed different patterns of association between narcissistic traits and explicit self-esteem, depending on phenotypic manifestations of narcissism. Narcissistic vulnerability (NV) was linked to low explicit self-evaluations regardless of one's levels of implicit self-esteem. On the other hand, the link between NG and explicit self-esteem was qualified by levels of implicit self-views, such that grandiosity was significantly associated with inflated explicit self-evaluations only at either high or medium levels of implicit self-views. Discussion: These findings showed that the relationship between narcissistic traits and explicit self-esteem is not univocal, highlighting the importance of distinguishing between NG and NV. Finally, the study suggested that both researchers and clinicians should consider the relevant role of implicit self-views in conditioning self-esteem levels reported explicitly by individuals with grandiose narcissistic traits.

Accounting for the Decreasing Reaction Potential of Heterogeneous Aquifers in a Stochastic Framework of Aquifer-Scale Reactive Transport

Science.gov (United States)

Loschko, Matthias; Wöhling, Thomas; Rudolph, David L.; Cirpka, Olaf A.

2018-01-01

Many groundwater contaminants react with components of the aquifer matrix, causing a depletion of the aquifer's reactivity with time. We discuss conceptual simplifications of reactive transport that allow the implementation of a decreasing reaction potential in reactive-transport simulations in chemically and hydraulically heterogeneous aquifers without relying on a fully explicit description. We replace spatial coordinates by travel-times and use the concept of relative reactivity, which represents the reaction-partner supply from the matrix relative to a reference. Microorganisms facilitating the reactions are not explicitly modeled. Solute mixing is neglected. Streamlines, obtained by particle tracking, are discretized in travel-time increments with variable content of reaction partners in the matrix. As exemplary reactive system, we consider aerobic respiration and denitrification with simplified reaction equations: Dissolved oxygen undergoes conditional zero-order decay, nitrate follows first-order decay, which is inhibited in the presence of dissolved oxygen. Both reactions deplete the bioavailable organic carbon of the matrix, which in turn determines the relative reactivity. These simplifications reduce the computational effort, facilitating stochastic simulations of reactive transport on the aquifer scale. In a one-dimensional test case with a more detailed description of the reactions, we derive a potential relationship between the bioavailable organic-carbon content and the relative reactivity. In a three-dimensional steady-state test case, we use the simplified model to calculate the decreasing denitrification potential of an artificial aquifer over 200 years in an ensemble of 200 members. We demonstrate that the uncertainty in predicting the nitrate breakthrough in a heterogeneous aquifer decreases with increasing scale of observation.

Introduction to the Explicit Finite Element Method for Nonlinear Transient Dynamics

CERN Document Server

Wu, Shen R

2012-01-01

A systematic introduction to the theories and formulations of the explicit finite element method As numerical technology continues to grow and evolve with industrial applications, understanding the explicit finite element method has become increasingly important, particularly in the areas of crashworthiness, metal forming, and impact engineering. Introduction to the Explicit FiniteElement Method for Nonlinear Transient Dynamics is the first book to address specifically what is now accepted as the most successful numerical tool for nonlinear transient dynamics. The book aids readers in master

Exact correlated kinetic energy related to the electron density for two-electron model atoms with harmonic confinement

International Nuclear Information System (INIS)

March, Norman H.; Akbari, Ali; Rubio, Angel

2007-01-01

For arbitrary interparticle interaction u(r 12 ), the model two-electron atom in the title is shown to be such that the ground-state electron density ρ(r) is determined uniquely by the correlated kinetic energy density t R (r) of the relative motion. Explicit results for t R (r) are presented for the Hookean atom with force constant k=1/4, and also for u(r 12 )=(λ)/(r 12 2 ) . Possible relevance of the Hookean atom treatment to the ground state of the helium atom itself is briefly discussed

Cesium removal and kinetics equilibrium: Precipitation kinetics

International Nuclear Information System (INIS)

Barnes, M.J.

1999-01-01

This task consisted of both non-radioactive and radioactive (tracer) tests examining the influence of potentially significant variables on cesium tetraphenylborate precipitation kinetics. The work investigated the time required to reach cesium decontamination and the conditions that affect the cesium precipitation kinetics

A test of the survival processing advantage in implicit and explicit memory tests.

Science.gov (United States)

McBride, Dawn M; Thomas, Brandon J; Zimmerman, Corinne

2013-08-01

The present study was designed to investigate the survival processing effect (Nairne, Thompson, & Pandeirada, Journal of Experimental Psychology: Learning, Memory, and Cognition, 33, 263-273, 2007) in cued implicit and explicit memory tests. The survival effect has been well established in explicit free recall and recognition tests, but has not been evident in implicit memory tests or in cued explicit tests. In Experiment 1 of the present study, we tested implicit and explicit memory for words studied in survival, moving, or pleasantness contexts in stem completion tests. In Experiment 2, we further tested these effects in implicit and explicit category production tests. Across the two experiments, with four separate memory tasks that included a total of 525 subjects, no survival processing advantage was found, replicating the results from implicit tests reported by Tse and Altarriba (Memory & Cognition, 38, 1110-1121, 2010). Thus, although the survival effect appears to be quite robust in free recall and recognition tests, it has not been replicated in cued implicit and explicit memory tests. The similar results found for the implicit and explicit tests in the present study do not support encoding elaboration explanations of the survival processing effect.

Gender Differences in Implicit and Explicit Memory for Affective Passages

Science.gov (United States)

Burton, Leslie A.; Rabin, Laura; Vardy, Susan Bernstein.; Frohlich, Jonathan; Wyatt, Gwinne; Dimitri, Diana; Constante, Shimon; Guterman, Elan

2004-01-01

Thirty-two participants were administered 4 verbal tasks, an Implicit Affective Task, an Implicit Neutral Task, an Explicit Affective Task, and an Explicit Neutral Task. For the Implicit Tasks, participants were timed while reading passages aloud as quickly as possible, but not so quickly that they did not understand. A target verbal passage was…

Heterogeneous dissolution kinetics as a method of the granulometric analysis of polydispersed solids

International Nuclear Information System (INIS)

Melichar, F.; Pourova, D.; Simova, L.; Zvonickova, J.

1976-05-01

The principles of determining the granulometric composition of polydisperse solids from kinetic data on the solubilities thereof are given in the theoretical part of the report. The conditions are stated under which characteristic curves (equations) may be determined. These equations define the relationship between the dissolved polydisperse fraction and the relative decrease of the characteristic size of the polydisperse particles. The characteristic curves are specific for the given granulometric polydispersion state. The experimentally determined characteristic curves, which are expressed analytically by means of an equivalent function, are analyzed using three independent methods, which make it possible to determine the granulometric composition of the dissolved polydispersion: the method of the ''reversed geometrical model'', the Akselrud model method, the granulometric atlas method. The granulometric compositions determined by these methods are compared and discussed. The methods proposed may be considered as further applicable methods in the granulometric particle analysis within the size range of 1 to 700 μm defining predominantly the granulometric spectrum of the primary dispersion, i.e. the deagglomerated particles. (author)

Heterogeneous Single-Atom Catalyst for Visible-Light-Driven High-Turnover CO2 Reduction: The Role of Electron Transfer.

Science.gov (United States)

Gao, Chao; Chen, Shuangming; Wang, Ying; Wang, Jiawen; Zheng, Xusheng; Zhu, Junfa; Song, Li; Zhang, Wenkai; Xiong, Yujie

2018-03-01

Visible-light-driven conversion of CO 2 into chemical fuels is an intriguing approach to address the energy and environmental challenges. In principle, light harvesting and catalytic reactions can be both optimized by combining the merits of homogeneous and heterogeneous photocatalysts; however, the efficiency of charge transfer between light absorbers and catalytic sites is often too low to limit the overall photocatalytic performance. In this communication, it is reported that the single-atom Co sites coordinated on the partially oxidized graphene nanosheets can serve as a highly active and durable heterogeneous catalyst for CO 2 conversion, wherein the graphene bridges homogeneous light absorbers with single-atom catalytic sites for the efficient transfer of photoexcited electrons. As a result, the turnover number for CO production reaches a high value of 678 with an unprecedented turnover frequency of 3.77 min -1 , superior to those obtained with the state-of-the-art heterogeneous photocatalysts. This work provides fresh insights into the design of catalytic sites toward photocatalytic CO 2 conversion from the angle of single-atom catalysis and highlights the role of charge kinetics in bridging the gap between heterogeneous and homogeneous photocatalysts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Explicit expression for effective moment of inertia of RC beams

Directory of Open Access Journals (Sweden)

K.A. Patel

Full Text Available AbstractDeflection is an important design parameter for structures subjected to service load. This paper provides an explicit expression for effective moment of inertia considering cracking, for uniformly distributed loaded reinforced concrete (RC beams. The proposed explicit expression can be used for rapid prediction of short-term deflection at service load. The explicit expression has been obtained from the trained neural network considering concrete cracking, tension stiffening and entire practical range of reinforcement. Three significant structural parameters have been identified that govern the change in effective moment of inertia and therefore deflection. These three parameters are chosen as inputs to train neural network. The training data sets for neural network are generated using finite element software ABAQUS. The explicit expression has been validated for a number of simply supported and continuous beams and it is shown that the predicted deflections have reasonable accuracy for practical purpose. A sensitivity analysis has been performed, which indicates substantial dependence of effective moment of inertia on the selected input parameters.

EXPLICIT AND IMPLICIT TYPES OF CORRECTIVE FEEDBACK IN TURKISH PRIMARY EDUCATION

Directory of Open Access Journals (Sweden)

M. Pınar BABANOĞLU

2015-08-01

Full Text Available Corrective feedback (CF has become a significant notion in EFL learning as it is seen as a facilitator to enhance L2 learning. CF is basically refer to any feedback provided to learner containing evidence of learner error of language form (Russel & Spada, 2006, or an immediate response by teacher to learner utterances containing error explained which is also theoretically a complex phenomenon with several functions (Lyster, et.al., 2012. A distinction can be drawn whether CF types are being implicit or explicit that there is not a clear indication of error in implicit CF whereas there is in explicit CF types. This study investigates the explicit and implicit CF types used by teachers in EFL classrooms in primary levels aiming at to see whether there are quantitative differences in the preference of CF types being explicit/implicit. Data of the study gathered from EFL classroom teachers’ course session observations at various levels of primary school. Methodology depends on frequency analysis of CF types employed by teachers during EFL course sessions. Results favored explicit CF types by teachers during EFL sessions.

Heterogeneous cellular networks

CERN Document Server

Hu, Rose Qingyang

2013-01-01

A timely publication providing coverage of radio resource management, mobility management and standardization in heterogeneous cellular networks The topic of heterogeneous cellular networks has gained momentum in industry and the research community, attracting the attention of standardization bodies such as 3GPP LTE and IEEE 802.16j, whose objectives are looking into increasing the capacity and coverage of the cellular networks. This book focuses on recent progresses,  covering the related topics including scenarios of heterogeneous network deployment, interference management i

Understanding and making practice explicit

Directory of Open Access Journals (Sweden)

Gráinne Conole

2006-12-01

Full Text Available This issue contains four, on the face of it, quite different papers, but on looking a little closer there are a number of interesting themes running through them that illustrate some of the key methodological and theoretical issues that e-learning researchers are currently struggling with; central to these is the issue of how do we understand and make practice explicit?

Labelled Lambda-calculi with Explicit Copy and Erase

Directory of Open Access Journals (Sweden)

Maribel Fernández

2010-03-01

Full Text Available We present two rewriting systems that define labelled explicit substitution lambda-calculi. Our work is motivated by the close correspondence between Levy's labelled lambda-calculus and paths in proof-nets, which played an important role in the understanding of the Geometry of Interaction. The structure of the labels in Levy's labelled lambda-calculus relates to the multiplicative information of paths; the novelty of our work is that we design labelled explicit substitution calculi that also keep track of exponential information present in call-by-value and call-by-name translations of the lambda-calculus into linear logic proof-nets.

Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model

International Nuclear Information System (INIS)

Gelß, Patrick; Matera, Sebastian; Schütte, Christof

2016-01-01

In multiscale modeling of heterogeneous catalytic processes, one crucial point is the solution of a Markovian master equation describing the stochastic reaction kinetics. Usually, this is too high-dimensional to be solved with standard numerical techniques and one has to rely on sampling approaches based on the kinetic Monte Carlo method. In this study we break the curse of dimensionality for the direct solution of the Markovian master equation by exploiting the Tensor Train Format for this purpose. The performance of the approach is demonstrated on a first principles based, reduced model for the CO oxidation on the RuO 2 (110) surface. We investigate the complexity for increasing system size and for various reaction conditions. The advantage over the stochastic simulation approach is illustrated by a problem with increased stiffness.

Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model

Science.gov (United States)

Gelß, Patrick; Matera, Sebastian; Schütte, Christof

2016-06-01

In multiscale modeling of heterogeneous catalytic processes, one crucial point is the solution of a Markovian master equation describing the stochastic reaction kinetics. Usually, this is too high-dimensional to be solved with standard numerical techniques and one has to rely on sampling approaches based on the kinetic Monte Carlo method. In this study we break the curse of dimensionality for the direct solution of the Markovian master equation by exploiting the Tensor Train Format for this purpose. The performance of the approach is demonstrated on a first principles based, reduced model for the CO oxidation on the RuO2(110) surface. We investigate the complexity for increasing system size and for various reaction conditions. The advantage over the stochastic simulation approach is illustrated by a problem with increased stiffness.

Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model

Energy Technology Data Exchange (ETDEWEB)

Gelß, Patrick, E-mail: p.gelss@fu-berlin.de; Matera, Sebastian, E-mail: matera@math.fu-berlin.de; Schütte, Christof, E-mail: schuette@mi.fu-berlin.de

2016-06-01

In multiscale modeling of heterogeneous catalytic processes, one crucial point is the solution of a Markovian master equation describing the stochastic reaction kinetics. Usually, this is too high-dimensional to be solved with standard numerical techniques and one has to rely on sampling approaches based on the kinetic Monte Carlo method. In this study we break the curse of dimensionality for the direct solution of the Markovian master equation by exploiting the Tensor Train Format for this purpose. The performance of the approach is demonstrated on a first principles based, reduced model for the CO oxidation on the RuO{sub 2}(110) surface. We investigate the complexity for increasing system size and for various reaction conditions. The advantage over the stochastic simulation approach is illustrated by a problem with increased stiffness.

Pre-steady-state Kinetics for Hydrolysis of Insoluble Cellulose by Cellobiohydrolase Cel7A

DEFF Research Database (Denmark)

Cruys-Bagger, Nicolaj; Olsen, Jens Elmerdahl; Præstgaard, Eigil

2012-01-01

The transient kinetic behavior of enzyme reactions prior to the establishment of steady state is a major source of mechanistic information, yet this approach has not been utilized for cellulases acting on their natural substrate, insoluble cellulose. Here, we elucidate the pre-steady-state regime...... for the exo-acting cellulase Cel7A using amperometric biosensors and an explicit model for processive hydrolysis of cellulose. This analysis allows the identification of a pseudo-steady-state period and quantification of a processivity number as well as rate constants for the formation of a threaded enzyme...... to unveil fundamental reasons for the distinctive variability in hydrolytic activity found in different cellulase-substrate systems....

Product and Process Perspectives: an Empirical Study of Explicitation in Chinese-English Translation

Science.gov (United States)

Fan, Zhewei

2012-01-01

Product-and process-oriented, this dissertation focuses on both the explicitness in translated texts and the implementation of explicitation in Chinese-English translation. In doing so, it provides a new cognitive framework for understanding explicitation as a strategic process. A specially designed study of the translation process facilitates the…

Characterization and radionuclides sorption of suspended particulate matters in freshwater according to their settling kinetics

International Nuclear Information System (INIS)

Brach-Papa, C.; Boyer, P.; Amielh, M.; Anselmet, F.

2004-01-01

In freshwater, the transfers of radionuclides depend both on exchanges between liquid and solid phases and on mass transfers between suspended matter and bottom sediment. Whereas the former ones depend on chemical processes (such as sorption/desorption, complexation, the latter ones are regulated by hydrological and sedimentary considerations (dispersion, erosion, deposit closely related to the interactions between flow, suspended matter and bed sediment. Some of our previous studies highlight the need to consider the matter heterogeneity and its specific sediment dynamics to correctly report the inhomogeneity of fluxes in time and in space. These considerations lead us to develop experimental methods to distinguish the different matter classes, present in natural water, mainly according to their erosion threshold and settling kinetics. In this context, this paper presents the experimental protocol TALISMEN to characterize a natural bulk suspension according the identification of its main settling kinetics groups. In a first step, this identification is achieved by the use of a settling tank, that allows the monitoring of the suspended solid concentration at various depths, combined to a vertical mono-dimensional settling model applying a multi-class approach. In a second step, the particle groups are isolated and their physico-chemical properties are determined ( i.e mineral composition, specific surface area, particulate organic carbon, in order to fully characterized them. In a last one, the sorption property of each group toward radionuclides is determined by the measurements of its distribution coefficients (Kd). The results confirm the interest to consider these heterogeneities for the modelling of the radionuclides transfer in freshwater. From one group to other, these heterogeneities appear at two levels: 1) their sediment dynamics and 2) their radionuclides sorption properties. These conclusions can be equally applying to others xenobiotics as heavy metals

Environmental dynamics of metal oxide nanoparticles in heterogeneous systems: A review

International Nuclear Information System (INIS)

Joo, Sung Hee; Zhao, Dongye

2017-01-01

Highlights: • Influence of contaminants on the mobility of metal oxide nanoparticles (MNPs). • Synergistic effects of MNPs in the presence of contaminants. • Effect of environmental factors on the transformed MNPs. • Research direction on the toxicity modeling assessment of heterogeneous systems. - Abstract: Metal oxide nanoparticles (MNPs) have been used for many purposes including water treatment, health, cosmetics, electronics, food packaging, and even food products. As their applications continue to expand, concerns have been mounting about the environmental fate and potential health risks of the nanoparticles in the environment. Based on the latest information, this review provides an overview of the factors that affect the fate, transformation and toxicity of MNPs. Emphasis is placed on the effects of various aquatic contaminants under various environmental conditions on the transformation of metal oxides and their transport kinetics – both in homogeneous and heterogeneous systems – and the effects of contaminants on the toxicity of MNPs. The presence of existing contaminants decreases bioavailability through hetero-aggregation, sorption, and/or complexation upon an interaction with MNPs. Contaminants also influence the fate and transport of MNPs and exhibit their synergistic toxic effects that contribute to the extent of the toxicity. This review will help regulators, engineers, and scientists in this field to understand the latest development on MNPs, their interactions with aquatic contaminants as well as the environmental dynamics of their fate and transformation. The knowledge gap and future research needs are also identified, and the challenges in assessing the environmental fate and transport of nanoparticles in heterogeneous systems are discussed.

Environmental dynamics of metal oxide nanoparticles in heterogeneous systems: A review

Energy Technology Data Exchange (ETDEWEB)

Joo, Sung Hee, E-mail: s.joo1@miami.edu [Department of Civil, Architectural, and Environmental Engineering, University of Miami, 1251 Memorial Dr. McArthur Engineering Building, Coral Gables, FL 33146-0630 (United States); Zhao, Dongye [Department of Civil and Environmental Engineering, 238 Harbert Engineering Center, Auburn University, Auburn, AL 36849 (United States)

2017-01-15

Highlights: • Influence of contaminants on the mobility of metal oxide nanoparticles (MNPs). • Synergistic effects of MNPs in the presence of contaminants. • Effect of environmental factors on the transformed MNPs. • Research direction on the toxicity modeling assessment of heterogeneous systems. - Abstract: Metal oxide nanoparticles (MNPs) have been used for many purposes including water treatment, health, cosmetics, electronics, food packaging, and even food products. As their applications continue to expand, concerns have been mounting about the environmental fate and potential health risks of the nanoparticles in the environment. Based on the latest information, this review provides an overview of the factors that affect the fate, transformation and toxicity of MNPs. Emphasis is placed on the effects of various aquatic contaminants under various environmental conditions on the transformation of metal oxides and their transport kinetics – both in homogeneous and heterogeneous systems – and the effects of contaminants on the toxicity of MNPs. The presence of existing contaminants decreases bioavailability through hetero-aggregation, sorption, and/or complexation upon an interaction with MNPs. Contaminants also influence the fate and transport of MNPs and exhibit their synergistic toxic effects that contribute to the extent of the toxicity. This review will help regulators, engineers, and scientists in this field to understand the latest development on MNPs, their interactions with aquatic contaminants as well as the environmental dynamics of their fate and transformation. The knowledge gap and future research needs are also identified, and the challenges in assessing the environmental fate and transport of nanoparticles in heterogeneous systems are discussed.

Norepinephrine metabolism in humans. Kinetic analysis and model

International Nuclear Information System (INIS)

Linares, O.A.; Jacquez, J.A.; Zech, L.A.; Smith, M.J.; Sanfield, J.A.; Morrow, L.A.; Rosen, S.G.; Halter, J.B.

1987-01-01

The present study was undertaken to quantify more precisely and to begin to address the problem of heterogeneity of the kinetics of distribution and metabolism of norepinephrine (NE) in humans, by using compartmental analysis. Steady-state NE specific activity in arterialized plasma during [ 3 H]NE infusion and postinfusion plasma disappearance of [ 3 H]NE were measured in eight healthy subjects in the supine and upright positions. Two exponentials were clearly identified in the plasma [ 3 H]NE disappearance curves of each subject studied in the supine (r = 0.94-1.00, all P less than 0.01) and upright (r = 0.90-0.98, all P less than 0.01) positions. A two-compartment model was the minimal model necessary to simultaneously describe the kinetics of NE in the supine and upright positions. The NE input rate into the extravascular compartment 2, estimated with the minimal model, increased with upright posture (1.87 +/- 0.08 vs. 3.25 +/- 0.2 micrograms/min per m2, P less than 0.001). Upright posture was associated with a fall in the volume of distribution of NE in compartment 1 (7.5 +/- 0.6 vs. 4.7 +/- 0.3 liters, P less than 0.001), and as a result of that, there was a fall in the metabolic clearance rate of NE from compartment 1 (1.80 +/- 0.11 vs. 1.21 +/- 0.08 liters/min per m2, P less than 0.001). We conclude that a two-compartment model is the minimal model that can accurately describe the kinetics of distribution and metabolism of NE in humans

An Efficient Explicit-time Description Method for Timed Model Checking

Directory of Open Access Journals (Sweden)

Hao Wang

2009-12-01

Full Text Available Timed model checking, the method to formally verify real-time systems, is attracting increasing attention from both the model checking community and the real-time community. Explicit-time description methods verify real-time systems using general model constructs found in standard un-timed model checkers. Lamport proposed an explicit-time description method using a clock-ticking process (Tick to simulate the passage of time together with a group of global variables to model time requirements. Two methods, the Sync-based Explicit-time Description Method using rendezvous synchronization steps and the Semaphore-based Explicit-time Description Method using only one global variable were proposed; they both achieve better modularity than Lamport's method in modeling the real-time systems. In contrast to timed automata based model checkers like UPPAAL, explicit-time description methods can access and store the current time instant for future calculations necessary for many real-time systems, especially those with pre-emptive scheduling. However, the Tick process in the above three methods increments the time by one unit in each tick; the state spaces therefore grow relatively fast as the time parameters increase, a problem when the system's time period is relatively long. In this paper, we propose a more efficient method which enables the Tick process to leap multiple time units in one tick. Preliminary experimental results in a high performance computing environment show that this new method significantly reduces the state space and improves both the time and memory efficiency.

The kinetics of formation and transformation of silver atoms on solid surfaces subjected to ionizing irradiation

International Nuclear Information System (INIS)

Popovich, G.M.

1988-01-01

The paper discusses the results obtained in ESR-assisted studies of the kinetics of formation and transformation of silver atoms generated by γ-irradiation of silver-containing carriers. Three types of dependences have been established: (1) extreme; (2) saturation curves and (3) step-like. All the kinetic curves display, after a definite period of time, stable concentrations of adsorbed silver atoms per unit of the surface at a given temperature. Depending on the temperature of the experiment, the composition and nature of the carrier, the number of adsorbed silver ions, the irradiation dose and conditions of the experiment, a stable concentration of silver atoms at a given temperature may be equal to, higher or lower than the number of silver atoms measured immediately after γ-irradiation at a temperature of liquid nitrogen. A kinetic scheme is proposed to explain the obtained curves. The model suggests that the silver atoms adsorbed on the surface, as well as those formed after γ-irradiation, are bonded to the surface by various energies, which are related to heterogeneity of the carrier surface. (author)

Kinetic experiments and modeling of NO oxidation and SCR of NOx with decane over Cu- and Fe-MFI catalysts

Czech Academy of Sciences Publication Activity Database

Čapek, Libor; Vradman, L.; Sazama, Petr; Herskowitz, M.; Wichterlová, Blanka; Zukerman, R.; Brosius, R.; Martens, J. A.

2007-01-01

Roč. 70, 1-4 (2007), s. 53-57 ISSN 0926-3373 Grant - others:European Union(XE) GR5D-CT 2001-00595 Institutional research plan: CEZ:AV0Z40400503 Source of funding: O - operačné programy Keywords : NO oxidation * Nox reduction with hydrocarbons * heterogeneous kinetic s * iron zeolite Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.651, year: 2007

Severity of explicit memory impairment due to Alzheimer's disease improves effectiveness of implicit learning.

Science.gov (United States)

Klimkowicz-Mrowiec, Aleksandra; Slowik, Agnieszka; Krzywoszanski, Lukasz; Herzog-Krzywoszanska, Radosława; Szczudlik, Andrzej

2008-04-01

Consistent evidence from human and experimental animals studies indicates that memory is organized into two relatively independent systems with different functions and brain mechanisms. The explicit memory system, dependent on the hippocampus and adjacent medial temporal lobe structures, refers to conscious knowledge acquisition and intentional recollection of previous experiences. The implicit memory system, dependent on the striatum, refers to learning of complex information without awareness or intention. The functioning of implicit memory can be observed in progressive, gradual improvement across many trials in performance on implicit learning tasks. The influence of explicit memory on implicit memory has not been precisely identified yet. According to data from some studies, explicit memory seems to exhibit no influence on implicit memory,whereas the other studies indicate that explicit memory may inhibit or facilitate implicit memory. The analysis of performance on implicit learning tasks in patients with different severity of explicit memory impairment due to Alzheimer's disease allows one to identify the potential influence of the explicit memory system on the implicit memory system. 51 patients with explicit memory impairment due to Alzheimer's disease (AD) and 36 healthy controls were tested. Explicit memory was examined by means of a battery of neuropsychological tests. Implicit habit learning was examined on probabilistic classification task (weather prediction task). Patients with moderate explicit memory impairment performed the implicit task significantly better than those with mild AD and controls. Results of our study support the hypothesis of competition between the implicit and explicit memory systems in humans.

Study of decomposition kinetics of volatile β-diketonates of yttrium, barium and copper in flow reactor

International Nuclear Information System (INIS)

Devyatykh, G.G.; Gavrishchuk, E.M.; Gibin, A.M.; Dadanov, A.Yu.; Dzyubenko, N.G.; Kaul', A.R.; Nichiporuk, R.V.; Snezhko, N.T.; Ul'yanov, A.A.

1990-01-01

Heterogeneous oxidative decomposition of adduct of yttrium acetylacetonate with o-phenanthroline, copper acetylacetonate and barium dipivaloylmethanate in a flow-type reactor was carried out. The basic kinetic characteristics of chemical precipitation processes of films of yttrium, copper and barium oxides, which are components of high-temperature superconductors, were obtained. The values of activation energy of precipitation process of yttrium, copper and barium oxides constituted 76±10, 108±15, 81±12 (t 600 deg C) respectively

Shape-Controlled Synthesis of Colloidal Metal Nanocrystals: Thermodynamic versus Kinetic Products.

Science.gov (United States)

Xia, Younan; Xia, Xiaohu; Peng, Hsin-Chieh

2015-07-01

This Perspective provides a contemporary understanding of the shape evolution of colloidal metal nanocrystals under thermodynamically and kinetically controlled conditions. It has been extremely challenging to investigate this subject in the setting of one-pot synthesis because both the type and number of seeds involved would be changed whenever the experimental conditions are altered, making it essentially impossible to draw conclusions when comparing the outcomes of two syntheses conducted under different conditions. Because of the uncertainty about seeds, most of the mechanistic insights reported in literature for one-pot syntheses of metal nanocrystals with different shapes are either incomplete or ambiguous, and some of them might be misleading or even wrong. Recently, with the use of well-defined seeds for such syntheses, it became possible to separate growth from nucleation and therefore investigate the explicit role(s) played by a specific thermodynamic or kinetic parameter in directing the evolution of colloidal metal nanocrystals into a specific shape. Starting from single-crystal seeds enclosed by a mix of {100}, {111}, and {110} facets, for example, one can obtain colloidal nanocrystals with diversified shapes by adjusting various thermodynamic or kinetic parameters. The mechanistic insights learnt from these studies can also be extended to account for the products of conventional one-pot syntheses that involve self-nucleation only. The knowledge can be further applied to many other types of seeds with twin defects or stacking faults, making it an exciting time to design and synthesize colloidal metal nanocrystals with the shapes sought for a variety of fundamental studies and technologically important applications.

Age Differences in Explicit and Implicit Age Attitudes Across the Life Span.

Science.gov (United States)

Chopik, William J; Giasson, Hannah L

2017-08-01

Biased judgments about others can operate both within and outside of our conscious awareness. However, little attention has been paid to how implicit and explicit attitudes differ across the life span, particularly with respect to age bias. In the current study, we examined age differences in implicit and explicit attitudes towards older individuals. Participants (N = 704,151) ranging from age 15 to 94 completed the Implicit Association Test and explicit self-report measures of bias against older adults. The associations between age bias and several demographic characteristics (e.g., gender, education) were also examined. A preference for younger people was found among participants of all ages; however, implicit and explicit attitudes showed divergent associations with age. Implicit preference for younger people was highest among older adults; explicit preference for younger people was lowest among older adults. Examining age differences in implicit and explicit attitudes sheds light into the development and complexities of aging perceptions in different age groups. The current study's findings are discussed in the context of applications to and implications of reducing prejudice toward older adults. © The Author 2017. Published by Oxford University Press on behalf of The Gerontological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling

Science.gov (United States)

Sutton, Jonathan E.; Guo, Wei; Katsoulakis, Markos A.; Vlachos, Dionisios G.

2016-04-01

Kinetic models based on first principles are becoming common place in heterogeneous catalysis because of their ability to interpret experimental data, identify the rate-controlling step, guide experiments and predict novel materials. To overcome the tremendous computational cost of estimating parameters of complex networks on metal catalysts, approximate quantum mechanical calculations are employed that render models potentially inaccurate. Here, by introducing correlative global sensitivity analysis and uncertainty quantification, we show that neglecting correlations in the energies of species and reactions can lead to an incorrect identification of influential parameters and key reaction intermediates and reactions. We rationalize why models often underpredict reaction rates and show that, despite the uncertainty being large, the method can, in conjunction with experimental data, identify influential missing reaction pathways and provide insights into the catalyst active site and the kinetic reliability of a model. The method is demonstrated in ethanol steam reforming for hydrogen production for fuel cells.

Syntheses of organic compounds in the presence of the fused iron catalyst and their mechanisms and kinetics

Science.gov (United States)

Glebov, L. S.; Kliger, G. A.

1989-10-01

New synthetic possibilities of the reduced promoted fused iron catalyst in intermolecular and intramolecular amination, cyanation, hydrogenation-dehydrogenation, and hydrodeoxygenation reactions and intermolecular and intramolecular dehydration, polymerisation, and isotope exchange are examined. The mechanisms and kinetics of the reactions leading to the synthesis of amines, alcohols, hydrocarbons, and other organic compunds are discussed. A laser Raman spectroscopic method is described for the investigation of heterogeneous organic catalysis in situ. The bibliography includes 148 references.

The role of attention during encoding in implicit and explicit memory.

Science.gov (United States)

Mulligan, N W

1998-01-01

In 5 experiments, participants read study words under conditions of divided or full attention. Dividing attention reduced performance on the general knowledge test, a conceptual implicit test of memory. Likewise, dividing attention reduced conceptual priming on the word--association task, as well as on a matched explicit test, associate-cued recall. In contrast, even very strong division of attention did not reduce perceptual priming on word-fragment completion, although it did reduce recall on the matched explicit test of word-fragment-cued recall. Finally, dividing attention reduced recall on the perceptual explicit tests of graphemic-cued recall and graphemic recognition. The results indicate that perceptual implicit tests rely minimally on attention-demanding encoding processes relative to other types of memory tests. The obtained pattern of dissociations is not readily accommodated by the transfer-appropriate-processing (TAP) account of implicit and explicit memory. Potential extensions of the TAP view are discussed.

Explicit and spontaneous retrieval of emotional scenes: Electrophysiological correlates

Science.gov (United States)

Weymar, Mathias; Bradley, Margaret M.; El-Hinnawi, Nasryn; Lang, Peter J.

2014-01-01

When event-related potentials are measured during a recognition task, items that have previously been presented typically elicit a larger late (400–800 ms) positive potential than new items. Recent data, however, suggest that emotional, but not neutral, pictures show ERP evidence of spontaneous retrieval when presented in a free-viewing task (Ferrari, Bradley, Codispoti & Lang, 2012). In two experiments, we further investigated the brain dynamics of implicit and explicit retrieval. In Experiment 1, brain potentials were measured during a semantic categorization task, which did not explicitly probe episodic memory, but which, like a recognition task, required an active decision and a button press, and were compared to those elicited during recognition and free viewing. Explicit recognition prompted a late enhanced positivity for previously presented, compared to new, pictures regardless of hedonic content. In contrast, only emotional pictures showed an old-new difference when the task did not explicitly probe episodic memory, either when either making an active categorization decision regarding picture content, or when simply viewing pictures. In Experiment 2, however, neutral pictures did prompt a significant old-new ERP difference during subsequent free viewing when emotionally arousing pictures were not included in the encoding set. These data suggest that spontaneous retrieval is heightened for salient cues, perhaps reflecting heightened attention and elaborative processing at encoding. PMID:23795588

Heparin kinetics

International Nuclear Information System (INIS)

Swart, C.A.M. de.

1983-01-01

The author has studied the kinetics of heparin and heparin fractions after intravenous administration in humans and in this thesis the results of this study are reported. Basic knowledge about the physico-chemical properties of heparin and its interactions with proteins resulting in anticoagulant and lipolytic effects are discussed in a review (chapter II), which also comprises some clinical aspects of heparin therapy. In chapter III the kinetics of the anticoagulant effect are described after intravenous administration of five commercial heparin preparations. A mathematical model is presented that fits best to these kinetics. The kinetics of the anticoagulant and lipolytic effects after intravenous injection of various 35 S-radiolabelled heparin fractions and their relationship with the disappearance of the radiolabel are described in chapter IV. Chapter V gives a description of the kinetics of two radiolabels after injection of in vitro formed complexes consisting of purified, 125 I-radiolabelled antithrombin III and various 35 S-radiolabelled heparin fractions. (Auth.)

Emotion effects on implicit and explicit musical memory in normal aging.

Science.gov (United States)

Narme, Pauline; Peretz, Isabelle; Strub, Marie-Laure; Ergis, Anne-Marie

2016-12-01

Normal aging affects explicit memory while leaving implicit memory relatively spared. Normal aging also modifies how emotions are processed and experienced, with increasing evidence that older adults (OAs) focus more on positive information than younger adults (YAs). The aim of the present study was to investigate how age-related changes in emotion processing influence explicit and implicit memory. We used emotional melodies that differed in terms of valence (positive or negative) and arousal (high or low). Implicit memory was assessed with a preference task exploiting exposure effects, and explicit memory with a recognition task. Results indicated that effects of valence and arousal interacted to modulate both implicit and explicit memory in YAs. In OAs, recognition was poorer than in YAs; however, recognition of positive and high-arousal (happy) studied melodies was comparable. Insofar as socioemotional selectivity theory (SST) predicts a preservation of the recognition of positive information, our findings are not fully consistent with the extension of this theory to positive melodies since recognition of low-arousal (peaceful) studied melodies was poorer in OAs. In the preference task, YAs showed stronger exposure effects than OAs, suggesting an age-related decline of implicit memory. This impairment is smaller than the one observed for explicit memory (recognition), extending to the musical domain the dissociation between explicit memory decline and implicit memory relative preservation in aging. Finally, the disproportionate preference for positive material seen in OAs did not translate into stronger exposure effects for positive material suggesting no age-related emotional bias in implicit memory. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Fluent conceptual processing and explicit memory for faces are electrophysiologically distinct.

Science.gov (United States)

Voss, Joel L; Paller, Ken A

2006-01-18

Implicit memory and explicit memory are fundamentally different manifestations of memory storage in the brain. Yet, conceptual fluency driven by previous experience could theoretically be responsible for both conceptual implicit memory and aspects of explicit memory. For example, contemplating the meaning of a word might serve to speed subsequent processing of that word and also make it seem familiar. We examined electrophysiological correlates of conceptual priming with 180 celebrity faces to determine whether or not they resemble electrophysiological correlates of explicit memory. Celebrity faces are ideal for this purpose because they carry with them preexisting conceptual information (i.e., biographical facts) that can selectively be brought to mind such that conceptual processing can be manipulated systematically. In our experiment, exposure to biographical information associated with only one-half of the celebrities yielded conceptual priming for those faces, whereas all faces were perceptually primed. Conceptual priming was indexed by positive brain potentials over frontal regions from approximately 250 to 500 ms. Explicit memory retrieval was associated with later brain potentials over posterior regions that were strikingly similar to potentials previously associated with pure familiarity for faces (when a face seems familiar in the absence of retrieval of any specific information about previous occurrence). Furthermore, the magnitude of conceptual priming was correlated across subjects with the amplitude of frontal but not posterior potentials, whereas the opposite was true for explicit memory. Distinct brain processes were thus associated with conceptual priming and conscious recognition of faces, thus providing a sharper focus on the border between implicit and explicit memory.

Kinetic theory of spectral line broadening in plasmas

International Nuclear Information System (INIS)

Hussey, T.W.

1974-01-01

A formal kinetic theory is used to cast the line shape function into a form that, while similar to the ''unified'' theories of Smith, Cooper, and Vidal and of Voslamber, does not introduce some of the usual approximations. The resulting line shape function explicitly includes the initial correlations between the atom and perturbers, and also demonstrates the natural separation of plasma mean field and collisional effects. The classical path and no-quenching approximations are discussed and ultimately employed; however, they are not required in the formal development. The weak coupling limit is considered as a systematic approximation to the formal results. It is shown tha different ways of applying this limit lead to different expressions for the memory operator, some of which correspond to existing theories. One approximation is considered which systematically incorporates the effects of electron correlations within the framework of a unified theory. In addition, a practical approximation suitable for a strongly interacting plasma is discussed

Accounting for household heterogeneity in general equilibrium economic growth models

International Nuclear Information System (INIS)

Melnikov, N.B.; O'Neill, B.C.; Dalton, M.G.

2012-01-01

We describe and evaluate a new method of aggregating heterogeneous households that allows for the representation of changing demographic composition in a multi-sector economic growth model. The method is based on a utility and labor supply calibration that takes into account time variations in demographic characteristics of the population. We test the method using the Population-Environment-Technology (PET) model by comparing energy and emissions projections employing the aggregate representation of households to projections representing different household types explicitly. Results show that the difference between the two approaches in terms of total demand for energy and consumption goods is negligible for a wide range of model parameters. Our approach allows the effects of population aging, urbanization, and other forms of compositional change on energy demand and CO 2 emissions to be estimated and compared in a computationally manageable manner using a representative household under assumptions and functional forms that are standard in economic growth models.

Implicit and explicit alcohol-related cognitions in heavy and light drinkers

NARCIS (Netherlands)

Wiers, RW; van Woerden, N; Smulders, FTY; de Jong, Peter

2002-01-01

Implicit and explicit alcohol-related cognitions were measured in 2 dimensions: positive-negative (valence) and arousal-sedation, with 2 versions of the Implicit Association Test (IAT; A. G. Greenwald, D. E. McGhee, & J. L. Schwartz) and related explicit measures. Heavy drinkers (h 24) strongly

Atrazine degradation using chemical-free process of USUV: Analysis of the micro-heterogeneous environments and the degradation mechanisms

International Nuclear Information System (INIS)

Xu, L.J.; Chu, W.; Graham, Nigel

2014-01-01

Graphical abstract: - Highlights: • Two chemical-free AOP processes are combined to enhance atrazine degradation. • ATZ degradation in sonophotolytic process was analyzed using a previous proposed model. • The micro-bubble/liquid heterogeneous environments in sonolytic processes were investigated. • The salt effects on different sonolytic processes were examined. • ATZ degradation mechanisms were investigated and pathways were proposed. - Abstract: The effectiveness of sonolysis (US), photolysis (UV), and sonophotolysis (USUV) for the degradation of atrazine (ATZ) was investigated. An untypical kinetics analysis was found useful to describe the combined process, which is compatible to pseudo first-order kinetics. The heterogeneous environments of two different ultrasounds (20 and 400 kHz) were evaluated. The heterogeneous distribution of ATZ in the ultrasonic solution was found critical in determining the reaction rates at different frequencies. The presence of NaCl would promote/inhibit the rates by the growth and decline of “salting out” effect and surface tension. The benefits of combining these two processes were for the first time investigated from the aspect of promoting the intermediates degradation which were resistant in individual processes. UV caused a rapid transformation of ATZ to 2-hydroxyatrazine (OIET), which was insensitive to UV irradiation; however, US and USUV were able to degrade OIET and other intermediates through • OH attack. On the other hand, UV irradiation also could promote radical generation via H 2 O 2 decomposition, thereby resulting in less accumulation of more hydrophilic intermediates, which are difficult to degradation in the US process. Reaction pathways for ATZ degradation by all three processes are proposed. USUV achieved the greatest degree of ATZ mineralization with more than 60% TOC removed, contributed solely by the oxidation of side chains. Ammeline was found to be the only end-product in both US and USUV

Atrazine degradation using chemical-free process of USUV: Analysis of the micro-heterogeneous environments and the degradation mechanisms

Energy Technology Data Exchange (ETDEWEB)

Xu, L.J., E-mail: xulijie827@gmail.com [Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong); Chu, W., E-mail: cewchu@polyu.edu.hk [Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong); Graham, Nigel, E-mail: n.graham@imperial.ac.uk [Department of Civil and Environmental Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom)

2014-06-30

Graphical abstract: - Highlights: • Two chemical-free AOP processes are combined to enhance atrazine degradation. • ATZ degradation in sonophotolytic process was analyzed using a previous proposed model. • The micro-bubble/liquid heterogeneous environments in sonolytic processes were investigated. • The salt effects on different sonolytic processes were examined. • ATZ degradation mechanisms were investigated and pathways were proposed. - Abstract: The effectiveness of sonolysis (US), photolysis (UV), and sonophotolysis (USUV) for the degradation of atrazine (ATZ) was investigated. An untypical kinetics analysis was found useful to describe the combined process, which is compatible to pseudo first-order kinetics. The heterogeneous environments of two different ultrasounds (20 and 400 kHz) were evaluated. The heterogeneous distribution of ATZ in the ultrasonic solution was found critical in determining the reaction rates at different frequencies. The presence of NaCl would promote/inhibit the rates by the growth and decline of “salting out” effect and surface tension. The benefits of combining these two processes were for the first time investigated from the aspect of promoting the intermediates degradation which were resistant in individual processes. UV caused a rapid transformation of ATZ to 2-hydroxyatrazine (OIET), which was insensitive to UV irradiation; however, US and USUV were able to degrade OIET and other intermediates through • OH attack. On the other hand, UV irradiation also could promote radical generation via H{sub 2}O{sub 2} decomposition, thereby resulting in less accumulation of more hydrophilic intermediates, which are difficult to degradation in the US process. Reaction pathways for ATZ degradation by all three processes are proposed. USUV achieved the greatest degree of ATZ mineralization with more than 60% TOC removed, contributed solely by the oxidation of side chains. Ammeline was found to be the only end-product in both US

Targeting multiple heterogeneous hardware platforms with OpenCL

Science.gov (United States)

Fox, Paul A.; Kozacik, Stephen T.; Humphrey, John R.; Paolini, Aaron; Kuller, Aryeh; Kelmelis, Eric J.

2014-06-01

The OpenCL API allows for the abstract expression of parallel, heterogeneous computing, but hardware implementations have substantial implementation differences. The abstractions provided by the OpenCL API are often insufficiently high-level to conceal differences in hardware architecture. Additionally, implementations often do not take advantage of potential performance gains from certain features due to hardware limitations and other factors. These factors make it challenging to produce code that is portable in practice, resulting in much OpenCL code being duplicated for each hardware platform being targeted. This duplication of effort offsets the principal advantage of OpenCL: portability. The use of certain coding practices can mitigate this problem, allowing a common code base to be adapted to perform well across a wide range of hardware platforms. To this end, we explore some general practices for producing performant code that are effective across platforms. Additionally, we explore some ways of modularizing code to enable optional optimizations that take advantage of hardware-specific characteristics. The minimum requirement for portability implies avoiding the use of OpenCL features that are optional, not widely implemented, poorly implemented, or missing in major implementations. Exposing multiple levels of parallelism allows hardware to take advantage of the types of parallelism it supports, from the task level down to explicit vector operations. Static optimizations and branch elimination in device code help the platform compiler to effectively optimize programs. Modularization of some code is important to allow operations to be chosen for performance on target hardware. Optional subroutines exploiting explicit memory locality allow for different memory hierarchies to be exploited for maximum performance. The C preprocessor and JIT compilation using the OpenCL runtime can be used to enable some of these techniques, as well as to factor in hardware

Implicit and explicit self-esteem in currently depressed individuals with and without suicidal ideation.

Science.gov (United States)

Franck, Erik; De Raedt, Rudi; Dereu, Mieke; Van den Abbeele, Dirk

2007-03-01

In the present study, we have further explored implicit self-esteem in currently depressed individuals. Since suicidal ideation is associated with lower self-esteem in depressed individuals, we measured both implicit and explicit self-esteem in a population of currently depressed (CD) individuals, with and without suicidal ideation (SI), and in a group of non-depressed controls (ND). The results indicate that only CD individuals with SI show a discrepancy between their implicit and explicit self-esteem: that is, they exhibit high implicit and low explicit self-esteem. CD individuals without SI exhibit both low implicit and low explicit self-esteem; and ND controls exhibit both normal implicit and normal explicit self-esteem. These results provide new insights in the study of implicit self-esteem and the combination of implicit and explicit self-esteem in depression.

Exponential-fitted methods for integrating stiff systems of ordinary differential equations: Applications to homogeneous gas-phase chemical kinetics

Science.gov (United States)

Pratt, D. T.

1984-01-01

Conventional algorithms for the numerical integration of ordinary differential equations (ODEs) are based on the use of polynomial functions as interpolants. However, the exact solutions of stiff ODEs behave like decaying exponential functions, which are poorly approximated by polynomials. An obvious choice of interpolant are the exponential functions themselves, or their low-order diagonal Pade (rational function) approximants. A number of explicit, A-stable, integration algorithms were derived from the use of a three-parameter exponential function as interpolant, and their relationship to low-order, polynomial-based and rational-function-based implicit and explicit methods were shown by examining their low-order diagonal Pade approximants. A robust implicit formula was derived by exponential fitting the trapezoidal rule. Application of these algorithms to integration of the ODEs governing homogenous, gas-phase chemical kinetics was demonstrated in a developmental code CREK1D, which compares favorably with the Gear-Hindmarsh code LSODE in spite of the use of a primitive stepsize control strategy.

The porous boundaries between explicit and implicit memory: behavioral and neural evidence.

Science.gov (United States)

Dew, Ilana T Z; Cabeza, Roberto

2011-04-01

Explicit memory refers to the conscious retrieval of past information or experiences, whereas implicit memory refers to an unintentional or nonconscious form of retrieval. Much of the literature in cognitive psychology and cognitive neuroscience has focused on differences between explicit and implicit memory, and the traditional view is that they rely on distinct brain systems. However, the potential interplay between implicit and explicit memory is not always clear. This review draws from behavioral and functional neuroimaging evidence to evaluate three areas in which implicit and explicit memory may be interrelated. First, we discuss views of familiarity-based recognition in terms of its relationship with implicit memory. Second, we review the challenges of distinguishing between implicit memory and involuntary aware memory, at both behavioral and neural levels. Finally, we examine evidence indicating that implicit and explicit retrieval of relational information may rely on a common neural mechanism. Taken together, these areas indicate that, under certain circumstances, there may be an important and influential relationship between conscious and nonconscious expressions of memory. © 2011 New York Academy of Sciences.

Quantum kinetic theory of metal clusters in an intense electromagnetic field

Directory of Open Access Journals (Sweden)

M.Bonitz

2004-01-01

Full Text Available A quantum kinetic theory for weakly inhomogeneous charged particle systems is derived within the framework of nonequilibrium Green's functions. The results are of relevance for valence electrons of metal clusters as well as for confined Coulomb systems, such as electrons in quantum dots or ultracold ions in traps and similar systems. To be specific, here we concentrate on the application to metal clusters, but the results are straightforwardly generalized. Therefore, we first give an introduction to the physics of correlated valence electrons of metal clusters in strong electromagnetic fields. After a brief overview on the jellium model and the standard density functional approach to the ground state properties, we focus on the extension of the theory to nonequilibrium. To this end a general gauge-invariant kinetic theory is developed. The results include the equations of motion of the two-time correlation functions, the equation for the Wigner function and an analysis of the spectral function. Here, the concept of an effective quantum potential is introduced which retains the convenient local form of the propagators. This allows us to derive explicit results for the spectral function of electrons in a combined strong electromagnetic field and a weakly inhomogeneous confinement potential.

Are mixed explicit/implicit solvation models reliable for studying phosphate hydrolysis? A comparative study of continuum, explicit and mixed solvation models.

Energy Technology Data Exchange (ETDEWEB)

Kamerlin, Shina C. L.; Haranczyk, Maciej; Warshel, Arieh

2009-05-01

Phosphate hydrolysis is ubiquitous in biology. However, despite intensive research on this class of reactions, the precise nature of the reaction mechanism remains controversial. In this work, we have examined the hydrolysis of three homologous phosphate diesters. The solvation free energy was simulated by means of either an implicit solvation model (COSMO), hybrid quantum mechanical / molecular mechanical free energy perturbation (QM/MM-FEP) or a mixed solvation model in which N water molecules were explicitly included in the ab initio description of the reacting system (where N=1-3), with the remainder of the solvent being implicitly modelled as a continuum. Here, both COSMO and QM/MM-FEP reproduce Delta Gobs within an error of about 2kcal/mol. However, we demonstrate that in order to obtain any form of reliable results from a mixed model, it is essential to carefully select the explicit water molecules from short QM/MM runs that act as a model for the true infinite system. Additionally, the mixed models tend to be increasingly inaccurate the more explicit water molecules are placed into the system. Thus, our analysis indicates that this approach provides an unreliable way for modelling phosphate hydrolysis in solution.

Explicit behavioral detection of visual changes develops without their implicit neurophysiological detectability

Directory of Open Access Journals (Sweden)

Pessi eLyyra

2012-03-01

Full Text Available Change blindness is a failure of explicitly detecting changes between consecutively presented images when separated, e.g., by a brief blank screen. There is a growing body of evidence of implicit detection of even explicitly undetectable changes, pointing to the possibility of the implicit change detection as a prerequisite for its explicit counterpart. We recorded event-related potentials (ERPs of the electroencephalography in adults during an oddball-variant of change blindness flicker paradigm. In this variant, rare pictures with a change were interspersed with frequent pictures with no change. In separate stimulus blocks, the blank screen between the change and no-change picture was either of 100 ms or 500 ms in duration. In both stimulus conditions the participants eventually explicitly detect the changed pictures, the blank screen of the longer duration only requiring in average 10 % longer exposure to the picture series until the ability emerged. However, during the change blindness, ERPs were displaced towards negative polarity at 200–260 ms after the stimulus onset (visual mismatch negativity only with the blank screens of the shorter ISI. Our finding of ‘implicit change blindness’ for pictorial material that, nevertheless, successfully prepares the visual system for explicit change detection suggests that implicit change detection may not be a necessary condition for explicit change detection and that they may recruit at least partially distinct memory mechanisms.

Kinetics of heavy metal adsorption and desorption in soil: Developing a unified model based on chemical speciation

Science.gov (United States)

Peng, Lanfang; Liu, Paiyu; Feng, Xionghan; Wang, Zimeng; Cheng, Tao; Liang, Yuzhen; Lin, Zhang; Shi, Zhenqing

2018-03-01

Predicting the kinetics of heavy metal adsorption and desorption in soil requires consideration of multiple heterogeneous soil binding sites and variations of reaction chemistry conditions. Although chemical speciation models have been developed for predicting the equilibrium of metal adsorption on soil organic matter (SOM) and important mineral phases (e.g. Fe and Al (hydr)oxides), there is still a lack of modeling tools for predicting the kinetics of metal adsorption and desorption reactions in soil. In this study, we developed a unified model for the kinetics of heavy metal adsorption and desorption in soil based on the equilibrium models WHAM 7 and CD-MUSIC, which specifically consider metal kinetic reactions with multiple binding sites of SOM and soil minerals simultaneously. For each specific binding site, metal adsorption and desorption rate coefficients were constrained by the local equilibrium partition coefficients predicted by WHAM 7 or CD-MUSIC, and, for each metal, the desorption rate coefficients of various binding sites were constrained by their metal binding constants with those sites. The model had only one fitting parameter for each soil binding phase, and all other parameters were derived from WHAM 7 and CD-MUSIC. A stirred-flow method was used to study the kinetics of Cd, Cu, Ni, Pb, and Zn adsorption and desorption in multiple soils under various pH and metal concentrations, and the model successfully reproduced most of the kinetic data. We quantitatively elucidated the significance of different soil components and important soil binding sites during the adsorption and desorption kinetic processes. Our model has provided a theoretical framework to predict metal adsorption and desorption kinetics, which can be further used to predict the dynamic behavior of heavy metals in soil under various natural conditions by coupling other important soil processes.

New explicit and exact solutions of the Benney–Kawahara–Lin equation

International Nuclear Information System (INIS)

Yuan-Xi, Xie

2009-01-01

In this paper, we present a combination method of constructing the explicit and exact solutions of nonlinear partial differential equations. And as an illustrative example, we apply the method to the Benney–Kawahara–Lin equation and derive its many explicit and exact solutions which are all new solutions. (general)

Explicit Formulae for the Continued Fraction Convergents of "Square Root of D"

Science.gov (United States)

Braza, Peter A.

2010-01-01

The formulae for the convergents of continued fractions are always given recursively rather than in explicit form. This article derives explicit formulae for the convergents of the continued fraction expansions for square roots.

Shock and Rarefaction Waves in a Heterogeneous Mantle

Science.gov (United States)

Jordan, J.; Hesse, M. A.

2012-12-01

We explore the effect of heterogeneities on partial melting and melt migration during active upwelling in the Earth's mantle. We have constructed simple, explicit nonlinear models in one dimension to examine heterogeneity and its dynamic affects on porosity, temperature and the magnesium number in a partially molten, porous medium comprised of olivine. The composition of the melt and solid are defined by a closed, binary phase diagram for a simplified, two-component olivine system. The two-component solid solution is represented by a phase loop where concentrations 0 and 1 to correspond to fayalite and forsterite, respectively. For analysis, we examine an advective system with a Riemann initial condition. Chromatographic tools and theory have primarily been used to track large, rare earth elements as tracers. In our case, we employ these theoretical tools to highlight the importance of the magnesium number, enthalpy and overall heterogeneity in the dynamics of melt migration. We calculate the eigenvectors and eigenvalues in the concentration-enthalpy space in order to glean the characteristics of the waves emerging the Riemann step. Analysis on Riemann problems of this nature shows us that the composition-enthalpy waves can be represented by self-similar solutions. The eigenvalues of the composition-enthalpy system represent the characteristic wave propagation speeds of the compositions and enthalpy through the domain. Furthermore, the corresponding eigenvectors are the directions of variation, or ``pathways," in concentration-enthalpy space that the characteristic waves follow. In the two-component system, the Riemann problem yields two waves connected by an intermediate concentration-enthalpy state determined by the intersections of the integral curves of the eigenvectors emanating from both the initial and boundary states. The first wave, ``slow path," and second wave, ``fast path," follow the aformentioned pathways set by the eigenvectors. The slow path wave

Are translations longer than source texts? A corpus-based study of explicitation

OpenAIRE

Frankenberg-Garcia, A

2009-01-01

Explicitation is the process of rendering information which is only implicit in the source text explicit in the target text, and is believed to be one of the universals of translation (Blum-Kulka 1986, Olohan and Baker 2000, Øverås 1998, Séguinot 1988, Vanderauwera 1985). The present study uses corpus technology to attempt to shed some light on the complex relationship between translation, text length and explicitation. An awareness of what makes translations longer (or shorter) and more expl...

Implicit and explicit drinker identities interactively predict in-the-moment alcohol placebo consumption

Directory of Open Access Journals (Sweden)

Daniel Frings

2016-06-01

Conclusion: These results suggest that explicit identities may be associated more with those beliefs about drinking that one is aware of than behavioral intention. In addition, explicit identities may not predict behavioral enactment well. Implicit identity shows effects on actual behavior and not behavioral intention. Together this highlights the differential influence of reflective (explicit and impulsive (implicit identity in-the-moment behavior.

[Explicit and implicit attitudes toward standard-Japanese and Osaka-dialect language use].

Science.gov (United States)

Watanabe, Takumi; Karasawa, Kaori

2013-04-01

This article examines the effects of language use on explicit and implicit attitudes. We employed the matched-guise technique to measure participants' impressions of standard-Japanese and Osaka-dialect speakers. Implicit attitudes were assessed by the Implicit Association Test (IAT). The Osaka-dialect speaker was evaluated as warmer than the standard-Japanese speaker, suggesting that explicit attitudes toward the Osaka dialect have changed positively. On the other hand, the results for the impression of intelligence were consistent with the previous literature that the standard-Japanese speaker was seen as more intelligent than the Osaka-dialect speaker. Compared with explicit attitudes, the analyses of implicit attitudes revealed that participants showed a consistent implicit bias favoring standard-Japanese language use. The changing processes and relationships of explicit and implicit attitudes were discussed.

Implicit and Explicit Memory Bias in Opiate Dependent, Abstinent and Normal Individuals

Directory of Open Access Journals (Sweden)

Jafar Hasani

2013-07-01

Full Text Available Objective: The aim of current research was to assess implicit and explicit memory bias to drug related stimuli in opiate Dependent, abstinent and normal Individuals. Method: Three groups including opiate Dependent, abstinent and normal Individuals (n=25 were selected by available sampling method. After matching on the base of age, education level and type of substance use all participants assessed by recognition task (explicit memory bias and stem completion task (implicit memory bias. Results: The analysis of data showed that opiate dependent and abstinent groups in comparison with normal individual had implicit memory bias, whereas in explicit memory only opiate dependent individuals showed bias. Conclusion: The identification of explicit and implicit memory governing addiction may have practical implications in diagnosis, treatment and prevention of substance abuse.

Spatially explicit modelling of cholera epidemics

Science.gov (United States)

Finger, F.; Bertuzzo, E.; Mari, L.; Knox, A. C.; Gatto, M.; Rinaldo, A.

2013-12-01

Epidemiological models can provide crucial understanding about the dynamics of infectious diseases. Possible applications range from real-time forecasting and allocation of health care resources to testing alternative intervention mechanisms such as vaccines, antibiotics or the improvement of sanitary conditions. We apply a spatially explicit model to the cholera epidemic that struck Haiti in October 2010 and is still ongoing. The dynamics of susceptibles as well as symptomatic and asymptomatic infectives are modelled at the scale of local human communities. Dissemination of Vibrio cholerae through hydrological transport and human mobility along the road network is explicitly taken into account, as well as the effect of rainfall as a driver of increasing disease incidence. The model is calibrated using a dataset of reported cholera cases. We further model the long term impact of several types of interventions on the disease dynamics by varying parameters appropriately. Key epidemiological mechanisms and parameters which affect the efficiency of treatments such as antibiotics are identified. Our results lead to conclusions about the influence of different intervention strategies on the overall epidemiological dynamics.

Trichloroethylene degradation by persulphate with magnetite as a heterogeneous activator in aqueous solution.

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Ruan, Xiaoxin; Gu, Xiaogang; Lu, Shuguang; Qiu, Zhaofu; Sui, Qian

2015-01-01

Iron oxide-magnetite (Fe3O4) as a heterogeneous activator to activate persulphate anions (S2O8(2-)) for trichloroethylene (TCE) degradation was investigated in this study. The experimental results showed that TCE could be completely oxidized within 5 h by using 5 g L(-1) magnetite and 63 mM S2O8(2-), indicating the effectiveness of the process for TCE removal. Various factors of the process, including. (S2O8(2-) and magnetite dosages, and initial solution pH, were evaluated, and TCE degradation fitted well to the pseudo-first-order kinetic model. The calculated kinetic rate constant was increased with increasing S2O8(2-) and magnetite dosages, but it was independent of solution pH. In addition, the changes of magnetite morphology examined by scanning electron microscopy and X-ray powder diffraction, respectively, confirmed the slight corrosion with α-Fe2O3 coated on the magnetite surface. The probe compounds tests clearly identified the generation of the reactive oxygen species in the system. While the free radical quenching studies further demonstrated that •SO4- and •OH were the major radicals responsible for TCE degradation, whereas •O2- contributed less in the system, and therefore the roles of reactive oxygen species on TCE degradation mechanisms were proposed accordingly. To our best knowledge, this is the first time the performance and mechanism of magnetite-activated persulphate oxidation for TCE degradation are reported. The findings of this study provided a new insight into the heterogeneous catalysis mechanism and showed a great potential for the practical application of this technique in in situ TCE-contaminated groundwater remediation.

Implicit and Explicit Memory in Autism: Is Autism an Amnesic Disorder?

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Renner, Peggy; Klinger, Laura Grofer; Klinger, Mark R.

2000-01-01

This study examined whether children with high-functioning autism have a dissociation between explicit and implicit memory abilities characteristic of medial temporal lobe amnesic disorder. Children (N=14 and ages 6-14) with autism showed intact implicit and explicit memory abilities but did not show typical memory patterns, suggesting they used…

Meta-Analysis of Explicit Memory Studies in Populations with Intellectual Disability

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Lifshitz, Hefziba; Shtein, Sarit; Weiss, Izhak; Vakil, Eli

2011-01-01

This meta-analysis combines the effect size (ES) of 40 explicit memory experiments in populations with intellectual disability (ID). Eight meta-analyses were performed, as well as contrast tests between ES. The explicit memory of participants with ID was inferior to that of participants with typical development (TD). Relatively preserved explicit…

A neurocomputational theory of how explicit learning bootstraps early procedural learning.

Science.gov (United States)

Paul, Erick J; Ashby, F Gregory

2013-01-01

It is widely accepted that human learning and memory is mediated by multiple memory systems that are each best suited to different requirements and demands. Within the domain of categorization, at least two systems are thought to facilitate learning: an explicit (declarative) system depending largely on the prefrontal cortex, and a procedural (non-declarative) system depending on the basal ganglia. Substantial evidence suggests that each system is optimally suited to learn particular categorization tasks. However, it remains unknown precisely how these systems interact to produce optimal learning and behavior. In order to investigate this issue, the present research evaluated the progression of learning through simulation of categorization tasks using COVIS, a well-known model of human category learning that includes both explicit and procedural learning systems. Specifically, the model's parameter space was thoroughly explored in procedurally learned categorization tasks across a variety of conditions and architectures to identify plausible interaction architectures. The simulation results support the hypothesis that one-way interaction between the systems occurs such that the explicit system "bootstraps" learning early on in the procedural system. Thus, the procedural system initially learns a suboptimal strategy employed by the explicit system and later refines its strategy. This bootstrapping could be from cortical-striatal projections that originate in premotor or motor regions of cortex, or possibly by the explicit system's control of motor responses through basal ganglia-mediated loops.

THE ESSENCE OF QUESTIONING AND EXPLICIT READING INSTRUCTION STRATEGY

Directory of Open Access Journals (Sweden)

Sa’dulloh Muzammil

2014-06-01

Full Text Available Teacher’s questioning may function to assist students comprehend more reading materials and to enable them to be proficient readers. Yet, the students may be less benefited from which if the teacher neither provides sufficient explicit reading strategy nor involves higher-level questions. Consequently, the teacher should pay more careful attentions as follows: 1 teacher should involve both lower- and high-lever questions; 2 teacher should provide students with explicit reading strategy; 3 teacher should be aware of the activities in reading phases: pre-, during-, and post-reading.

Spatially explicit analysis of metal transfer to biota: influence of soil contamination and landscape.

Directory of Open Access Journals (Sweden)

Clémentine Fritsch

Full Text Available Concepts and developments for a new field in ecotoxicology, referred to as "landscape ecotoxicology," were proposed in the 1990s; however, to date, few studies have been developed in this emergent field. In fact, there is a strong interest in developing this area, both for renewing the concepts and tools used in ecotoxicology as well as for responding to practical issues, such as risk assessment. The aim of this study was to investigate the spatial heterogeneity of metal bioaccumulation in animals in order to identify the role of spatially explicit factors, such as landscape as well as total and extractable metal concentrations in soils. Over a smelter-impacted area, we studied the accumulation of trace metals (TMs: Cd, Pb and Zn in invertebrates (the grove snail Cepaea sp and the glass snail Oxychilus draparnaudi and vertebrates (the bank vole Myodes glareolus and the greater white-toothed shrew Crocidura russula. Total and CaCl(2-extractable concentrations of TMs were measured in soils from woody patches where the animals were captured. TM concentrations in animals exhibited a high spatial heterogeneity. They increased with soil pollution and were better explained by total rather than CaCl(2-extractable TM concentrations, except in Cepaea sp. TM levels in animals and their variations along the pollution gradient were modulated by the landscape, and this influence was species and metal specific. Median soil metal concentrations (predicted by universal kriging were calculated in buffers of increasing size and were related to bioaccumulation. The spatial scale at which TM concentrations in animals and soils showed the strongest correlations varied between metals, species and landscapes. The potential underlying mechanisms of landscape influence (community functioning, behaviour, etc. are discussed. Present results highlight the need for the further development of landscape ecotoxicology and multi-scale approaches, which would enhance our

Tracer kinetic model-driven registration for dynamic contrast-enhanced MRI time-series data.

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Buonaccorsi, Giovanni A; O'Connor, James P B; Caunce, Angela; Roberts, Caleb; Cheung, Sue; Watson, Yvonne; Davies, Karen; Hope, Lynn; Jackson, Alan; Jayson, Gordon C; Parker, Geoffrey J M

2007-11-01

Dynamic contrast-enhanced MRI (DCE-MRI) time series data are subject to unavoidable physiological motion during acquisition (e.g., due to breathing) and this motion causes significant errors when fitting tracer kinetic models to the data, particularly with voxel-by-voxel fitting approaches. Motion correction is problematic, as contrast enhancement introduces new features into postcontrast images and conventional registration similarity measures cannot fully account for the increased image information content. A methodology is presented for tracer kinetic model-driven registration that addresses these problems by explicitly including a model of contrast enhancement in the registration process. The iterative registration procedure is focused on a tumor volume of interest (VOI), employing a three-dimensional (3D) translational transformation that follows only tumor motion. The implementation accurately removes motion corruption in a DCE-MRI software phantom and it is able to reduce model fitting errors and improve localization in 3D parameter maps in patient data sets that were selected for significant motion problems. Sufficient improvement was observed in the modeling results to salvage clinical trial DCE-MRI data sets that would otherwise have to be rejected due to motion corruption. Copyright 2007 Wiley-Liss, Inc.

Probing Electrode Heterogeneity Using Fourier-Transformed Alternating Current Voltammetry: Application to a Dual-Electrode Configuration.

Science.gov (United States)

Tan, Sze-Yin; Unwin, Patrick R; Macpherson, Julie V; Zhang, Jie; Bond, Alan M

2017-03-07

Quantitative studies of electron transfer processes at electrode/electrolyte interfaces, originally developed for homogeneous liquid mercury or metallic electrodes, are difficult to adapt to the spatially heterogeneous nanostructured electrode materials that are now commonly used in modern electrochemistry. In this study, the impact of surface heterogeneity on Fourier-transformed alternating current voltammetry (FTACV) has been investigated theoretically under the simplest possible conditions where no overlap of diffusion layers occurs and where numerical simulations based on a 1D diffusion model are sufficient to describe the mass transport problem. Experimental data that meet these requirements can be obtained with the aqueous [Ru(NH 3 ) 6 ] 3+/2+ redox process at a dual-electrode system comprised of electrically coupled but well-separated glassy carbon (GC) and boron-doped diamond (BDD) electrodes. Simulated and experimental FTACV data obtained with this electrode configuration, and where distinctly different heterogeneous charge transfer rate constants (k 0 values) apply at the individual GC and BDD electrode surfaces, are in excellent agreement. Principally, because of the far greater dependence of the AC current magnitude on k 0 , it is straightforward with the FTACV method to resolve electrochemical heterogeneities that are ∼1-2 orders of magnitude apart, as applies in the [Ru(NH 3 ) 6 ] 3+/2+ dual-electrode configuration experiments, without prior knowledge of the individual kinetic parameters (k 0 1 and k 0 2 ) or the electrode size ratio (θ 1 :θ 2 ). In direct current voltammetry, a difference in k 0 of >3 orders of magnitude is required to make this distinction.

Implicit and explicit prejudice and interracial interaction

NARCIS (Netherlands)

Dovidio, J.F.; Kawakami, K.L.; Gaertner, S.L.

2002-01-01

The present research examined how implicit racial associations and explicit racial attitudes of Whites relate to behaviors and impressions in interracial interactions, Specifically, the authors examined how response latency and self-report measures predicted bias and perceptions of bias in verbal

Children's Implicit and Explicit Gender Stereotypes about Mathematics and Reading Ability

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Nowicki, Elizabeth A.; Lopata, Joel

2017-01-01

Study objectives were to clarify children's gender-based implicit and explicit mathematics and reading stereotypes, and to determine if implicit and explicit measures were related or represented distinct constructs. One hundred and fifty-six boys and girls (mean age 11.3 years) from six elementary schools completed math or reading stereotype…

Implicit and Explicit Memory for Affective Passages in Temporal Lobectomy Patients

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Burton, Leslie A.; Rabin, Laura; Vardy, Susan Bernstein; Frohlich, Jonathan; Porter, Gwinne Wyatt; Dimitri, Diana; Cofer, Lucas; Labar, Douglas

2008-01-01

Eighteen temporal lobectomy patients (9 left, LTL; 9 right, RTL) were administered four verbal tasks, an Affective Implicit Task, a Neutral Implicit Task, an Affective Explicit Task, and a Neutral Explicit Task. For the Affective and Neutral Implicit Tasks, participants were timed while reading aloud passages with affective or neutral content,…

Determining Li+-Coupled Redox Targeting Reaction Kinetics of Battery Materials with Scanning Electrochemical Microscopy.

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Yan, Ruiting; Ghilane, Jalal; Phuah, Kia Chai; Pham Truong, Thuan Nguyen; Adams, Stefan; Randriamahazaka, Hyacinthe; Wang, Qing

2018-02-01

The redox targeting reaction of Li + -storage materials with redox mediators is the key process in redox flow lithium batteries, a promising technology for next-generation large-scale energy storage. The kinetics of the Li + -coupled heterogeneous charge transfer between the energy storage material and redox mediator dictates the performance of the device, while as a new type of charge transfer process it has been rarely studied. Here, scanning electrochemical microscopy (SECM) was employed for the first time to determine the interfacial charge transfer kinetics of LiFePO 4 /FePO 4 upon delithiation and lithiation by a pair of redox shuttle molecules FcBr 2 + and Fc. The effective rate constant k eff was determined to be around 3.70-6.57 × 10 -3 cm/s for the two-way pseudo-first-order reactions, which feature a linear dependence on the composition of LiFePO 4 , validating the kinetic process of interfacial charge transfer rather than bulk solid diffusion. In addition, in conjunction with chronoamperometry measurement, the SECM study disproves the conventional "shrinking-core" model for the delithiation of LiFePO 4 and presents an intriguing way of probing the phase boundary propagations induced by interfacial redox reactions. This study demonstrates a reliable method for the kinetics of redox targeting reactions, and the results provide useful guidance for the optimization of redox targeting systems for large-scale energy storage.

Attainment of chemical equilibrium in effusive beam sources of the heterogeneous reaction type

International Nuclear Information System (INIS)

Hildenbrand, D.L.

1979-01-01

Effusive beam sources derived from gas-solid reactions provide a very important pathway for widening the scope of high temperature thermodynamic studies, but the attainment of chemical equilibrium within these sources is problematical. Some of the underlying kinetic factors associated with the use of these sources are discussed. As one might expect, it is important to maximize the ratio of reactive surface area to exit orifice area. Equilibrium seems to be achieved more readily among the products of gas-solid reactions than among reactant and products, as suggested by the quasi-equilibrium model. Some experiences with the use of heterogeneous reaction sources are described, and two definitive tests for the establishment of equilibrium are outlined

Modeling spatially explicit fire impact on gross primary production in interior Alaska using satellite images coupled with eddy covariance

Science.gov (United States)

Huang, Shengli; Liu, Heping; Dahal, Devendra; Jin, Suming; Welp, Lisa R.; Liu, Jinxun; Liu, Shuguang

2013-01-01

In interior Alaska, wildfires change gross primary production (GPP) after the initial disturbance. The impact of fires on GPP is spatially heterogeneous, which is difficult to evaluate by limited point-based comparisons or is insufficient to assess by satellite vegetation index. The direct prefire and postfire comparison is widely used, but the recovery identification may become biased due to interannual climate variability. The objective of this study is to propose a method to quantify the spatially explicit GPP change caused by fires and succession. We collected three Landsat images acquired on 13 July 2004, 5 August 2004, and 6 September 2004 to examine the GPP recovery of burned area from 1987 to 2004. A prefire Landsat image acquired in 1986 was used to reconstruct satellite images assuming that the fires of 1987–2004 had not occurred. We used a light-use efficiency model to estimate the GPP. This model was driven by maximum light-use efficiency (Emax) and fraction of photosynthetically active radiation absorbed by vegetation (FPAR). We applied this model to two scenarios (i.e., an actual postfire scenario and an assuming-no-fire scenario), where the changes in Emax and FPAR were taken into account. The changes in Emax were represented by the change in land cover of evergreen needleleaf forest, deciduous broadleaf forest, and shrub/grass mixed, whose Emax was determined from three fire chronosequence flux towers as 1.1556, 1.3336, and 0.5098 gC/MJ PAR. The changes in FPAR were inferred from NDVI change between the actual postfire NDVI and the reconstructed NDVI. After GPP quantification for July, August, and September 2004, we calculated the difference between the two scenarios in absolute and percent GPP changes. Our results showed rapid recovery of GPP post-fire with a 24% recovery immediately after burning and 43% one year later. For the fire scars with an age range of 2–17 years, the recovery rate ranged from 54% to 95%. In addition to the averaging

Magnetoresistance in organic semiconductors: Including pair correlations in the kinetic equations for hopping transport

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Shumilin, A. V.; Kabanov, V. V.; Dediu, V. I.

2018-03-01

We derive kinetic equations for polaron hopping in organic materials that explicitly take into account the double occupation possibility and pair intersite correlations. The equations include simplified phenomenological spin dynamics and provide a self-consistent framework for the description of the bipolaron mechanism of the organic magnetoresistance. At low applied voltages, the equations can be reduced to those for an effective resistor network that generalizes the Miller-Abrahams network and includes the effect of spin relaxation on the system resistivity. Our theory discloses the close relationship between the organic magnetoresistance and the intersite correlations. Moreover, in the absence of correlations, as in an ordered system with zero Hubbard energy, the magnetoresistance vanishes.

Diurnal Variations of the Flux Imbalance Over Homogeneous and Heterogeneous Landscapes

Science.gov (United States)

Zhou, Yanzhao; Li, Dan; Liu, Heping; Li, Xin

2018-05-01

It is well known that the sum of the turbulent sensible and latent heat fluxes as measured by the eddy-covariance method is systematically lower than the available energy (i.e., the net radiation minus the ground heat flux). We examine the separate and joint effects of diurnal and spatial variations of surface temperature on this flux imbalance in a dry convective boundary layer using the Weather Research and Forecasting model. Results show that, over homogeneous surfaces, the flux due to turbulent-organized structures is responsible for the imbalance, whereas over heterogeneous surfaces, the flux due to mesoscale or secondary circulations is the main contributor to the imbalance. Over homogeneous surfaces, the flux imbalance in free convective conditions exhibits a clear diurnal cycle, showing that the flux-imbalance magnitude slowly decreases during the morning period and rapidly increases during the afternoon period. However, in shear convective conditions, the flux-imbalance magnitude is much smaller, but slightly increases with time. The flux imbalance over heterogeneous surfaces exhibits a diurnal cycle under both free and shear convective conditions, which is similar to that over homogeneous surfaces in free convective conditions, and is also consistent with the general trend in the global observations. The rapid increase in the flux-imbalance magnitude during the afternoon period is mainly caused by the afternoon decay of the turbulent kinetic energy (TKE). Interestingly, over heterogeneous surfaces, the flux imbalance is linearly related to the TKE and the difference between the potential temperature and surface temperature, ΔT; the larger the TKE and ΔT values, the smaller the flux-imbalance magnitude.

Promoting Cooperative Learning in the Classroom: Comparing Explicit and Implicit Training Techniques

Directory of Open Access Journals (Sweden)

Anne Elliott

2003-07-01

Full Text Available In this study, we investigated whether providing 4th and 5th-grade students with explicit instruction in prerequisite cooperative-learning skills and techniques would enhance their academic performance and promote in them positive attitudes towards cooperative learning. Overall, students who received explicit training outperformed their peers on both the unit project and test and presented more favourable attitudes towards cooperative learning. The findings of this study support the use of explicitly instructing students about the components of cooperative learning prior to engaging in collaborative activities. Implications for teacher-education are discussed.

Implicit and explicit illusory correlation as a function of political ideology.

Science.gov (United States)

Carraro, Luciana; Negri, Paolo; Castelli, Luigi; Pastore, Massimiliano

2014-01-01

Research has demonstrated that people who embrace different ideological orientations often show differences at the level of basic cognitive processes. For instance, conservatives (vs. liberals) display an automatic selective attention for negative (vs. positive) stimuli, and tend to more easily form illusory correlations between negative information and minority groups. In the present work, we further explored this latter effect by examining whether it only involves the formation of explicit attitudes or it extends to implicit attitudes. To this end, following the typical illusory correlation paradigm, participants were presented with members of two numerically different groups (majority and minority) each performing either a positive or negative behaviour. Negative behaviors were relatively infrequent, and the proportion of positive and negative behaviors within each group was the same. Next, explicit and implicit (i.e., IAT-measured) attitudes were assessed. Results showed that conservatives (vs. liberals) displayed stronger explicit as well as implicit illusory correlations effects, forming more negative attitudes toward the minority (vs. majority) group at both the explicit and implicit level.

Electrophysiological correlates of exemplar-specific processes in implicit and explicit memory.

Science.gov (United States)

Küper, Kristina; Groh-Bordin, Christian; Zimmer, Hubert D; Ecker, Ullrich K H

2012-03-01

The present ERP study investigated the retrieval of task-irrelevant exemplar-specific information under implicit and explicit memory conditions. Subjects completed either an indirect memory test (a natural/artificial judgment) or a direct recognition memory test. Both test groups were presented with new items, identical repetitions, and perceptually different but conceptually similar exemplars of previously seen study objects. Implicit and explicit memory retrieval elicited clearly dissociable ERP components that were differentially affected by exemplar changes from study to test. In the indirect test, identical repetitions, but not different exemplars, elicited a significant ERP repetition priming effect. In contrast, both types of repeated objects gave rise to a reliable old/new effect in the direct test. The results corroborate that implicit and explicit memory fall back on distinct cognitive representation and, more importantly, indicate that these representations differ in the type of stimulus information stored. Implicit retrieval entailed obligatory access to exemplar-specific perceptual information, despite its being task irrelevant. In contrast, explicit retrieval proved to be more flexible with conceptual and perceptual information accessed according to task demands.

Higgs pair production in the MSSM with explicit CP violation

International Nuclear Information System (INIS)

Demir, D.A.

1999-07-01

In the minimal supersymmetric standard model with explicit CP violation, associated production of the lightest Higgs boson with heavier ones is analyzed. Due to explicit CP violation, the Higgs bosons are no longer CP eigenstates so that both of the heavy Higgs bosons contribute to the process. While the radiative corrections in the Higgs sector turn out to be quite important, the vertex radiative corrections remain small as in the CP conserving theory. (author)

Explicit Instruction Elements in Core Reading Programs

Science.gov (United States)

Child, Angela R.

2012-01-01

Classroom teachers are provided instructional recommendations for teaching reading from their adopted core reading programs (CRPs). Explicit instruction elements or what is also called instructional moves, including direct explanation, modeling, guided practice, independent practice, discussion, feedback, and monitoring, were examined within CRP…

Potential profile near singularity point in kinetic Tonks-Langmuir discharges as a function of the ion sources temperature

Science.gov (United States)

Kos, L.; Tskhakaya, D. D.; Jelić, N.

2011-05-01

A plasma-sheath transition analysis requires a reliable mathematical expression for the plasma potential profile Φ(x) near the sheath edge xs in the limit ɛ ≡λD/ℓ =0 (where λD is the Debye length and ℓ is a proper characteristic length of the discharge). Such expressions have been explicitly calculated for the fluid model and the singular (cold ion source) kinetic model, where exact analytic solutions for plasma equation (ɛ =0) are known, but not for the regular (warm ion source) kinetic model, where no analytic solution of the plasma equation has ever been obtained. For the latter case, Riemann [J. Phys. D: Appl. Phys. 24, 493 (1991)] only predicted a general formula assuming relatively high ion-source temperatures, i.e., much higher than the plasma-sheath potential drop. Riemann's formula, however, according to him, never was confirmed in explicit solutions of particular models (e.g., that of Bissell and Johnson [Phys. Fluids 30, 779 (1987)] and Scheuer and Emmert [Phys. Fluids 31, 3645 (1988)]) since "the accuracy of the classical solutions is not sufficient to analyze the sheath vicinity" [Riemann, in Proceedings of the 62nd Annual Gaseous Electronic Conference, APS Meeting Abstracts, Vol. 54 (APS, 2009)]. Therefore, for many years, there has been a need for explicit calculation that might confirm the Riemann's general formula regarding the potential profile at the sheath edge in the cases of regular very warm ion sources. Fortunately, now we are able to achieve a very high accuracy of results [see, e.g., Kos et al., Phys. Plasmas 16, 093503 (2009)]. We perform this task by using both the analytic and the numerical method with explicit Maxwellian and "water-bag" ion source velocity distributions. We find the potential profile near the plasma-sheath edge in the whole range of ion source temperatures of general interest to plasma physics, from zero to "practical infinity." While within limits of "very low" and "relatively high" ion source temperatures

Implicit Motives, Explicit Traits, and Task and Contextual Performance at Work

DEFF Research Database (Denmark)

Lang, J.W.B.; Zettler, Ingo; Ewen, C.

2012-01-01

for implicit achievement). As a test of these theoretical ideas, we report a study in which employees (N = 241) filled out a questionnaire booklet and worked on an improved modern implicit motive measure, the operant motive test. Their supervisors rated their task and contextual performance. Results support 4...... apply these ideas in the context of industrial and organizational psychology and propose that 2 explicit traits work as channels for the expression of 3 core implicit motives in task and contextual job performance (extraversion for implicit affiliation and implicit power; explicit achievement...... of the 6 theoretical predictions and show that interactions between implicit motives and explicit traits increase the explained criterion variance in both task and contextual performance....

The influence of object relative size on priming and explicit memory.

Science.gov (United States)

Uttl, Bob; Graf, Peter; Siegenthaler, Amy L

2008-09-01

We investigated the effects of object relative size on priming and explicit memory for color photos of common objects. Participants were presented with color photos of pairs of objects displayed in either appropriate or inappropriate relative sizes. Implicit memory was assessed by speed of object size ratings whereas explicit memory was assessed by an old/new recognition test. Study-to-test changes in relative size reduced both priming and explicit memory and had large effects for objects displayed in large vs. small size at test. Our findings of substantial size-specific influences on priming with common objects under some but not other conditions are consistent with instance views of object perception and priming but inconsistent with structural description views.

Kinetic theory of age-structured stochastic birth-death processes

Science.gov (United States)

Greenman, Chris D.; Chou, Tom

2016-01-01

Classical age-structured mass-action models such as the McKendrick-von Foerster equation have been extensively studied but are unable to describe stochastic fluctuations or population-size-dependent birth and death rates. Stochastic theories that treat semi-Markov age-dependent processes using, e.g., the Bellman-Harris equation do not resolve a population's age structure and are unable to quantify population-size dependencies. Conversely, current theories that include size-dependent population dynamics (e.g., mathematical models that include carrying capacity such as the logistic equation) cannot be easily extended to take into account age-dependent birth and death rates. In this paper, we present a systematic derivation of a new, fully stochastic kinetic theory for interacting age-structured populations. By defining multiparticle probability density functions, we derive a hierarchy of kinetic equations for the stochastic evolution of an aging population undergoing birth and death. We show that the fully stochastic age-dependent birth-death process precludes factorization of the corresponding probability densities, which then must be solved by using a Bogoliubov--Born--Green--Kirkwood--Yvon-like hierarchy. Explicit solutions are derived in three limits: no birth, no death, and steady state. These are then compared with their corresponding mean-field results. Our results generalize both deterministic models and existing master equation approaches by providing an intuitive and efficient way to simultaneously model age- and population-dependent stochastic dynamics applicable to the study of demography, stem cell dynamics, and disease evolution.

Fenton-like oxidation of 2,4-DCP in aqueous solution using iron-based nanoparticles as the heterogeneous catalyst.

Science.gov (United States)

Li, Renchao; Gao, Ying; Jin, Xiaoying; Chen, Zuliang; Megharaj, Mallavarapu; Naidu, Ravendra

2015-01-15

In this report, various iron-based nanoparticles (nZVI, n-Ni/Fe, n-Pd/Fe) were used for both heterogeneous Fenton oxidation of 2,4-dichlorophenol (2,4-DCP) and reductive dechlorination of 2,4-DCP in order to understand their roles in the Fenton oxidation and the reductive degradation of 2,4-DCP. The dechlorination efficiency of 2,4-DCP using nZVI, n-Ni/Fe, n-Fe/Pd and Fe(2)(+) was 6.48%, 6.80%, 15.95%, 5.02%, while Fenton oxidation efficiency of 2,4-DCP was 57.87%, 34.23%, 27.94%, 19.61% after 180 min, respectively. The new findings included a higher dechlorination using n-Fe/Pd due to Pd effective catalysis and the effective heterogeneous Fenton oxidation using nZVI depending on reductive dechlorination and heterogeneous Fenton oxidation occurs simultaneously. However, nZVI as the potential catalyst for heterogeneous Fenton was observed, and SEM, EDS and XRD demonstrate that change on the nZVI surface occurred due to the Fe(2+) leaching, and Total Organic Carbon (TOC) (30.71%) shows that 2,4-DCP was degraded. Furthermore, the experiment indicates that the pH values and concentration of 2,4-DCP significantly impacted on the heterogeneous Fenton oxidation of 2,4-DCP and the data fits well with the pseudo first-order kinetic model, which was a diffusion-controlled reaction. Finally, a possible mechanism for degradation of 2,4-DCP was proposed. Copyright © 2014 Elsevier Inc. All rights reserved.

Genetic heterogeneity of retinitis pigmentosa

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