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Abstract The electrochemical properties of a perfluorosulfonic acid (PFSA) membrane are estimated using a combination of molecular dynamics simulation and statistical thermodynamic model. We obtain all parameters in an ionic conductivity model from an atomistic simulation and remove all adjusted model parameters. From a microscopic point of view, the hydrated PFSA membrane shows micro-phase segregation which separated into hydrophilic and hydrophobic phases. Our present work originates with this phenomenon and we treat this phase segregation as if it is a continuous phase for each of which the proton (H+) is transported inside the PFSA membrane/solvent (water and alcohols) mixture. The chemical potential for a given system is estimated using a molecular simulation technique to predict the ...

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Classical molecular dynamics simulations are carried out to investigate the salvation shell exchange kinetics of potassium ion in bulk water, chloroform, and carbon tetrachloride. The reactive flux method is used to compute the dissociation rates. The influence of the solvent on the reaction rates and kinetic properties of this exchange process will be discussed. Comparison will be also be made to the prediction of the Grote-Hynes theory.

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We have performed a detailed analysis of water clustering and percolation in hydrated Nafion configurations generated by classical molecular dynamics simulations. Our results show that at low hydration levels H2O molecules are isolated and a continuous hydrogen-bonded network forms as the hydration level is increased. Our quantitative analysis has established a hydration level (?) between 5 and 6 H2O/SO3- as the percolation threshold of Nafion. We have also examined the effect of such a network on proton transport by studying the structural diffusion of protons using the quantum hopping molecular dynamics method. The mean residence time of the proton on a water molecule decreases by two orders of magnitude when the ? value is increased from 5 to 15. The proton diffusion coefficient in Nafion at a ? value of 15 is about 1.1x10-5 cm2/s in agreement with ...

British Library Electronic Table of Contents (United Kingdom)

The interaction between molecules and solid surfaces plays important roles in various applications, including catalysis, sensors, nanoelectronics, and solar cells. Surprisingly, a full understanding of molecule-surface interaction at the quantum mechanical level has not been achieved even for very simple molecules, such as water. In this mini-review, we report recent progresses and current status of studies on interaction between representative molecules and surfaces. Taking water/metal, DNA bases/carbon nanotube, and organic dye molecule/oxide as examples, we focus on the understanding on the microstructure, electronic property, and electron-ion dynamics involved in these systems obtained from first-principles quantum mechanical calculations. We find that a quantum mechanical description ...

UK PubMed Central (United Kingdom)

Combined QM(PM3)/MM molecular dynamics simulations together with QM(DFT)/MM optimizations for key configurations have been performed to elucidate the enzymatic catalysis mechanism on the detoxification...Full Text Available

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Here we present evidence that in water/acetonitrile solvent detailed structural and dynamic information can be obtained for important proteins that are naturally present as oligomers under native conditions. An NMR-derived human insulin monomer structure in H{sub 2}O/CD{sub 3}CN, 65/35 vol%, pH 3.6 is presented and compared with the available X-ray structure of a monomer that forms part of a hexamer (Acta Crystallogr. 2003 Sec. D59, 474) and with NMR structures in water and organic cosolvent. Detailed analysis using PFGSE NMR, temperature-dependent NMR, dilution experiments and CSI proves that the structure is monomeric in the concentration and temperature ranges 0.1-3 mM and 10-30 deg. C, respectively. The presence of long-range interstrand NOEs, as found in the crystal structure of the monomer, provides the evidence for conservation of the tertiary structure. Starting from structures calculated by the program CYANA, two ...

UK PubMed Central (United Kingdom)

A parallel bundle of transmembrane (TM) alpha-helices surrounding a central pore is present in several classes of ion channel, including the nicotinic acetylcholine receptor (nAChR). We have modeled...Full Text Available

UK PubMed Central (United Kingdom)

We use a novel normal mode analysis of an elastic network model drawn from configurations generated during microsecond all-atom molecular dynamics simulations to analyze the mechanism of auto-inhibition...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Solid-state nuclear magnetic resonance (NMR) has been used to explore the nanometer-scale structure of Nafion, the widely used fuel cell membrane, and its composites. We have shown that solid-state NMR can characterize chemical structure and composition, domain size and morphology, internuclear distances, molecular dynamics, etc. The newly-developed water channel model of Nafion has been confirmed, and important characteristic length-scales established. Nafion-based organic and inorganic composites with special properties have also been characterized and their structures elucidated. The morphology of Nafion varies with hydration level, and is reflected in the changes in surface-to-volume (S/V) ratio of the polymer obtained by small-angle X-ray scattering (SAXS). The S/V ratios of different Nafion models have been evaluated numerically. It has been found that only the water channel model gives the ...

Energy Technology Data Exchange (ETDEWEB)

In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.

International Nuclear Information System (INIS)

This paper is concerned with the determination of a unique scaling parameter in complex scaling analysis and with accurate calculation of dynamics resonances. In the preceding paper we have presented a theoretical analysis and provided a formalism for dynamical resonance calculations. In this paper we present accurate numerical results for two non-trivial dynamical processes, namely, models of diatomic molecular predissociation and of barrier potential scattering for resonances. The results presented in this paper confirm our theoretical analysis, remove a theoretical ambiguity on determination of the complex scaling parameter, and provide an improved understanding for dynamical resonance calculations in rigged Hilbert space.

UK PubMed Central (United Kingdom)

We discuss the relationship between the dynamically changing tension gradients required to move water rapidly through the xylem conduits of plants and the proportion of conduits lost through embolism...Full Text Available

International Nuclear Information System (INIS)

Dynamical models are presented that start with interstellar gas in an initial diffuse state and consider their gravitational collapse and the formation of dense cores. Frozen-in tangled magnetic fields are included to mimic forces that might oppose gravitational contraction and whose effectiveness may increase with increasing core densities. Results suggest the possibility that dense cloud cores may be dynamically evolving ephemeral objects, such that their lifespan at a given core density decreases as that density increases. 66 refs.

International Nuclear Information System (INIS)

The antisymmetric many-body trial state which describes a system of interacting fermions is parametrized in terms of localized wave packets. The equations of motion are derived from the time-dependent quantum variational principle. The resulting fermionic molecular dynamics (FMD) equations include a wide range of semi-quantal to classical physics extending from deformed Hartree-Fock theory to newtonian molecular dynamics. Conservation laws are discussed in connection with the choice of the trial state. The model is applied to heavy-ion collisions with which its basic features are illustrated. The results show a great variety of phenomena including deeply inelastic collisions, fusion, incomplete fusion, fragmentation, neck emission, promptly emitted nucleons and evaporation. ((orig.)).

Energy Technology Data Exchange (ETDEWEB)

We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with ...

UK PubMed Central (United Kingdom)

BackgroundGene promoters can be in various epigenetic states and undergo interactions with many molecules in a highly transient, probabilistic and combinatorial way, resulting in...Full Text Available

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Although studied for many years the nature of the light scalar mesons remains controversial. Here we shall present a method, applicable for s-wave states located close to a threshold, that allows one to quantify the molecular part of a given state. When applied to the f{sub 0}(980) a dominance of the molecular component is found. In the second part, we show that requirements of field-theoretic consistency and chiral symmetry, when applied to the scattering of light pseudo-scalars, naturally lead to the appearance of dynamical poles in the scalar sector. A program is proposed on how to further investigate experimentally the mixing between these dynamical states and possible genuine quark states. (orig.)

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The chemistries of reactants, plasticizers, solvents and additives in an epoxy paint are discussed. Polyamide additives may play an important role in the absorption of molecular iodine by epoxy paints. It is recommended that the unsaturation of the polyamide additive in the epoxy cure be determined. Experimental studies of water absorption by epoxy resins are discussed. These studies show that absorption can disrupt hydrogen bonds among segments of the polymers and cause swelling of the polymer. The water absorption increases the diffusion coefficient of water within the polymer. Permanent damage to the polymer can result if water causes hydrolysis of ether linkages. Water desorption studies are recommended to ascertain how water absorption affects epoxy paint.

International Nuclear Information System (INIS)

A formalism for the dynamical treatment of the molecular orbitals of valence nucleons in nucleus-nucleus collisions is developed with the use of the coupled-reaction-channel (CRC) method. The Coriolis coupling effects as well as the finite mass effects of the nucleon are taken into account in this model, of rotating molecular orbitals, RMO. First, the validity of the concept is examined from the viewpoint of the multi-step processes in a standard CRC calculation for systems containing two identical [core] nuclei. The calculations show strong CRC effects particularly in the case where the mixing of different l-parity orbitals - called hybridization in atomic physics - occurs. Then, the RMO representation for active nucleons is applied to the same systems and compared to the CRC results. Its validity is investigated with respect to the radial motion (adiabaticity) and the rotation of the molecular axis ...

UK PubMed Central (United Kingdom)

This article discusses three largely unrecognized aspects related to fluid movement in ocular tissues; namely, a) the dynamic changes in water permeability observed in corneal and conjunctival...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The quality of molecular dynamics (MD) simulations of proteins depends critically on the biomolecular force field that is used. Such force fields are defined by force-field parameter sets, which are generally determined and improved through calibration of properties of small molecules against experimental or theoretical data. By application to large molecules such as proteins, a new force-field parameter set can be validated. We report two 3.5 ns molecular dynamics simulations of hen egg white lysozyme in water applying the widely used GROMOS force-field parameter set 43A1 and a new set 45A3. The two MD ensembles are evaluated against NMR spectroscopic data NOE atom-atom distance bounds, {sup 3}J{sub NH{alpha}} and {sup 3}J{sub {alpha}}{sub {beta}} coupling constants, and {sup 1}5N relaxation data. It is shown that the two sets reproduce structural properties about equally well. The ...

Science.gov (United States)

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, ...

International Nuclear Information System (INIS)

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, ...

Energy Technology Data Exchange (ETDEWEB)

The buckling behaviors of double-walled carbon nanotubes (DWCNTs) under torsion are investigated by using molecular dynamics (MD) simulations. The effect of length on the torsional buckling behaviors of DWCNTs is examined for the first time. The simulation results show that the DWCNTs experience gradual or simultaneous buckling deformations depending on their lengths. In addition, the effect of the inner tube in a DWCNT on its torsional buckling behavior is also examined. The presence of the inner tube triggers van der Waals (vdW) interactions between it and the outer tube and thus leads to a stiffening effect of the DWCNT against torsional deformation. Whether the ends of the inner tube are free or fixed and whether it is subject to a torque or not, the critical torque and the critical torsional angle of the outer tube are only marginally affected.

British Library Electronic Table of Contents (United Kingdom)

Thin films of Ni and Ni alloy have been widely used in microelectromechanical systems (MEMS) and magnetic storage systems. As the dimensions of components in these systems decrease to the micro-scale, even the nano-scale, the interfacial phenomena significantly differ to the counterparts on the macro-scale. A better understanding of micro-/nano-tribology will benefit the fabrication of the small components. In this manuscript parallel molecular dynamics (MD) simulations have been conducted to investigate the nanoscratch behavior of nickel. The simulations are performed for two cases with different indenter shapes. Case I has a sharp indenter, while the indenter in Case II is blunt. It has been found that the indenter shape significantly influences the nanoscratch deformation. The sharp ind...

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One of the technical options being considered for long term disposition of weapons grade plutonium is geologic storage at Yucca Mountain. Multikilogram quantities of plutonium are to be vitrified, placed within a heavy steel container, and buried in the material know as Nevada tuff. It has been postulated that after ten thousand years, geologic and chemical processes would have disintegrated the steel container and created the possibility for plutonium to form mixtures with Nevada tuff and water that could lead to a nuclear explosion in the range of kilotons. A survey and description of critical homogeneous mixtures of plutonium, silicon dioxide, Nevada tuff, and water which also identified the mixture regimes where autocatalytic dynamic behavior is possible was completed. This study is a follow up of this survey and the major objective is to examine the dynamic behavior of the worst case critical and ...

International Nuclear Information System (INIS)

Radial distribution functions of liquid sodium and caesium at 100"0C have been calculated by the method of molecular dynamics with interionic pair potentials derived from Heine-Abarenkov-Shaw type model potential. The results were found to be in good agreement with recent experimental data. (Auth.).

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The authors consider the dynamics of interacting elastic disks in the plane. This is an experimentally realizable two-dimensional model of dry granular flow where the stresses can be visualized using the photoelastic effect. As the elastic disks move in a vacuum, they interact through collisions with each other and with the surrounding geometry. Because of the finite propagation speed of deformations inside each grain it can be difficult to capture computationally even simple experiments involving just a few interacting grains. The goal of this project is to improve our ability to simulate dense granular flow in complex geometry. They begin this process by reviewing some past work, how they can improve upon previous work. the focus of this project is on capturing the elastic dynamics of each grain in an approximate, computationally tractable, model that can be coupled to a molecular dynamics scheme.

British Library Electronic Table of Contents (United Kingdom)

The comprehensive theoretical and experimental study of the adsorption of water and methanol molecules on active sites (carboxyl and phenol hydroxyl groups) on the graphitized thermal carbon black is performed. It is shown that microclusters formed upon the adsorption of these molecules on such sites are characterized by the cyclic structure comprising 4?5 molecules similar to that whose existence was revealed previously in liquid water and on the surface of silver iodide. The analysis of the studied adsorption clusters demonstrated that the formation of such cycles is governed primarily by the hydrogen bonding; however, a definite role is played also by energy effects associated with the changes in the state of molecular motion during adsorption. It is shown that the generalized Langmuir ...

International Nuclear Information System (INIS)

When liquids are confined in nano-scopic dimensions, their properties differ from the corresponding bulk liquid, due to their reduced dimensionality and surface effects. Phase transition temperatures and pressures are often shifted from the bulk values and new phases can appear due to the strong interactions of the molecules with the confining walls. We have studied the structural and dynamical properties of aromatic liquids such as benzene, toluene, and ortho-terphenyl confined in nano-porous materials, MCM-41 and SBA-15, synthesized and characterized in our laboratory. A non-trivial dependence of the glass transition temperature, Tg, on the pore size and surface treatment of nano-porous materials is confirmed and interpreted as resulting from a competition between the fluid-wall and fluid-fluid intermolecular interactions. An increase of Tg is observed for small pore sizes and attractive surface while Tg decreases for non attractive surface, whatever the pore ...

UK PubMed Central (United Kingdom)

The continuous addition of toluene as a solute of treated ballast water from oil tankers into a well-defined estuary facilitated the study of the dynamics of dissolved hydrocarbon metabolism in seawater....Full Text Available

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Advances made in understanding the chemistry and dynamics of the atmosphere in the approximate altitude range of 50 to 90 km are addressed. Attention is given to mesospheric structure and seasonal variations, gravity waves and gravity wave saturation, the effects of gravity waves on thermal, momentum and constituent fluxes, and the effect of gravity waves on airglow emissions. A review of research on tides and planetary waves and their effects on the mesosphere are presented as well as discussions on ozone hydroxyl, water vapor, and noctilucent cloud research. 217 refs.

International Nuclear Information System (INIS)

The lakes formed in the Amazon floodplain play a key role in sustaining the highest populational density in the Amazon Basin because of its high primary productivity. The water volume in these lakes vary greatly during the year and possible water sources are the feeding river during high water state of the hydrographs and local inputs from its drainage basin. As these sources are chemically distinct, to understand the nutrient dynamics in these lakes, it is very important to know the relative water contribution of different water sources. In this paper we use "1"8O as a conservative to know the water sources for the lakes and our hypothesis is that: 1) In the high water stage lake water is derived predominantly from its feeding river. Therefore their #delta#"1"8O should be similar. 2) In the low ...

CERN Document Server

A novel algebraic topology approach to supersymmetry (SUSY) and symmetry breaking in quantum field and quantum gravity theories is presented with a view to developing a wide range of physical applications. These include: controlled nuclear fusion and other nuclear reaction studies in quantum chromodynamics, nonlinear physics at high energy densities, dynamic Jahn-Teller effects, superfluidity, high temperature superconductors, multiple scattering by molecular systems, molecular or atomic paracrystal structures, nanomaterials, ferromagnetism in glassy materials, spin glasses, quantum phase transitions and supergravity. This approach requires a unified conceptual framework that utilizes extended symmetries and quantum groupoid, algebroid and functorial representations of non-Abelian higher dimensional structures pertinent to quantized spacetime topology and state space geometry of quantum operator algebras. Fourier ...

International Nuclear Information System (INIS)

In conventional power plants trash-racks are provided at the intakes to protect the turbines. In pumped storage plants, the draft tube or tailrace must also have trash-racks to protect the units while pumping. Because the loads believed to cause many failures of trash-racks are dynamic in nature, it is important to understand the dynamic characteristics of trash-racks structures in general and a single rack in particular. The classical added-mass solution structure-fluid dynamic interaction is known as an approximate solution procedure. An accurate added-mass approach mixed with implementation in finite element framework is proposed. In this proposal, experimental conclusions, supported by theory, led to presentation of more accurate results in vibration of trash-racks. This numerical solution as a powerful method to solve such a complex problem can be employed to carry out dynamic characteristics of ...

International Nuclear Information System (INIS)

The heavy water reactor such as Wolsung No.1 and No.2 has a purification system to purify the reactor coolant. The control system regulates the coolant temperature to protect the ion exchanger. After the fuel exchanges of operating plant, the increase of the coolant pressure makes the purification temperature control difficult. In this paper, the controllability of the control dynamics of the purification system was analysed and the optimal parameters were proposed. To reduce the effects of the flow disturbance, the feedforward control structure was proposed and analysed.

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The detection of explosives is a notoriously difficult problem, especially at stand-off distances, due to their (generally) low vapor pressure, environmental and matrix interferences, and packaging. We are exploring optimal dynamic detection to exploit the best capabilities of recent advances in laser technology and recent discoveries in optimal shaping of laser pulses for control of molecular processes to significantly enhance the standoff detection of explosives. The core of the ODD-Ex technique is the introduction of optimally shaped laser pulses to simultaneously enhance sensitivity of explosives signatures while reducing the influence of noise and the signals from background interferents in the field (increase selectivity). These goals are being addressed by operating in an optimal nonlinear fashion, typically with a single shaped laser pulse inherently containing within it coherently locked control and probe sub-pulses. With sufficient ...

International Nuclear Information System (INIS)

In this thesis, a new ab-initio method for molecular dynamics within the framework of density functional theory was developed and implemented. It is strongly related to the projector-augmented-wave method (PAW) by P. Bloechl, but also includes elements of a pseudocharge method proposed by M. Weinert for the full-potential linearized augmented plane wave method (FLAPW). Like the FLAPW-method, the PAW-method is an all-electron method. In the later case, the hamiltonian takes quite a simple form similar to the one obtained when using normconserving Kleinman-Bylander-type pseudopotentials or ultrasoft Vanderbilt pseudopotentials. The PAW-method allows for an efficient calculation of systems containing virtually any element of the periodic table, including those which require high numerical effort when treated using normconserving pseudopotentials (e.g. 2p-elements like oxygen or 3d-transitional metals like copper). In addition, a higher accuracy ...

International Nuclear Information System (INIS)

Angelin Pedra is a specie found in the north of Mato Grosso State in Brazil, where an expressive volume of waste of this wood is produced. An alternative to recycle this waste is to produce wood plastic composites. However, structural and chemical investigations are fundamental to generate information for this use. In the present work, low field NMR was used to determine the spin-lattice and spin-spin relaxation times with objective to investigate the molecular dynamic behavior of the alburnu and cerne regions of Angelin Pedra aiming at a potential use of this waste wood in polymeric composites. The results of the proton spin-lattice relaxation time (T1H) and the proton spin-spin relaxation time (T2H) showed at least three different mobility domains for both regions. Among the values, one was very flexible and other was rigid. Knowing that wood is a polymer composite basically constituted by cellulose, hemicellulose and lignin can attribute the ...

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Polyethylene pipes and connections are being widely used in treated water distribution services. Migration of low molecular weight compounds from the polyethylene into the water can change its final quality. This paper is about the concentrations and identification of the migration compounds found in treated water after staying in contact with low and high-density polyethylene. Identification and quantification were carried out using CLSA (Closed Loop Stripping Analysis) extraction technique and gas chromatography coupled to mass spectrometry (HRGC/HRMS). (Author) 12 refs.

British Library Electronic Table of Contents (United Kingdom)

This communication reports the formation of complex Langmuir monolayer at the air-water interface by charge transfer types of interaction with the water soluble N-cetyl Formula Not Shown -trimethyl ammonium bromide (CTAB) molecules doped with rosebengal (RB), with the stearic acid (SA) molecules of a preformed SA Langmuir monolayer. The reaction kinetics of the formation of RB-CTAB-SA complex monolayer was monitored by observing the increase in surface pressure with time while the barrier was kept fixed. Completion of interaction kinetics was confirmed by FTIR study. This complex Langmuir films at the air-water interface was transferred onto solid substrates at a desired surface pressure to form multilayered Langmuir-Blodgett films. Spectroscopic characterizations reveal some molecular lev...

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We report the direct molecular dynamics simulations for molecular ball bearings composed of fullerene molecules (C{sub 60} and C{sub 20}) and multi-walled carbon nanotubes. The comparison of friction levels indicates that fullerene ball bearings have extremely low friction (with minimal frictional forces of 5.283 x 10{sup -7} and 6.768 x 10{sup -7} nN/atom for C{sub 60} and C{sub 20} bearings) and energy dissipation (lowest dissipation per cycle of 0.013 and 0.016 meV/atom for C{sub 60} and C{sub 20} bearings). A single fullerene inside the ball bearings exhibits various motion statuses of mixed translation and rotation. The influences of the shaft's distortion on the long-ranged potential energy and normal force are discussed. The phonic dissipation mechanism leads to a non-monotonic function between the friction and the load rate for the molecular bearings.

Science.gov (United States)

We have developed a transportable container based direct detection Doppler lidar based on the double-edge molecular technique. The pulsed solid state system was built at the University of Geneva. It was used to make range resolved measurements of the atmospheric wind field as part of the VALID campaign at the Observatoire de Haute Provence in Provence, France in July 1999. Comparison of our lidar wind measurements, which were analyzed without knowledge of the results of rawinsonde measurements made under the supervision of ESA, show good agreement with these rawinsondes. These are the first Doppler lidar field measurements made with an eyesafe direct detection molecular-based system at 355 nm and serve as a demonstrator for future spaceborne direct detection wind systems such as the Atmospheric Dynamics mission. Winds are an important contributor to sea surface temperature measurements made with the Tropical Rainfall ...

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We review the development and application of kinetic Monte Carlo simulations to investigate defect and dopant diffusion in ion implanted silicon. In these type of Monte Carlo models, defects and dopants are treated at the atomic scale, and move according to reaction rates given as input principles. These input parameters can be obtained from first principles calculations and/or empirical molecular dynamics simulations, or can be extracted from fits to experimental data. Time and length scales differing several orders of magnitude can be followed with this method, allowing for direct comparison with experiments. The different approaches are explained and some results presented.

Energy Technology Data Exchange (ETDEWEB)

The primary objective is to perform a fundamental study of filtration of nanoparticles, and to obtain filtration knowledge necessary to design particle collection devices/systems for nanoparticle processing and for preventing nanoparticle emissions into the environment. The research covered a wide area relevant to nanoparticle filtration, under these main topics: (1) nanoparticle filtration and molecular dynamics simulation, (2) nanoparticle virtual impactor, (3) particle transport under low pressure, and (4) development of a high-throughput nanoparticle generator. A number of novel tools and numerical models have been developed under the DOE support.

British Library Electronic Table of Contents (United Kingdom)

This paper is devoted to investigate the influences of thermal dispersion and magnetic field on a hot semi-infinite vertical porous plate embedded in a saturated Darcy-Forchheimer-Brinkman porous medium. The coefficient of thermal diffusivity has been assumed to be the sum of the molecular diffusivity and the dynamic diffusivity due to mechanical dispersion. The effects of transverse magnetic field parameter (Hartmann number Ha), Reynolds number Re (different velocities), Prandtl number Pr (different types of fluids) and dispersion parameter on the wall shear stress and the heat transfer rate are discussed.

UK PubMed Central (United Kingdom)

A pulsed field gradient spin echo sequence has been incorporated in a nuclear magnetic resonance (NMR) imaging experiment to provide an image contrast dependent on local molecular self-diffusion. The...Full Text Available

International Nuclear Information System (INIS)

We describe a new apparatus that combines pulsed laser excitation in a molecular beam with surface-science methods for preparation of clean single-crystal surfaces and detection of adsorbates to enable state-selected studies of gas-surface reaction dynamics. Reactant molecules are prepared in specific vibrationally excited states via overtone pumping using tunable, narrow-band laser radiation. The collision-free environment of the molecular beam prevents relaxation of the prepared molecules before impact on the target surface and enables complete control over the collision energy and incidence angle. Chemisorption products are detected after a given deposition time by Auger electron spectroscopy. To achieve sufficient beam flux of state-selected reactant molecules for product detection by standard surface-science techniques, we use a high-intensity, short-pulse molecular-beam source matched to the low ...

International Nuclear Information System (INIS)

A non-linear mathematical model of dynamics of horizontal steam generator for nuclear power unit with WWER type reactor is presented. To realize this model the GEMMA-120 simulation language for computer Odra-1204 has been used. Necessity of taking into account disposited thermal storage capacities along tubulation of a primary cycle is demonstrated. A number of lumped elements of reactor division against a required static accuracy of calculations has been determined. (author).

Energy Technology Data Exchange (ETDEWEB)

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British Library Electronic Table of Contents (United Kingdom)

A study of the ordinary mild steel/cooling water interface, with and without inhibitor, was carried out using electrochemical impedance spectroscopy (EIS). EIS spectra in uninhibited medium reveal that a layer of corrosion and scale products is formed naturally and evolves with the immersion time. Monosaccharides derivatives were used as corrosion inhibitors. Most of them exhibit good behaviour against corrosion of ordinary steel in simulated water systems. Their inhibiting efficiency increases with concentration rise and depends on molecular structure especially -OH groups' position on two adjacent carbons and their number. In addition, the effect of MoO4^2^- on the corrosion inhibition in the presence of the best inhibitor was also studied by EIS. The addition of MoO4^2^- enhanced the in...

Energy Technology Data Exchange (ETDEWEB)

Conditions of the separation and detection of organic and inorganic anions by gradient ion chromatography and suppressed conductivity detection were studied, and the procedure of gradient elution was optimized. A detection limit of 1 x 10{sup -3} {mu}g x L{sup -1} was obtained using the pre-concentrated column and most relative standard deviations obtained in the determination of seven organic and inorganic anions were below 5%. This method was proved to be simple, rapid and accurate for the separation and determination of low-molecular-weight organic acids and inorganic anions and could be applied in the analysis of the samples from water and steam systems of thermal power plants with satisfactory results. (orig.)

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Periphyton is typically a heterogeneous assemblage of filamentous and single celled photoautotrophic and heterotrophic micoorganisms suspended in a mucopolysaccharide matrix which they produce. By definition, the assemblage is attached to a substratum such as rock, sediment, or plant in an aquatic environment. Microtechniques with high spatial and temporal resolution are required to define metabolic interactions among the heterotrophic and autotrophic constituents, and between periphyton and its environment. This study used oxygen sensitive microelectrodes with tip diameters of < 30 m to investigate the effects of photosynthesis and respiration on the oxygen dynamics of several diverse periphyton communities both in situ and in laboratory microcosms. A novel flow-through system that utilized TSP radiotracer and that permitted manipulation of the velocity, flushing rate, and oxygen concentration of overlying water was developed to investigate ...

British Library Electronic Table of Contents (United Kingdom)

Injections of fuel-grade ethanol (95% v/v ethanol, 5% v/v hydrocarbon mixture as a denaturant) near the water table were conducted in two-dimensional physical models tightly packed with fine sands under varying water-table conditions. As the fuel migrated in the porous media following injection, the denaturant phase separated leaving a residual Light Non-Aqueous Phase Liquid (LNAPL) phase that occupied a region with a volume similar to that of an equal-sized spill of 100% LNAPL without ethanol. When the water table was raised, as may be expected following a catastrophic release that reaches groundwater, most of the ethanol-fuel mixture was mobilized and the vertical distribution of the generated LNAPL was increased. The lower boundary of the residual LNAPL was established during the initia...

Energy Technology Data Exchange (ETDEWEB)

Molecular simulation aims at simulating particles in interaction, describing a physico-chemical system. When considering Markov Chain Monte Carlo sampling in this context, we often meet the same problem of statistical efficiency as with Molecular Dynamics for the simulation of complex molecules (polymers for example). The search for a correct sampling of the space of possible configurations with respect to the Boltzmann-Gibbs distribution is directly related to the statistical efficiency of such algorithms (i.e. the ability of rapidly providing uncorrelated states covering all the configuration space). We investigated how to improve this efficiency with the help of Artificial Evolution (AE). AE algorithms form a class of stochastic optimization algorithms inspired by Darwinian evolution. Efficiency measures that can be turned into efficiency criteria have been first searched before identifying parameters that could be ...

Science.gov (United States)

Not Available

Energy Technology Data Exchange (ETDEWEB)

Cryogenic distillation is the main industrial method for separating hydrogen's isotopes, because it presents the advantage of high separating factors and also the possibility of processing great quantities of gases. In the case of multicomponent mixtures the determination of transport for molecular species between the two phases is very difficult owing to the particularities of physical characteristics of each component from the mixture. The transport of molecular species is also strongly influenced by the hydrodynamics of two phases, in strong connection with the dimension of the interface between the vapor and liquid phase. The characteristics of the interface depend on the type and geometry of the separation area: plates or package. The traditional methods of analysis for exchange processes use the concept 'theoretic plate', a physical entity for which the values of concentrations for vapors and liquid that leaves ...

International Nuclear Information System (INIS)

The proposed Sudbury Neutrino Observatory is based on a Cherenkov detector which has a total of 1000 tonne of heavy water and 1800 tonne of light water for its sensitive volume. The detector is optimized for the measurement of extra-terrestrial low energy electron neutrinos and electron antineutrinos spectra as well as the total neutrino flux independent of neutrino flavours. It will delineate the Standard Solar Model and neutrino propagation aspects of the solar neutrino problem, provide detailed information on the dynamics of stellar collapse and measure neutrino masses and oscillation parameters with high sensitivity.

Energy Technology Data Exchange (ETDEWEB)

Visualizations by real-time neutron radiography are demonstrated of various flow patterns of nitrogen gas-water two-phase flow in a stainless-steel tube, water inverted annular flow in a stainless-steel tube, flashing flow in an aluminium nozzle and fluidized bed in aluminium tube and vessels. Photographs every 1/60 s are presented by an image processing method to show the dynamic behaviours of the various flow patterns. It is shown that this visualization method can be applied efficiently to multiphase flow researches and will be applicable to multiphase flows in industrial machines. (author).

Energy Technology Data Exchange (ETDEWEB)

The results of an investigation of the effects of several parameters on the reactivity instability of a Boiling Water Reactor (BWR) calculational model are summarized. Calculations were performed for a typical BWR operated at low flow conditions, where reactivity instabilities are more likely to occur. The parameters investigated include the axial power shape (characterized by two separate parameters), the core pressure, and operating flow. All calculations were performed using the LAPUR code which was developed at the Oak Ridge National Laboratory for the dynamic modeling of large BWR's. 4 refs., 8 figs.

Energy Technology Data Exchange (ETDEWEB)

Results are presented of molecular dynamics (MD) studies of 1-10 keV displacement cascades in silicon. At these energies, the simulations couple directly to experimental observations of low energy implantation in silicon for shallow junction formation. The simulations are performed with the Stillinger-Weber potential for silicon in computational cells with up to 3.5x10{sup 5} atoms. The author employs periodic boundary conditions in the [100] and [010] directions and a free surface on the top (001) plane. The author discusses the results in terms of the structural evolution and the dynamics of the cascade zones. For sufficiently high energy recoils (>2 KeV), the cascades produce locally molten zones that result in the formation of amorphous silicon pockets upon recrystallization. Frenkel pairs are also produced during the cascade, although their number is very small (less than 10% of the binary collision predictions). ...

Energy Technology Data Exchange (ETDEWEB)

Quantitative digital imaging, using planar laser light scattering techniques is being developed for the analysis of turbulent and reacting flows. Quantitative image data, implying both a direct relation to flowfield variables as well as sufficient signal and spatial dynamic range, can be readily processed to yield two-dimensional distributions of flowfield scalars and in turn two-dimensional images of gradients and turbulence scales. Much of the development of imaging techniques to date has concentrated on understanding the requisite molecular spectroscopy and collision dynamics to be able to determine how flowfield variable information is encoded into the measured signal. From this standpoint the image is seen as a collection of single point measurements. The present effort aims at realizing necessary improvements in signal and spatial dynamic range, signal-to-noise ratio and spatial resolution in the ...

Energy Technology Data Exchange (ETDEWEB)

Samples of ultra-high molecular weight polyethylene (UHMWPE) and nylon 66, of grades suitable for use in medical prostheses, were subjected to irradiation using a /sup 60/Co source. The effects of a 10 Mrad dose on percentage crystallinity, tensile behaviour and dynamic mechanical response were established 3 days after irradiation at intervals over a one year period. Crystallinity in UHMWPE was found to increase progressively during this period with consequent changes in mechanical behaviour. It is proposed that the observed ageing process arises from the breakdown of metastable groups in the polymer, which are formed on irradiation, with consequent release of long inter-lamella tie chains. This removes an inhibition to crystal perfection processes, which can occur at room temperature in polyethylene. Infra-red spectroscopic evidence supports the proposal that the metastable species is peroxy or hydroperoxy and that this decomposes on ageing to ...

British Library Electronic Table of Contents (United Kingdom)

The interfacial tension g of the hexane solution of 1H,1H,10H,10H-perfluorodecane-1,10-diol (FC10diol) and 1H,1H,2H,2H-perfluorododecanol (TFC12OH) mixture against water was measured as a function of the total molality m and composition of TFC12OH in the mixture X2 at 298.15K under atmospheric pressure. The interfacial pressure p vs. mean area per adsorbed molecule A curves and the phase diagram of adsorption (PDA) were constructed in order to shed light on the effect of the molecular orientation on the state of and the miscibility of FC10diol and TFC12OH in the adsorbed film. The p vs. A curves demonstrated that the mixed system exhibits three kinds of film states, parallel-condensed, normal-condensed, and multilayer states, depending on m and X2. The PDA indicated that film composition X...

International Nuclear Information System (INIS)

A series of real-time, neutron radiography, experiments are ongoing at the Texas A and M Nuclear Science Center Reactor (NSCR). These tests determine the resolving capabilities for radiographic imaging of two phase water and air flow regimes through small diameter flow channels. Though both film and video radiographic imaging is available, the real-time video imaging was selected to capture the dynamic flow patterns with results that continue to improve. (author)

DEFF Research Database (Denmark)

Stereoscopic Particle Image Velocimetry (PIV) measurements are made in horizontal planes in a simplified scale model of a spray dryer using water as fluid. The sample rate was sufficient to resolve phenomena at lower frequencies. Data reveal asymmetric velocity fields in both mean fields and dynamics. Data were analysed using Proper Orthogonal Decomposition (POD). An important periodic event is an elongation of the jet core cross section that results in a downstream displacement of the jet towards the chamber wall.

Wastenet

...] Responsibility and the Big Society by Antje Bednarek [Downloadable!] Friendship Dynamics Between Emotions and Trials by Paola Rebughini [Downloadable!] On Friendship, Equality and Introductions: Comparing English and German Regimes of Manners and Emotions by Cas Wouters [Downloadable!] Fees, Funding and Overseas Study: Mobile UK Students and Educational Inequalities by Rachel Brooks & Johanna Waters [Downloadable!] The Subject of Functional Foods: Accounts of Using Foods Containing Phytosterols by Kate Weiner [Downloadable!] Paradoxes and Pitfalls in ...

International Nuclear Information System (INIS)

This book presents the papers given at a conference on two-phase flow. Topics considered at the conference included the thermal hydraulics of a feedwater pipe breakage, pressure losses, measurement of void fraction in a rod bundle, laminar filmwise condensation, natural circulation, flow models, bubble dynamics, cavitation, water hammer, and heat transfer augmentation.

CERN Document Server

Acoustic waves propagation of in composite of water with embedded double-layered silicone resin/silver rods is considered. Approximate values of effective dynamical constitutive parameters are obtained. Frequency ranges of simultaneous negative constitutive parameters are found. Localized surface states on the interface between metamaterial and ``normal'' material are found. Doppler effect in metamaterial is considered. Presence of anomalous modes is shown.

International Nuclear Information System (INIS)

Capsulation of terbium(III) chloride in porous glass in the amount of 1.5-150 #mu#mole g"-"1 was carried out by impregnation of the glass substrate with variable concentrations of the salt aqueous solutions. Maximum luminosity of terbium(III) chloride in porous glass is found at its concentration of 120 #mu#mole g"-"1, that is close to the corresponding monolayer surface filling. Concentration dependences of terbium(III) luminescence and its quenching by adsorbed water are in agreement with the ideas of molecular fragmentation and uniform distribution of capsulated salt on the substrate surface

British Library Electronic Table of Contents (United Kingdom)

Recent advances in nanoscience have raised interest in the minimum bit size required for classical information storage. This bit size is determined by the necessity for bistability with suppressed quantum tunnelling and energy barriers that exceed ambient temperatures. In the case of magnetic information storage, much attention has centred on molecular magnets with bits consisting of about 100 atoms, magnetic uniaxial anisotropy energy barriers of about 50?K and very slow relaxation at low temperatures. Here, we draw attention to the remarkable magnetic properties of some transition-metal dimers, which have energy barriers approaching 500?K with only two atoms. The spin dynamics of these ultrasmall nanomagnets is strongly affected by a Berry phase, which arises from quasi-degen...

British Library Electronic Table of Contents (United Kingdom)

In this study, the thermodynamic stability of the grain boundaries and the grain growth of nanocrystalline Palladium (Pd) at various temperatures were investigated. For this purpose, the Gibbs free energy curves of grain boundaries were plotted in terms of the excess volume by the use of the equation of state (EOS) and Song's thermodynamic models. The results showed that, according to the prediction of these models, the nanocrystalline growth in metals was stopped at the grain sizes less than the critical grain size. Also, the results of the temperature variations and its effect on the Gibbs free energy curves showed that by the increase of the temperature, the possibility for the stoppage of grain growth is facilitated and the critical grain size is increased. To investigate the validity ...

British Library Electronic Table of Contents (United Kingdom)

A study of elliptical flow is carried out for different mass asymmetries of colliding nuclei using the reactions of Formula Not Shown ( Formula Not Shown ), Formula Not Shown ( Formula Not Shown ) and Formula Not Shown ( Formula Not Shown ). The present reactions are simulated at incident energies between 50 and 250 MeV/nucleon within the framework of isospin-dependent quantum molecular dynamics model. For the present analysis, total mass of colliding pairs is kept fixed and mass asymmetry is varied between 0.3 and 0.7. The elliptical flow shows a transition from in-plane to out-of-plane in the mid rapidity region with incident energy. The transition energy is found to increase with the mass asymmetry for light charged particles. A good agreement is obtained with experimental measurements.

Energy Technology Data Exchange (ETDEWEB)

Protein motions on all timescales faster than molecular tumbling are encoded in the spectral density. The dissection of complex protein dynamics is typically performed using relaxation rates determined at high and ultra-high field. Here we expand this range of the spectral density to low fields through field cycling using the nucleocapsid protein of the SARS coronavirus as a model system. The field-cycling approach enables site-specific measurements of R{sub 1} at low fields with the sensitivity and resolution of a high-field magnet. These data, together with high-field relaxation and heteronuclear NOE, provide evidence for correlated rigid-body motions of the entire {beta}-hairpin, and corresponding motions of adjacent loops with a time constant of 0.8 ns (mesodynamics). MD simulations substantiate these findings and provide direct verification of the time scale and collective nature of these motions.

DEFF Research Database (Denmark)

The determination of conformational preferences in unfolded and disordered proteins is an important challenge in structural biology. We here describe an algorithm to optimize energy functions for the simulation of unfolded proteins. The procedure is based on the maximum likelihood principle and employs a fast and efficient gradient descent method to find the set of parameters of the energy function that best explain the experimental data. We first validate the method by using synthetic reference data, and subsequently apply the algorithms to data from nuclear magnetic resonance spin-labeling experiments on the Delta 131 Delta fragment of Staphylococcal nuclease. A significant strength of the procedure that we present is that it directly uses experimental data to optimize the energy parameters, without relying on the availability of high resolution structures. The procedure is fully general and can be applied to a range of experimental data and energy functions including the force ...

International Nuclear Information System (INIS)

We present results of multiple-time-scale simulations of 5, 10 and 15 keV low temperature ion implantation of arsenic on silicon (100), followed by high temperature anneals. The simulations start with a molecular dynamics (MD) calculation of the primary state of damage after 10ps. The results are then coupled to a kinetic Monte Carlo (MC) simulation of bulk defect diffusion and clustering. Dose accumulation is achieved considering that at low temperatures the damage produced in the lattice is stable. After the desired dose is accumulated, the system is annealed at 800 degrees C for several seconds. The results provide information on the evolution for the damage microstructure over macroscopic length and time scales and affords direct comparison to experimental results. We discuss the database of inputs to the MC model and how it affects the diffusion process.

British Library Electronic Table of Contents (United Kingdom)

The atomic mechanism of a glass-to-liquid transition in a monatomic Lennard-Jones (LJ) glass was studied using the molecular dynamics (MD) method. Glassy models were heated up from low temperature at two different heating rates and a glass-to-liquid transition found to occur at the higher heating rate. The temperature dependence of the potential energy, mean-squared-displacements (MSD) of the atoms and the self-intermediate scattering function indicate clearly that a glass transition occurs in the system. The atomic mechanism of the glass-to-liquid transition was investigated by analyzing the spatio-temporal arrangement of liquid-like atoms in the system upon heating. Liquid-like atoms were detected using the Lindemann-melting-like criterion. Upon heating, liquid-like atoms occur at temper...

International Nuclear Information System (INIS)

This study revisits the environmental Kuznets curve (EKC) hypothesis for water pollution by using a recent dynamic technique, which is the generalized method of moments (GMM) approach, for a board sample of 97 countries during the period 1980-2001. On a global scale, as we cannot obtain the EKC relationship between real income and biological oxygen demand (BOD) emissions, this paper further classifies these countries into four regional groups - Africa, Asia and Oceania, America, and Europe - to explore whether the different regions have different ECK relationships. The empirical results show evidence of the inverted U-shaped EKC relationships' existence in America and Europe, but not in Africa and Asia and Oceania. Thus, the regional difference of EKC for water pollution is supported. Furthermore, the estimated turning points are, approximately, US$13,956 and US$38,221 for America and Europe, respectively.

British Library Electronic Table of Contents (United Kingdom)

Changing water demands induced through climate change and a growing biofuel energy sector throughout the western States are expected to increase pressures on the present allocation mechanisms for an increasingly scarce resource, raising uncertainty about the sustainability of irrigated agriculture in the West. In this paper, we first present the policy motivation for examining continued producer adoption of water conserving irrigation production systems as a foundation for providing a sustainable future for western irrigated agriculture. Second, we summarize the historical transitions that help to define the adjustment path to increased sustainability for the sector. While western irrigated agriculture is on a path toward greater sustainability, evidence suggests that the sustainability go...

Energy Technology Data Exchange (ETDEWEB)

This article provides a survey of neutron scattering experiments in condensed matter research, which are of interest to chemistry. The theoretical background has been treated in a previous issue. The present article consists of two parts. The first part exhibits the range of experimental possibilities by means of a few selected examples. The starting point is classical neutron diffraction by which the position of atomic nuclei may be determined. Additional information on the spatial distribution in the outer electron shells may be obtained via combined X-ray/neutron-diffraction experiments or via the diffraction of polarized neutrons. Progress in instrumentation, due to the development of more intense sources, has influenced especially the fields of small angle scattering and spectroscopy. The second part features domains of research of current interest, where a combination of several neutron scattering techniques may prove to be necessary. Thus, the kinetics of structural processes ...

Energy Technology Data Exchange (ETDEWEB)

Products having balanced melting point and decomposition temperature have been developed by employing nylon 6T fundamental molecular structure and selected copolymer components, Arlen being one of the products. It has heat resistance as good as that of super-engineering plastics, low water absorption, and excellent cost-performance which can be used for normal injection molding machines. The unit price per kilogram is low when its high heat resistance is taken into consideration. The coefficient of water absorption is as low as about 1/3 of that of nylon 66, and it can be considered to be a low water absorbing amide. The molding temperature is from 320[degree]C to 350[degree]C, the decomposition temperature is 395[degree]C at 2% weight decreasing temperature, and normal injection molding can be employed. It has excellent soldering resistance, high temperature rigidity, dimensional stability, ...

British Library Electronic Table of Contents (United Kingdom)

The Taiwan Strait is an important channel in the west Pacific Ocean transporting water and chemical constituents between the East China Sea and the South China Sea. Due to its complex bottom topography, alternating monsoon forcing and conjunction of several current systems [such as the Zhejiang-Fujian (Zhe-Min) Coastal Current, the Kuroshio intrusion and the extension of the South China Sea Warm Current], the physical and biogeochemical processes and ecosystem dynamics in the Taiwan Strait vary significantly both in space and in time. Our recent interdisciplinary studies, combining in situ and remote sensing observations with numerical modeling, allow us to address several important issues concerning the Taiwan Strait. The temporal and spatial variation of circulation in the Taiwan Strait ...

CERN Document Server

The composition of the lower mantle can be investigated by examining densities and seismic velocities of compositional models as functions of depth. In order to do this, it is necessary to know the volumes and thermoelastic properties of the compositional constituents under lower mantle conditions. We determined the thermal equation of state (EoS) of MgSiO3 perovskite using the non-empirical VIB interatomic potential with molecular dynamics simulations at pressures and temperatures of the lower mantle. We fit our P-V-T results to a thermal EoS of the form P(V,T) = P0(V,T0) + Delta Pth(T), where T0 = 300 K and P0 is the isothermal Universal EoS. The thermal pressure Delta Pth can be represented by a linear relationship Delta Pth = a + b T. We find V0 = 165.40 A^3, KT0 = 273 GPa, K'T0 = 3.86, a = -1.99 GPa, and b = 0.00664 GPa/K for pressures of 0-140 GPa and temperatures of 300-3000 K. By fixing V0 to the experimentally determined value of ...

International Nuclear Information System (INIS)

Ab initio total energy calculations within the framework of density functional theory have been performed for water molecule adsorption on the (0001) surface of double hexagonal packed americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method (FP-L/APW+lo). Subsequent partial dissociation (OH+H) and complete dissociation (H+O+H) of the water molecule have been examined. The completely dissociated H+O+H configuration exhibit the strongest binding with the surface (3.35 eV), followed by partially dissociated species OH+H (2.23 eV), with all molecular H_2O configurations showing weak physisorption (0.366 eV). For molecular adsorptions, the flat lying orientation of the water molecule if found to be more favorable for majority of the cases. In the case of partial dissociation (OH+H), the vertical orientation of OH molecule with O facing the ...

International Nuclear Information System (INIS)

Full text: During JET operations, tritium contaminated waste is generated principally but not exclusively from 'intervention' work and from removing or replacing redundant items. It is essential for JET and for any future fusion plant to have available a route for managing each waste stream however large or small, both during operation and decommissioning of the plant. The long term outcome is to have for each tritiated waste stream from JET a route for its management leading to its eventual disposal or recycling (and thus to be available for similar waste streams which will be produced by ITER operations). Since several years SCK#centre dot#CEN has been developing techniques for the treatment of tritiated waste. Amongst them, technologies for water detritiation, for the treatment of tritiated organic liquids and for the decontamination of several types of solid tritiated waste. Our R and D focuses on the development of a system to decontaminate surface ...

KoreaScience (Korea)

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International Nuclear Information System (INIS)

Decommissioning of radiological and nuclear installations is for this century the new challenge. One of the performance criteria is the reduction of total quantities of radioactive materials (liquid or solid) arising from dismantling and decontamination of radiological and nuclear installations. In this work we present a new application of the water soluble polymers used as: - flocculation agents in treatment and conditioning process within the management of radioactive liquid materials; - strippable coatings on solid materials based on the water soluble polymers. The parameters of water soluble polymers made in our Institute by radiation processing have been analysed, namely the molecular average weight, composition, and efficiency of utilization of these polymeric materials as well as the content of ash, additives, decontamination factor, consumption per surfaces/liter, corrosion aspects, ...

Wastenet

...specialised laboratories for pharmaceutics, tissue culture and molecular biology Excellent Laboratory Facilities Tissue Culture Facilities Molecular Biology Laboratory ...

Energy Technology Data Exchange (ETDEWEB)

The Argonne Boundary Layer Experiments (ABLE) facility, located in south central Kansas, east of Wichita, is devoted primarily to investigations of and within the planetary boundary layer (PBL), including the dynamics of the mixed layer during both day and night; effects of varying land use and land form; the interactive role of precipitation, runoff, and soil moisture; storm development; and energy budgets on scales of 10 to 100 km. Located entirely within the Walnut River watershed, ABLE provides intense measurements within the northeast quadrant (Fig. 1) of the Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) of the Atmospheric Radiation Measurement (ARM) Program (Stokes and Schwarz, 1994). By combining the continuous measurements of ABLE with ancillary continuous measurements of, for example, the ARM and the Global Energy Water cycle Experiment (GEWEX) (Kinster and Shukla, 1990) programs, ABLE provides a platform within which ...

International Nuclear Information System (INIS)

The release rate of a nuclide from a reactor or a radioactive waste disposal plant at the accident is not steady, but varies with time. The various parameters of a nuclide migration into environment vary also day after day, or with the seasons. In such cases, dynamic behavior of the nuclide in the environment must be taken into consideration. It is difficult for a mathematical model to involve all of mechanisms for the nuclide migration. The environment for evaluation of doses are usually divided into some of compartments in which a nuclide concentration is uniform. Time variations of the nuclide concentration in the compartment are described in simultaneous differential equations. The nuclide concentration can be solved as a time function, and the radiation doses, therefore, can be estimated as a time function. Generic analysis code for dynamic compartment model (GACOM) is developed for the nuclide migration and the evaluation of doses in ...

Energy Technology Data Exchange (ETDEWEB)

Moving out of the scientific community research laboratories, computational fluid dynamics (CFD) software packages are now allowing industrials to analyse and optimize industrial processes involving the use of gases, liquids and even some two-phase fluids. Their attractiveness and their impact stems out from the opportunity they offer to bring insight into an existing unit, or even at the design stage, by displaying the spatial distribution of process relevant variables such as temperature, concentration. The filling of the spacing in between a two-layer window is a simple example. This new opportunity of visualisation is at times an unique way, when the process environment is an opaque one, such as liquid metal flowing into a tundish or when measurements of flows may be a long and tedious work, such as flows within water treatment basins. This environment we are to investigate in order to optimize can also be a harsh one, due to its high ...

Science.gov (United States)

Analysis of ENSO Dynamics and ThermoDynamics in the Western Pacific Warm Pool - An Application of Multi-Sensor Satellite Observations. ...

International Nuclear Information System (INIS)

The multidimensional countercurrent two-phase flow regimes that occur in a pressurized-water reactor (PWR) vessel downcomer during the refill phase of a large-break loss-of-coolant accident are studied using a transparent 1/10 scale model of a PWR vessel. The various flow regimes and their distribution in the downcomer have been identified and mapped for a range of air-water flooding experiments. The two-phase flow patterns that are identified in the downcomer included various types of film flows, droplet flows, countercurrent churn flows and cocurrent flows depending on the flooding condition. Through observation of the two-phase flow dynamics it was deduced that the physical mechanisms associated with the flooding processes could be separated into a liquid entrainment process and a film flow reversal process. In addition to the above exercise, the effect of non-uniform injection of water into the ...

Science.gov (United States)

Measurements of PEM fuel cell device performance were made with different gas inlet temperatures and relative humidity using a newly-designed test fixture. Significant improvement in device performance was observed when the fuel inlet temperature was increased above the operating temperature of the cell. These measurements were then correlated to a model to describe energy and mass transport processes. Proton exchange membrane (PEM), fuel cells--the focus of this study--use an ion conducting polymer, especially polyperfluorosulfonic acid materials. These polymer materials, when imbibed with water, exhibit solution-like properties, but because the anions are chemically bound to the polymeric structure, the electrolyte is contained. Importantly, product water removal is simplified, as electrolyte dilution is not a concern. However, the proton transport rate is a function of the polymer geometry, which is set, in part, by the polymer ...

Science.gov (United States)

An optimal deployment pattern of flux mapping detectors for a Canada uranium-deuterium (CANDU)-600 pressurized heavy water reactor (PHWR) is determined by obtaining an optimal feedback relationship between flux measurements and zone controllers. The reactor core is modeled with a time-dependent two-group, two-dimensional diffusion equation, and flux perturbation are expressed by model expansions. The modal expansion coefficients are used as elements of the state vector representing the system dynamics. An optimal feedback matrix connecting the flux measurement vector to the control vector is derived by minimizing a quadratic performance index involving both the state and control vectors. We obtain the detector effectiveness in terms of the optimal feedback matrix and determine optimal detector locations for the Wolsung Unit 1 reactor in Korea. We have tested the methodology through evaluation of flux maps generated through the CANDU flux ...

Energy Technology Data Exchange (ETDEWEB)

The present volume on modeling of batteries and fuel cells discusses the significance of the effectiveness factor for flooded porous electrodes, active pore distribution spectroscopy for characterizing porous battery electrodes, the agglomerate model for porous electrodes, and dynamic-performance measurements of battery cells for electric vehicles and other applications. Attention is given to mathematical modeling of a primary zinc/air battery, mathematical modeling of Grace Li-TiS2 cells, modeling of electrocrystallization processes in battery systems, and rotating disk electrode studies in molten Li/K carbonate eutectic. Topics addressed include the variability of nickel oxide cathode dissolution in molten carbonate fuel cells, water transport properties of fuel cell ionomers, modeling water content effects in polymer electrolyte fuel cells, and computer algebra applied in electrochemistry and fuel cell modeling.

British Library Electronic Table of Contents (United Kingdom)

This paper investigates the relationship between environmental pollution and economic growth in China based on the environmental Kuznets curve hypothesis, using Chinese provincial data over 1985?2005. Waste gas, waste water and solid wastes are used as environmental indicators and GDP is used as the economic indicator. It is found by panel cointegration test that there is a long-run cointegrating relationship between the per capita emission of three pollutants and the per capita GDP. According to comparisons with the dynamic OLS estimator and the Within OLS estimator, we find that panel cointegration estimation is preferable for all pollutants except for solid wastes. The results also show that all three pollutants are inverse U-shaped, and water pollution has been improved earlier than ga...

Energy Technology Data Exchange (ETDEWEB)

Real-time neutron radiography is being evaluated for studying the dynamic behavior of two phase flow and for measuring void fraction in vertical and inclined water ducts. This technique provides a unique means of visualizing the behavior of fluid flow inside thick metal enclosures. To simulate vapor conditions encountered in a fluid flow duct, an air-water flow system was constructed. Air was injected into the bottom of the duct at flow rates up to 0.47 I/s (1 cfm). The water flow rate was varied between 0--3.78 I/m (0--1 gpm). The experiments were performed at the Pennsylvania State University nuclear reactor facility using a real-time neutron radiography camera. With a thermal neutron flux on the order of 10{sup 6}n/cm{sup 2}/s directed through the thin duct dimension, the dynamic behavior of the air bubbles was clearly visible through 5 cm (2 in.) thick aluminum support plates ...

International Nuclear Information System (INIS)

Most of all research reactors are immerged in the deep water pool to be a ultimate heat sink. At the neighbor of the reactor, some radio-active matters, such as Na-24, Ar-41, Mg-27, Al-28 and etc, may be generated by the neutron irradiation. Those radio-active isotopes may rise up to the pool water surface through the natural convection flow, which can make the radioactivity in the reactor hall rise high enough to concern about the health of people working in the reactor hall. When the irradiation test facilities are loaded or unloaded during a normal operation, the highly radio-activated primary coolant may flow out through the irradiation test holes on the top of the reactor. This also may be a main hazard source to make the working environment of the reactor hall bad. Making a hot water layer 1.5 ? 2.0 m thick at the top of reactor pool would be a good measure to resolve that problem. The hot water ...

Energy Technology Data Exchange (ETDEWEB)

A reliable source of specific criteria for recognizing a wetland, as defined for regulatory purposes would be valuable. In 1987 the Army Corps of Engineers developed a technical manual for identifying wetlands (1987 Wetlands Manual). An interagency manual (1989 Wetlands Manual) was later developed. This manual has been used to identify wetlands according to three evidentiary factors: vegetation, hydrology, and soil. This paper addresses the development of criteria to delineate wetlands, and describes some of the logic used by federal courts to uphold the limited constitutional use of the 1989 Wetlands Manual.

Energy Technology Data Exchange (ETDEWEB)

The UFIP (French Petroleum Industry Association) studies concerning polluted sites and soils and their rehabilitation are presented: characterization of the admissible maximum fuel or gas oil content in the ground, the issue of time effects, and the risks it may induce for public health; study on the various pollutant impacts on the environment (underground waters, biotope...); approach to the development of a dynamical model describing these phenomena and their influence on man, in order to derive consistent and reasonable decontamination objectives

Energy Technology Data Exchange (ETDEWEB)

Microwave assisted extraction (MAE) is a combination of a microwave technique and conventional solvent extraction used in the modernization of traditional Chinese medicine. The effective component of medicinal herbs is mostly cellular material which can be released via solvent extraction. The material is diffused to solvents via the porous membrane wall. The structure of herb morphology and characteristics of the solute's molecular weight play an important role in the extraction process of target compounds. Astragalus pieces were chosen for this study in which an ultra-filtration membrane method was used to determine the molecular weight distribution characteristics of Astragalus water extraction liquid in the process of MAE. The fine structure of matrix materials was also characterized by scanning election microscopy (SEM). The phenomenon of mass flow and mass transfer in the plant porous media was discussed along ...

British Library Electronic Table of Contents (United Kingdom)

Summary The objective of this study was to examine the role of root carbohydrate levels and metabolism in the waterlogging tolerance of contrasting mung bean genotypes. An experiment was conducted with two cultivated mung bean (Vigna radiata) genotypes viz., T44 (tolerant) and Pusa Baisakhi (PB) (susceptible), and a wild Vigna species Vigna luteola under pot-culture to study the physiological and molecular mechanism of waterlogging tolerance. Waterlogging resulted in decrease in relative water content (RWC), membrane stability index (MSI) in root and leaf tissues, and chlorophyll (Chl) content in leaves, while the Chl a/b ratio increased. Waterlogging-induced decline in RWC, MSI, Chl and increase in Chl a/b ratio was greater in PB than V. luteola and T44. Waterlogging caused decline in tot...

British Library Electronic Table of Contents (United Kingdom)

In order to investigate the antioxidant properties of the polysaccharides from the brown alga Sargassum fusiforme, the crude polysaccharides from S. fusiforme (SFPS) were extracted in hot water, and the lipid peroxidation inhibition assay exhibited that SFPS possessed a potential antioxidant activity. Hence, two purely polymeric fractions, SFPS-1 and SFPS-2 were isolated by the column of DEAE (2-diethylaminoethanol)-Sepharose Fast Flow, with their molecular weights of 51.4 and 30.3 kDa determined by high performance gel permeation chromatography (HPGPC). They were preliminarily characterized using chemical analysis in combination of infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies and found to contain large amounts of uronic acids and ?-glycosidical linkages. The antioxida...

British Library Electronic Table of Contents (United Kingdom)

Background: We consider cells as biological systems that process information by means of molecular codes. Many studies analyze cellular information processing exclusively in syntactic terms (e.g., by measuring Shannon entropy of sets of macromolecules), and abstract completely from semantic aspects that are related to the meaning of molecular information. Methods: This mini-review focusses on semantic aspects of molecular information, particularly on codes that organize the semantic dimension of molecular information. First, a general conceptual framework for describing molecular information is proposed. Second, some examples of molecular codes are presented. Third, a mathematical approach that makes the identification of molecular codes in reaction networks possible, is developed. Results...

Science.gov (United States)

White spot syndrome virus (WSSV) is the causative agent of the white spot disease of shrimp. Penaeus monodon were captured from Muttukadu Estuary in Chennai, India, transported to the laboratory and maintained in an aerated system with continuous water circulation-biofiltration. WSSV-free P. monodon were challenged by feeding them only once with WSSV-infected tissues of P. monodon. Cumulative mortality (100%) of the infected individuals was determined. Tissues from infected and uninfected shrimp such as muscles, hepatopancreas, heart, gills and eye tissues (100mg of each) and haemolymph (50 microl) were subjected to SDS-PAGE. In infected muscle tissue, six newly expressed proteins were detected. In infected haemolymph, four new proteins and three intensely expressed high molecular weight proteins were observed. Three intensely expressed high molecular weight proteins were detected in infected heart tissue and two new ...

British Library Electronic Table of Contents (United Kingdom)

The parmbsc0 force field was applied to study in detail the binding of netropsin, at a salt concentration of 0.28M Na^+, to the minor groove of an 8-mer (5'CCAATTGG)2 DNA duplex forming a netropsin.DNA complex which previously has been characterized by X-ray crystallography, albeit with the use of closely related DNA duplexes. The X-ray structure revealed that the terminal guanidinium and amidinium groups of netropsin interact with the extreme ends of the palindromic AATT sequence of the receptor DNA. The parmbsc0 parameters of B-DNA and AMBER v9 parameters of netropsin generated a stable 6ns molecular dynamics (MD) trajectory for a 1:1 class I binding motif of this complex. Trajectory analysis for the salt and hydration effects on the binding of netropsin to the 8-mer DNA duplex revealed ...

International Nuclear Information System (INIS)

For a number of starless cores, self-absorbed molecular line and column density observations have implied the presence of large-amplitude oscillations. We examine the consequences of these oscillations on the evolution of the cores and the interpretation of their observations. We find that the pulsation energy helps support the cores and that the dissipation of this energy can lead toward instability and star formation. In this picture, the core lifetimes are limited by the pulsation-decay timescales, dominated by non-linear mode-mode coupling, and on the order of #approx =# few x 10"5-10"6 yr. Notably, this is similar to what is required to explain the relatively low rate of conversion of cores into stars. For cores with large-amplitude oscillations, dust continuum observations may appear asymmetric or irregular. As a consequence, some of the cores that would be classified as super-critical may be dynamically stable when oscillations are taken ...

Energy Technology Data Exchange (ETDEWEB)

An overview is provided of an evolving atomistic and kinetic model of semiconductor growth that unifies the main features of strain relaxation in low and high lattice misfit heteroepitaxy. The model reveals a kinetic pathway for dislocation formation during growth with little or no energy cost at low misfits, thus providing a way out of the longstanding dilemma of too high dislocation nucleation energies predicted by classical theories of the equilibrium behavior of a fixed number of particles at low misfits. The essential kinetic process underlying the model are identified on the basis of comparison of the predictions of kinetic Monte-Carlo simulations of growth with real-time or in-situ data obtained in such experiments as reflection high-energy electron diffraction (RHEED) and scanning probe microscopy (SPM). Relative significance of these atomistic kinetic processes is shown to naturally lead to strain relaxation via defect initiation at low misfits while maintaining smooth surface ...

Energy Technology Data Exchange (ETDEWEB)

A class II atomistic force field with Lennard-Jones 6-9 nonbond interactions is used to investigate equations of state (EOS) for important high explosive detonation products N{sub 2} and H{sub 2}O in the temperature range 700-2500 K and pressure range 0.1-10 GPa. A standard 6th order parameter-mixing scheme is then employed to study a 2:1 (molar) H{sub 2}O:N{sub 2} mixture, to investigate in particular the possibility of phase-separation under detonation conditions. The simulations demonstrate several important results, including: (1) the accuracy of computed EOS for both N{sub 2} and H{sub 2}O over the entire range of temperature and pressure considered; (2) accurate mixing-demixing phase boundary as compared to experimental data; and (3) the departure of mixing free energy from that predicted by ideal mixing law. The results provide comparison and guidance to state-of-the-art chemical kinetic models.

Energy Technology Data Exchange (ETDEWEB)

This thesis consists of five chapters, each of which is a self-contained unit. The first chapter overviews methods for electronic-structure calculations. Chapter 2 introduces a new method to generate a rapidly converging configuration expansion. The approach iteratively combines (1) a least-squares fitting of a configuration expansion to a many-body wave function with (2) a transfer-matrix method for projecting out the ground state. Results are shown to be equivalent to multiconfiguration Hartree-Fock. Results from test calculations are given for a simple finite difference model of the helium atom. In Chapter 3 the use of the finite-element method in electronic structure calculations is discussed. Chapters 4 and 5 discuss developments in Monte Carlo methods based on Hubbard-Stratonovich transformations. Chapter 4 introduces a canonical ensemble formulation of the method, which is more appropriate than the usual grand canonical formulation for electronic structure. Chapter 5 considers ...

Science.gov (United States)

Understanding the influence of interfacial structures on the nanoarchitecture mechanical properties is of particular importance for its mechanical applications. Due to a small size of constituting nanostructural units and a consequently high volume ratio of such interfacial regions, this question becomes crucial for the overall mechanical performance. Boron nitride bamboo-like nanotubes, called hereafter boron nitride nanobamboos (BNNBs), are composed of short BN nanotubular segments with specific interfaces at the bamboo-shaped joints. In this work, the mechanical properties of such structures are investigated by using direct in situ transmission electron microscopy tensile tests and molecular dynamics simulations. The mechanical properties and deformation behaviors are correlated with the interfacial structure under atomic resolution, and a geometry strengthening effect is clearly demonstrated. Due to the interlocked joint interfacial ...

Science.gov (United States)

Symplastic transport occurs between neighbouring plant cells through functionally and structurally dynamic channels called plasmodesmata (PD). Relatively little is known about the composition of PD or the mechanisms that facilitate molecular transport into neighbouring cells. While transmission electron microscopy (TEM) provides 2-dimensional information about the structural components of PD, 3-dimensional information is difficult to extract from ultrathin sections. This study has exploited high-resolution scanning electron microscopy (HRSEM) to reveal the 3-dimensional morphology of PD in the cell walls of algae, ferns and higher plants. Varied patterns of PD were observed in the walls, ranging from uniformly distributed individual PD to discrete clusters. Occasionally the thick walls of the giant alga Chara were fractured, revealing the surface morphology of PD within. External structures such as spokes, spirals and mesh were observed ...

Energy Technology Data Exchange (ETDEWEB)

The Pacific Northwest National Laboratory (PNNL) operates a number of research and development (R and D) facilities for the Department of Energy on the Hanford Site. According to DOE Order 5400.1, a Facility Effluent Monitoring Plan is required for each site, facility, or process that uses, generates, releases, or manages significant pollutants or hazardous materials. Three of the R and D facilities: the 325, 331, and 3720 Buildings, are considered major emission points for radionuclide air sampling and thus individual Facility Effluent Monitoring Plans (FEMPs) have been developed for them. Because no definition of ''significant'' is provided in DOE Order 5400.1 or the accompanying regulatory guide DOE/EH-0173T, this FEMP was developed to describe monitoring requirements in the DOE-owned, PNNL-operated facilities that do not have individual FEMPs. The remainder of the DOE-owned, PNNL-operated facilities are referred to as Balance-of-Plant (BOP) ...

Energy Technology Data Exchange (ETDEWEB)

Iron undergoes a polymorphic phase transformation from alpha phase (bcc) to the epsilon phase (hcp) when compressed to stresses exceeding 13 CPa. Bccause the epsilon phase is denser than the alpha phase, a single shock wave is unstable and breaks up into an elastic wave, a plastic wave, and a phase transition wave. Examination of this structured wave coupled with various phase transformation models has been used to indirectly examine the transition kinetics. Recently, multimillion atom simulations (molecular dynamics) have been used to examine the shock-induced transition in single crystal iron illustrating an orientation dependence of the transition stress, mechanisms, and kinetics. The objective of the current work was to perform plate impact experiments to examine the shock-response of polycrystalline and single crystal iron with nanosecond resolution for impact stresses spanning the {alpha} - {epsilon} transition. The current data reveal an ...

Energy Technology Data Exchange (ETDEWEB)

Biosorption of the heavy metal ion Cd{sup 2+} by protonated nonliving brown alga Sargassum fluitans biomass was accompanied by the release of hydrogen protons from the biomass. The uptake of cadmium and the release of proton matched each other throughout the biosorption process. The end-point titration methodology was used to maintain the constant pH 4.0 for developing the dynamic sorption rate. The sorption isotherm could be well represented by the Langmuir sorption model. A mass transfer model assuming the intraparticle diffusion in a one-dimensional thin plate as a controlling step was developed to describe the overall biosorption rate of cadmium ions in flat seaweed biomass particles. The overall biosorption mathematical model equations were solved numerically yielding the effective diffusion coefficient D{sub e} about 3.5 {times} 10{sup {minus}6} cm{sup 2}/s. This value matches that obtained for the desorption process and is approximately half of that of the ...

Energy Technology Data Exchange (ETDEWEB)

The phenomenology of wire chamber aging is discussed and fundamentals of proportional counters are presented. Free-radical polymerization and plasma polymerization are discussed. The chemistry of wire aging is reviewed. Similarities between wire chamber plasma (>1 atm dc-discharge) and low-pressure rf-discharge plasmas, which have been more widely studied, are suggested. Construction and use of a system to allow study of the plasma reactions occurring in wire chambers is reported. A proportional tube irradiated by an {sup 55}Fe source is used as a model wire chamber. Condensable species in the proportional tube effluent are concentrated in a cryotrap and analyzed by gas chromatography/mass spectrometry. Several different wire chamber gases (methane, argon/methane, ethane, argon/ethane, propane, argon/isobutane) are tested and their reaction products qualitatively identified. For all gases tested except those containing methane, use of hygroscopic filters to remove trace ...

Energy Technology Data Exchange (ETDEWEB)

A new organic-inorganic hybrid membrane has been prepared with exceptional performance in dewatering applications. The only precursor used in the sol-gel synthesis of the selective layer was organically linked 1,2-bis(triethoxysilyl)ethane (BTESE). The microporous structure of this layer enables selective molecular sieving of small molecules from larger ones. In the dehydration of n-butanol with 5% of water, the membrane shows a high separation factor of over 4000 and ultra-fast water transport at a rate of more than 20 kg m{sup -2} h{sup -1} at 150C. This can be related to the high adsorption capacity of the material and the sub-micron thickness of the selective layer. The selectivity has now remained constant over almost one and a half years under continuous process testing conditions. Apart from the hydrothermal stability, the membrane exhibits a high tolerance for acid contamination. A slow performance decline in flux ...

Energy Technology Data Exchange (ETDEWEB)

During this project we experimentally evaluated the below-ground biomass and carbon allocation and partitioning of four different fast- and slow-growing families of loblolly pine located in Scotland County, NC, in an effort to increase the long-term performance of the crop. The trees were subjected to optimal nutrition and control since planting in 1993. Destructive harvests in 1998 and 2000 were used for whole?plant biomass estimates and to identify possible family differences in carbon acquisition (photosynthesis) and water use efficiency. At regular intervals throughout each year we sampled tissues for carbohydrate analyses to assess differences in whole-tree carbon storage. Mini rhizotron observation tubes were installed to monitor root system production and turnover. Stable isotope analysis was used to examine possible functional differences in water and nutrient acquisition of root systems between the various families. A genetic ...

British Library Electronic Table of Contents (United Kingdom)

The importance of soil heterogeneity for methane emission from a wetland soil is assessed by in situ point measurements of depth-specific O2 and CH4 concentrations and simultaneous soil CH4 fluxes at contrasting water levels. Profile measurements, and associated assumptions in their interpretation, were validated in a controlled mesocosm drainage and saturation experiment applying planar O2 optodes and membrane inlet mass spectrometry. Results show that peat soil is heterogeneous containing dynamic macropore systems created by both macrofauna and flora, which facilitate preferential flow of water, O2 and CH4 and vary temporally with changes in the moisture regime. The O2 content above the water table after drainage varied horizontally from 0 to 100% air saturation within few mm. Oxic zones...

Energy Technology Data Exchange (ETDEWEB)

The integrity of the RPV head and reactor internals was assessed by means of fluid-structural analyses using a coupled method to evaluate the water hammer phenomenon arising from high burnup fuel failure under RIA conditions. The fluid viscosity effect on the water column burst as well as the complex three-dimensional flow paths caused by a core shroud and standpipes were considered in this study. The three analysis scenarios were designed to investigate the above mentioned influential factors separately. In the first scenario, a two-dimensional axisymmetric reactor vessel model without any reactor internals was modeled to assess the influence of the fluid dynamics in the NSC RIA regulatory evaluation. This model has an actual RPV geometry and can be simply separated from other influential factors in order to concentrate only on investigation of the fluid viscosity effect. In the second scenario, a two-dimensional ...

Energy Technology Data Exchange (ETDEWEB)

This study explores the effects of atmospheric CO2 enrichment and climate change on soil moisture (W{sub r} ) and biome-level water limitation (L{sub TA}), using a dynamic global vegetation and water balance model forced by five different scenarios of change in temperature, precipitation, radiation, and atmospheric CO2 concentration, all based on the same IS92a emission scenario. L{sub TA} is defined as an index that quantifies the degree to which transpiration and photosynthesis are co-limited by soil water shortage (high values indicate low water limitation). Soil moisture decreases in many regions by 2071-2100 compared to 1961-1990, though the regional pattern of change differs substantially among the scenarios due primarily to differences in GCM-specific precipitation changes. In terms of L{sub TA}, ecosystems in northern temperate latitudes are at greatest risk of increasing ...

Science.gov (United States)

The progress of laboratory studies on the removal of NO/sub x/ and SO/sub 2/ with zeolite molecular sieves is reported. The trademark of these zeolite molecular sieves is Zeolon. (LK)

UK PubMed Central (United Kingdom)

Functionalizing of single molecules on surfaces has manifested great potential for bottom-up construction of complex devices on a molecular scale. We discuss the growth mechanism for the initial layers...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Ejector refrigeration systems are usually designed to utilize low grade energy for driving the cycle. They also have low maintenance cost because they operate without a compressor. Mainly, the ejector performance directly affects the refrigerating performance. Therefore, an investigation on the characteristics and an efficient design of the ejector are important to improve ejector refrigeration systems. In this study, the computational fluid dynamics (CFD) code, FLUENT, is employed to predict the flow phenomena and performance of CPM and CMA steam ejectors. The ejector refrigeration system, using water as the working fluid, is operated at 120-140 C boiler temperature and 5-15 C evaporator temperature. CFD can predict ejector performance very well and reveal the effect of operating conditions on an effective area that is directly related to its performance. Besides, it is found that the flow pattern does not depend much on the suction zone ...

Energy Technology Data Exchange (ETDEWEB)

The success in developing of the oil industry operating in offshore-onshore terminals, connected by pipelines with the facilities of the coastal zone, can be attributed partially to the beach morpho dynamic monitoring. This study represents a solution to the concerns of the technical operations in coastal zones because it minimizes the impact of the petroleum production and it assures the environmental protection associated to the risks of the pipelines breaking. This impact type results mainly of the vertical and horizontal displacements of the beach, from the coastal dunes to the shore face. The mobility of the profile is associated to the magnitude of the sedimentary processes, which reproduce naturally or not, in scale of time that can vary among few days, years or decades. For the monitoring and interpretation of the beach profile mobility the following methods are recommended: calculation of the closure depth with base in the wave data; bathymetric survey ...

UK PubMed Central (United Kingdom)

Woolfolk, C. A. (University of Washington, Seattle). Reduction of inorganic compounds with molecular hydrogen by Micrococcus lactilyticus. II. Stoichiometry with inorganic...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

With the improvements accomplished during the past 15 years in detection techniques and instrumentation and with the opening of space exploration, molecular spectroscopy has become a very efficient way to probe planetary atmospheres.

Science.gov (United States)

... 041889 Molecular Cloning and Characterization of Three Novel Lysozyme-Like Genes, Predominantly Expressed in the Male Reproducti...

Science.gov (United States)

Page 1. Dynamic Virtual LANs for Adaptive Network Security ... Dynamic Virtual LANs for adaptive network security D. Merani, A. Berni, M. Leonard ...

International Nuclear Information System (INIS)

A real-time two-dimensional void fraction distribution measurement of gas-liquid two-phase flow was carried out by real-time neutron radiography and real-time image processing. The JRR-3M real-time thermal neutron radiography system and a Musashi dynamic image processing system were used. Image processing methods to calculate two-dimensional and cross-sectional void fraction distributions were proposed. The void fraction distribution was calculated by non-linear processing of the neutron radiography image and displayed by pseudo-color in real-time. A simple gas-liquid two-phase flow induced by injecting gas through needles at the bottom of water pool in a rectangular vessel was tested. (orig.).

British Library Electronic Table of Contents (United Kingdom)

Abstract Ecosystem processes function at many scales, and capturing these processes is a challenge for ecosystem models. Nevertheless, it is a necessary step for considering many management issues pertaining to shelf and coastal systems. In this paper, we explore one method of modeling large areas with a focus at a range of scales. We develop an ecosystem model that can be used for strategic management decision support by modeling the waters off southeastern Australia using a polygon telescoping approach, which incorporates fine-scale detail at the coastal zone, increasing in scale to a very coarse scale in the offshore areas. This telescoping technique is a useful tool for incorporating a wide range of habitats at different scales into a single model.

Energy Technology Data Exchange (ETDEWEB)

The energy available from tidal currents is substantial and considerable work has been conducted into determining the size of the resource and what the large-scale consequences of extraction might be. This paper describes the work conducted to establish a laboratory-scale model, by using the commercial computational fluid dynamics (CFD) code FLUENT trademark, in order to predict local-flow consequences resulting from the extraction of energy in two and three dimensions from within the water column in a tidal flow. As might be expected, a wake is formed but there is considerable localized flow acceleration around and, most especially, under an extraction zone. The wake behind the device is shown to be associated with a drop in the free surface which, in turn, is associated with the decline in the wake itself. (author)

British Library Electronic Table of Contents (United Kingdom)

In this paper, the spatial-temporal dynamics of soil moisture content was investigated in an evergreen broad-leaved forest and a tea tree plantation in Ailao Mountains, which was dominated by Fagaceae (Castanopsis wattii and Lithocarpus xylocarpus). Soil moisture content was studied between January 2005 and December 2006 at different depths (from 0-150 cm) with a neutron probe. The results showed that mean soil moisture content in the evergreen broad-leaved forest was usually higher than in the tea tree plantation in the dry season, whereas it was lower than the tea tree plantation in the rainy season. In addition, mean soil moisture content was depth dependent, and in the 10-50 cm layer the spatial variability was due to the active root zone within this depth area in two types of land use...

British Library Electronic Table of Contents (United Kingdom)

The dynamics of planktonic cyanobacteria in eutrophicated freshwaters play an important role in formation of annual summer blooms, yet overwintering mechanisms of these water bloom forming cyanobacteria remain unknown. The responses to darkness and low temperature of three strains (unicellular Microcystis aeruginosa FACHB-905, colonial M.?aeruginosa FACHB-938, and a green alga Scenedesmus quadricauda FACHB-45) were investigated in the present study. After a 30-day incubation under darkness and low temperature, cell morphology, cell numbers, chlorophyll a, photosynthetic activity (ETRmax and I k), and malodialdehyde (MDA) content exhibited significant changes in Scenedesmus. In contrast, Microcystis aeruginosa cells did not change markedly in morphology, chlorophyll a, photosynthetic activi...

British Library Electronic Table of Contents (United Kingdom)

The residing fracture system and the prevailing in situ stresses have a significant impact on fluid flow and heat transfer in crystalline rocks. The long term response of fracture systems to changes in effective stresses, in particular the long term geo-mechanical effects of thermal stresses on reservoir characteristics is of particular interest to the geothermal industry.In this paper, a geothermal reservoir model is presented, in which a thermo-poroelastic finite element module is coupled to a fracture geomechanical module. This describes fracture closure as a function of effective stress and the changes in parameters, such as effective permeability, porosity and discrete fracture apertures. The novelty of this approach lies in its dynamic treatment of the characteristic properties of in...

DEFF Research Database (Denmark)

Udgivelsesdato: 2008

KoreaScience (Korea)

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Science.gov (United States)

This report contains the study on the dynamic characteristics of Wolsung fuel rod and on the dynamic balancing of rotating machinery to evaluate the performance of nuclear reactor components. The study on the dynamic characteristics of Wolsung fuel rod wa...

Energy Technology Data Exchange (ETDEWEB)

The three-dimensional (3-D), multiphase, computational fluid dynamic (CFD) code FLUENT is used to simulated two-phase flow behaviour in a CANDU header manifold under low (natural circulation) flow conditions. This behaviour was previously inferred from experimental data. The CFD simulations reported here are being used to support these inferences and to obtain a better understanding of phase distribution in the header manifold. The simulations seem to show that the vapor-water mixture models in the FLUENT code do not capture properly phase separation in the header and proper phase branching at the header-feeder connections that have been observed in experiments at low flows. The simulations using discrete-phase model in FLUENT, which tracks the pathlines of the individual vapor bubbles in the water continuum phase, show interesting, complicated and, in some cases, unexpected bubble trajectories from the point of injection ...

CERN Document Server

This work investigates the impingement of a liquid microdroplet onto a glass substrate at different temperatures. A finite-element model is applied to simulate the transient fluid dynamics and heat transfer during the process. Results for impingement under both isothermal and non-isothermal conditions are presented for four liquids: isopropanol, water, dielectric fluid (FC-72) and eutectic tin-lead solder (63Sn-37Pb). The objective of the work is to select liquids for a combined numerical and experimental study involving a high resolution, laser-based interfacial temperature measurement to measure interfacial heat transfer during microdroplet deposition. Applications include spray cooling, micro-manufacturing and coating processes, and electronics packaging. The initial droplet diameter and impact velocity are 80 {\\mu}m and 5 m/s, respectively. For isothermal impact, our simulations with water and isopropanol show very ...

Energy Technology Data Exchange (ETDEWEB)

The /sup 252/Cf-source-driven neutron noise analysis method has been tested in a wide variety of experiments that have indicated the broad range of applicability of the method. The neutron multiplication factor k/sub eff/ has been satisfactorily detemined for a variety of materials including uranium metal, light water reactor fuel pins, fissile solutions, fuel plates in water, and interacting cylinders. For a uranyl nitrate solution tank which is typical of a fuel processing or reprocessing plant, the k/sub eff/ values were satisfactorily determined for values between 0.92 and 0.5 using a simple point kinetics interpretation of the experimental data. The short measurement times, in several cases as low as 1 min, have shown that the development of this method can lead to a practical subcriticality monitor for many in-plant applications. The further development of the method will require experiments oriented toward particular applications ...

KoreaScience (Korea)

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KoreaScience (Korea)

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KoreaScience (Korea)

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Science.gov (United States)

Not Available

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Science.gov (United States)

... PHYSICS ATOMIC AND MOLECULAR PHYSICS AND SPECTROSCOPY NUCLEAR PHYSICS & ELEMENTARY PARTICLE PHYSICS. ...

Energy Technology Data Exchange (ETDEWEB)

Organic materials released from energy-related activities could affect human health and the environment. To better assess possible impacts, we developed a model to predict the fate of spills or discharges of pollutants into flowing or static bodies of fresh water. A computer code, Aquatic Pathways Model (APM), was written to implement the model. The computer programs use compartmental analysis to simulate aquatic ecosystems. The APM estimates the concentrations of chemicals in fish tissue, water and sediment, and is therefore useful for assessing exposure to humans through aquatic pathways. The APM will consider any aquatic pathway for which the user has transport data. Additionally, APM will estimate transport rates from physical and chemical properties of chemicals between several key compartments. The major pathways considered are biodegradation, fish and sediment uptake, photolysis, and evaporation. The model has been implemented with ...

Energy Technology Data Exchange (ETDEWEB)

The two tank (125,000kl each) foundations under construction are as large as 85m in diameter, and the north-side tank is to be placed over a sharper slope. The tanks are greatly different in their height from the rockbed since they are to be placed at the same level. For reduction in construction cost and time, a pile foundation design is chosen as the basic concept for foundation construction. After an overall evaluation of stability upon exposure to seismic torsion and of the deformation characteristics of piles and concrete slabs, a total pile foundation design with rock debris replaced with crushed rock is determined to be the design to be adopted. Since the piles to be driven in are greatly different in length, error in the pile supporting force will be too grave under the conventional pile landing control system. Therefore, a high-accuracy pile landing control system is employed, established after a rapid load test in addition to the dynamic load test for the ...

International Nuclear Information System (INIS)

The search for alternative energy supplies continues since the oil crisis of 1973. One energy vector is dihydrogen, H_2. Of the group VI hydrides, water has been the focus of most studies in harnessing solar energy and generating H_2. Two basic photochemical strategies have been employed: molecular photocatalytic systems, and semiconductor based photocatalytic systems. The results have not met with the euphoric expectations of the mid-1970's because of the difficulties encountered in H_2O splitting (E"0 S"2 "-/S = + 0.51 eV, NHE) is another vehicle tapped as a potential source of H_2. Heterogeneous photocatalysis utilizing semiconductor particulates and sunlight as the photon source has been successful with interesting quantum efficiencies. To this end, novel photocatalytic devices have been developed; one of these uses two coupled semiconductors to achieve vectorial displacement of the photogenerated reducing and oxidizing equivalents. An ...

Energy Technology Data Exchange (ETDEWEB)

A versatile, high brightness, volume type, low power RF source, capable of producing positive ion beams with intensities as high as 1 mA from gaseous feed materials and microamperes of negative ion beams has been characterized. The source can also be operated as a plasma sputter negative ion source to generate up to 1 mA of a selected species. The performance of the source in the positive and negative volume modes of operation can be greatly enhanced by addition of a removable, water cooled filament assembly in place of the negative sputter probe. For examine, the material utilization efficiencies of gaseous feed species can be more than doubled, total current intensities increased up to 40%, molecular dissociation fractions increased by 20% and minimum operating pressures reduced by a factor of four when operated in the volume mode. These added electrons also favorably effect, as a consequence of lower pressures, the emittance apparently ...

CERN Document Server

We report on the detection of SiO and water masers toward a newly found bipolar nebula, IRAS 19312+1950. This object exhibits extreme red IRAS color log (F25/F12)=0.5 and log (F60/F25)=0.7 and a nebulosity having a size of about 30" extended to the South-West in the 2MASS near-infrared image. Toward this object, we have detected emission from the H2O 6(1,6)-5(2,3) transition, the SiO J=1-0, v=1 and 2, and J=2-1, v=1 transitions, and the SO 2(2)--1(1) and H13CN J=1-0 transitions. The thermal lines of SO and H13CN are shifted by about 12 km/s in radial velocity with respect to the maser lines, indicating that thermal emission comes from the background molecular cloud. However, the SiO J=2-1, v=2 spectrum shows another component of SiO emission separated by 26 km/s from the main component, that might be formed in a rotating or expanding shell.

Environmental Research Database

ObjectivesThe specific objectives of the research are to: 1. Determine the concentrations of N2O, NO and NO2 in tropical coastal waters in relation to nutrients and salinities. 2. Determine, with excess nitrate present, the potential for nitrate reduction and denitrification in sediments along tropical estuaries, and whether NO, NO2, N2O, N2 or NH4+ are significant products. 3. Establish the balance between denitrification, nitrate ammonification and anammox in tropical estuarine sediments, relative to [continued...]DescriptionThe coastal zone is extremely important in the biogeochemical processes which control the natural cycle of elements of the Earth. In particular, the coastal zone contributes significantly to the nitrogen cycle, removing nitrogen washed in from the land by rivers and so reducing its fertilizing impact on the coastal seas. However, these removal processes, driven by microorganisms, also contribute to the formation of nitrogen gases, some of ...

Energy Technology Data Exchange (ETDEWEB)

The interfacial area transport equation dynamically models the two-phase flow regime transitions and predicts continuous change of the interfacial area concentration along the flow field. Hence, when employed in the numerical thermal-hydraulic system analysis codes, it eliminates artificial bifurcations stemming from the use of the static flow regime transition criteria. Accounting for the substantial differences in the transport phenomena of various sizes of bubbles, the two-group interfacial area transport equations have been developed. The group 1 equation describes the transport of small-dispersed bubbles that are either distorted or spherical in shapes, and the group 2 equation describes the transport of large cap, slug or churn-turbulent bubbles. The source and sink terms in the right-hand-side of the transport equations have been established by mechanistically modeling the creation and destruction of bubbles due to major bubble interaction mechanisms. In the ...

Energy Technology Data Exchange (ETDEWEB)

Real time neutron radiography has been used to study the dynamic behavior of two phase flow and measure the time averaged vapor fraction in a heated metal tube containing boiling steam water operating at up to 15 bar pressure. The neutron radiographic technique is non-intrusive and requires no special transparent window region. This is the first time this technique has been used in an electrically heated pressurized flow loop. This unique experimental method offers the opportunity to observe and record on videotape, flow patterns and transient behavior of two phase flow inside opaque containers without disturbing the environment. In this study the test sections consisted of stainless steel tubes with a 1.27 cm outer diameter and wall thicknesses of 0.084 cm and 0.124 cm. The experiments were carried out at the Pennsylvania State University 1 megawatt TRIGA reactor facility utilizing a Precise Optics neutron radiography camera. The inlet ...

International Nuclear Information System (INIS)

Real time neutron radiography has been used to study the dynamic behavior of two phase flow and measure the time averaged vapor fraction in a heated metal tube containing boiling steam water operating at up to 15 bar pressure. The neutron radiographic technique is non-intrusive and requires no special transparent window region. This is the first time this technique has been used in an electrically heated pressurized flow loop. This unique experimental method offers the opportunity to observe and record on videotape, flow patterns and transient behavior of two phase flow inside opaque containers without disturbing the environment. In this study the test sections consisted of stainless steel tubes with a 1.27 cm outer diameter and wall thicknesses of 0.084 cm and 0.124 cm. The experiments were carried out at the Pennsylvania State University 1 megawatt TRIGA reactor facility utilizing a Precise Optics neutron radiography camera. The inlet ...

Energy Technology Data Exchange (ETDEWEB)

Several steam generator tube rupture accidents have occurred at plants in the past. In this paper the Computational Multi-Fluid Dynamics (CMFD) investigation of the horizontal steam generator thermal-hydraulics during the tube rupture accident is performed. A guillotine of a steam generator U-tube is assumed with choked flow from the primary to the secondary side of the steam generator. We have computed water and steam velocity fields, steam volume fraction distribution on the steam generator secondary (shell) side, as well as the swell level increase. The simulation results are a support to the safety analyses of the steam generator tube rupture accident. Numerical simulation is performed with the multidimensional multi-fluid modelling approach. The two-phase flow around steam generator tubes in the bundle is modelled by the porous media approach. Interfacial mass, momentum and energy transfer are modelled with the closure laws. The governing ...

Science.gov (United States)

Programs & Services Technical Resources Land Use Soils Water Snow Survey & Water Supply Water Management Water Quality Watersheds Wetlands Air Plants & Animals Energy Climate...

Energy Technology Data Exchange (ETDEWEB)

This study reports on the physical-chemical behaviour of swelling di-octahedral clays (smectites) and their interaction with aqueous solutions and bacteria (Shewanella putrefaciens). Experimental results are presented for compacted clays, hydrated under confined volume conditions, using a new type of reaction-cell (the 'wet-cell' of Warr and Hoffman, 2004) that was designed for in situ X-ray diffraction (XRD) measurement. For comparison, dispersed clay systems were studied using standard batch solutions subjected to varying degrees of agitation. The combination of time-dependent in situ XRD measurements with gravimetric measurements and calculated diffraction patterns using the CALCMIX software (Plancon and Drits, 1999) allowed to successful quantification of the dynamics of water uptake and storage. This analytical procedure combined with published water vapour adsorption data enabled determination of the ...

Energy Technology Data Exchange (ETDEWEB)

Full text of publication follows:In order to practice a design-by-analysis of thermohydraulics design of BWR fuel rod bundles, the subchannel analysis would play a major role. There, the immediate concern is improvement in its predictive capability of CHF due in particular to the film dryout (boiling transition phenomena: BT) on the fuel rod surface. Constitutive equations in the subchannel analysis formulation are responsible for the quality of calculated results. The constitutive equations are a result of integration of the local and instantaneous description of two-phase flows over the subchannel control volume. In general, they are expressed in terms of subchannel-control-volume- as well as area-averaged two-phase flow state variables. In principle the information on local and instantaneous physical phenomena taking place inside subchannels must be counted for in the algebraic form of the equations on the basis of a more mechanistic modeling approach. They should include also ...

International Nuclear Information System (INIS)

This thesis was carried out at Forsmark Nuclear Power Plant. The power plant in Forsmark consists of three boiling water reactors (BWR) which produce about 17% of Swedish electricity. In a BWR the nuclear reactions are used to boil water inside the reactor vessel. The water works both as a coolant and as a moderator and the resulting steam is used directly to run the turbines. A problem when running a BWR at low flow conditions is the density wave oscillations that might occur to the water flow inside the fuel assemblies. These oscillations arise due to the connection between power and flow rate in a heated channel with two-phase flow. In order to improve the stability performance of the channel an orifice plate is placed at the inlet of each fuel assembly. Today these orifice plates have sharp edges and a constant resistance coefficient. Experimental work has been done with progressive orifices, the ...

Science.gov (United States)

This study addresses the modeling of transdermal diffusion of drugs, to better understand the permeation of molecules through the skin, and especially the stratum corneum, which forms the main permeation barrier of the skin. In transdermal delivery of systemic drugs, the drugs diffuse from a patch placed on the skin through the epidermis to the underlying blood vessels. The epidermis is the outermost layer of the skin and can be further divided into the stratum corneum (SC) and the viable epidermis layers. The SC consists of keratinous cells (corneocytes) embedded in the lipid multi-bilayers of the intercellular space. It is widely accepted that the barrier properties of the skin mostly arises from the ordered structure of the lipid bilayers. The diffusion path, at least for lipophilic molecules, seems to be mainly through the lipid bilayers. Despite the advantages of transdermal drug delivery compared to other drug delivery routes such as oral dosing and injections, the low ...

Energy Technology Data Exchange (ETDEWEB)

We have developed a kinetic Monte Carlo (kMC) simulator that links atomic migration and binding energies determined primarily from first principles calculations to macroscopic phenomena and laboratory time scales. Input for the kMC simulation is obtained from a combination of ab initio planewave pseudopotential calculations, molecular dynamics simulations, and experimental data. The simulator is validated against an extensive series of experimental studies of the diffusion of B spikes in self-implanted Si. The implant energy, dose, and dose rate, as well as the detailed thermal history of the sample, are included. Good agreement is obtained with the experimental data for temperatures between 750 and 950 C and times from 15 to 255 s. At 1050o C we predict too little diffusion after 105 s compared to experiment: apparently, some mechanism which is not adequately represented by our model becomes important at this temperature. Below 1050o C, the ...

Energy Technology Data Exchange (ETDEWEB)

Mechanisms and associated energetics for adatom diffusion on the (100) and (110) surfaces of Ni, Cu, Rh, Pd, and Ag are investigated. Self-diffusion was studied on (100) and (I 10) surfaces of Ni, Cu, Pd and Ag using corrected effective medium method (CEM) and approximation to CEM used for molecular dynamics and Monte Carlo studies (MD/MC-CEM). Self-diffusion on Pd(100), Ag(100), Ni(110), Cu(110), Pd(110), and Ag(110) is accomplished by classical diffusion: the adatom hops from its equilibrium adsorption site over an intervening bridge site to an adjacent equilibrium site. Self-diffusion on Ni(100) and Cu(100) proceeds by atomic-exchange diffusion: the adatom on the surface displaces an atom in the first surface layer. Aside from explicit inclusion of the kinetic-exchange-correlation energy, it is critical to include enough movable atoms in the calculation to insure correct energetics. Distortions induced by these diffusion mechanisms, ...

Science.gov (United States)

We report on the effect of potato maltodextrins with variable dextrose equivalent (Paselli SA-2, SA-6 and SA-10) on the surface behavior at the air-water interface of the mixture: legumin+small-molecule surfactant. Distinct in nature small-molecule surfactants (model: sodium salt of capric acid, Na-caprate; and commercially important: a citric acid ester of monoglyceride, CITREM) have been under our consideration. The role of the structure of both of the maltodextrins and the small-molecule surfactants in the effect studied has been elucidated by measurements in a bulk aqueous medium of the enthalpy of their interaction from mixing calorimetry, value of weight average molecular weight of the maltodextrins and the thermodynamics of the pair maltodextrin-solvent and maltodextrin-protein interactions from laser static light scattering. The combined data of mixing calorimetry and light scattering suggest some complex formation between the ...

Energy Technology Data Exchange (ETDEWEB)

Progress reports are presented for the following two areas: catalytic cracking studies with water-wet silica-alumina catalysts; and Fischer-Tropsch reactor studies where similarities and differences between fixed bed and slurry type reactors are investigated and further experiments conducted to measure mass transfer coefficients and reaction kinetics which are to be used in a model slurry reactor. The following are some of the conclusions. (1) The premise that the presence of liquid water might increase catalytic cracking activity was found to be invalid. It was demonstrated that cracking can occur at previously unobserved low temperatures (though at low conversions) and that an anomaly exists in that one of the catalysts tested shows an entirely different cracking behavior and probably follows a different cracking mechanism. (2) the diameter of a fixed-bed Fischer-Tropsch reactor critically affected the resistance of the reactor to plugging ...

Energy Technology Data Exchange (ETDEWEB)

No information on steam/water two-phase flow behavior in large diameter pipes (10 inch or larger) at elevated pressures is available in the open literature. However, there are many applications, in the nuclear, chemical and petroleum industries among others where two-phase flows in large diameter pipes at elevated pressures and temperatures are encountered routinely or under accident scenarios. Experimental data on steam-water two-phase flow in a large diameter (20 inch, 50.08 cm I.D.) vertical pipe at elevated pressures and temperatures (2.8 MPa/230 C--6.4 MPa/280 C) have been obtained. Void fraction, two-phase mass flux, phase and velocity distributions as well as pressure drop along the test pipe have been measured using the Ontario Hydro Technologies (OHT) Pump Test Loop. The void fraction distributions were found to be axially symmetric and nearly flat over a wide range of two-phase flow conditions. The two-phase flow regime could be ...

International Nuclear Information System (INIS)

Immobilization of a model liquid organic pollutant, i.e. the 2-chloroaniline (2-CA), into a cement matrix using organoclays as pre-sorbent agents was investigated. Five cement-clay pastes were prepared with different nominal water-to-cement ratios (w/c=0.40, 0.25 and 0.15 wt/wt) and various amounts of waste (waste-to-cement o/c=0.20, 0.60 and 1.00 wt/wt); for comparison, a neat cement paste was also prepared. Dynamic leach tests were performed on solidified monoliths in order to assess the successful immobilization of the 2-CA. In monoliths at constant w/c ratio (0.40) the total amount of pollutant released increases with its initial content, and ranges from 15 to 35% with respect to it. By lowering w/c from 0.40 to 0.15 at constant o/c, the performances improved (<25% released). The microstructure of the hardened cement-clay pastes was characterized by quantitative X-ray diffraction (QXRD) and electronic microscopy (SEM-EDS) techniques; ...

UK PubMed Central (United Kingdom)

Earlier we have shown that exogenous expression of HIPPI, a molecular partner of Huntingtin interacting protein HIP-1, induces apoptosis and increases expression of caspases-1, -8 and -10 in HeLa and...Full Text Available

UK PubMed Central (United Kingdom)

AbstractStudies performed to identify early events of ovarian cancer and to establish molecular markers to support early detection and development of chemopreventive regimens have been...Full Text Available

UK PubMed Central (United Kingdom)

This article describes the molecular cloning and expression of a hemolysin gene from a serotype 1 strain of Actinobacillus pleuropneumoniae. The hemolysin was a thermolabile protein with an apparent...Full Text Available

UK PubMed Central (United Kingdom)

A detailed molecular characterization of nuclear mRNA export will require an in vitro system, allowing a biochemical reconstitution of transport. To this end, an mRNA export assay has...Full Text Available

Science.gov (United States)

MWo = average molecular weight of fuel est. 105 g/mole for gasoline est. 165 g/mole for Jet fuel est. 230 g/mole for diesel fuel MWX = molecular weight of selected chemical...

UK PubMed Central (United Kingdom)

The molecular diversity of the gene encoding the outer membrane protein A (OmpA) of Haemophilus parasuis has been unclear. In this study, the structural characteristics, sequence types,...Full Text Available

UK PubMed Central (United Kingdom)

Alpha-hemoglobin-stabilizing protein (AHSP) is an erythroid-specific protein that acts as a molecular chaperone for the free α chains of hemoglobin. Evidence strongly suggests...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Despite their simplicity, diatomic molecules of first row elements can exhibit very complex phase diagrams. Determination of the phase diagrams can be further complicated by the existence of hysteretic molecular phases that can be observed over large regions of coexistence. Here we present evidence for a previously unreported molecular phase of nitrogen existing at room temperature at least over the range of 33-74 GPa. Our measurements show that sample history may have a significant impact on the thermodynamic states accessed by the molecular nitrogen solid and, by extension, also on the established phase diagram.

International Nuclear Information System (INIS)

... e Biologia Molecular (SBBq), Sao Paulo, SP (Brazil) 217 p. APPLIED LIFE

Science.gov (United States)

for? Learn the Issues Science & Technology Laws & Regulations About EPA Contact Us Water: Water Quality Criteria You are here: Water Science & Technology Surface Water Standards &...

Energy Technology Data Exchange (ETDEWEB)

The two-phase flow program is directed at understanding the hydrodynamics of two-phase flows. The two-phase flow regime is characterized by a series of flow patterns that are designated as bubble, slug, churn, and annular flow. Churn flow has received very little scientific attention. This lack of attention cannot be justified because calculations predict that the churn flow pattern will exist over a substantial portion of the two-phase flow zone in producing geothermal wells. The University of Houston is experimentally investigating the dynamics of churn flow and is measuring the holdup over the full range of flow space for which churn flow exists. These experiments are being conducted in an air/water vertical two-phase flow loop. Brown University has constructed and is operating a unique two-phase flow research facility specifically designed to address flow problems of relevance to the geothermal industry. An important feature of the facility ...

Energy Technology Data Exchange (ETDEWEB)

Precondition for the low-NO operation of gas turbine burners is the generation of as homogeneous as possible a gaseous fuel/air mixture. Such a burner behavior can be achieved by selective adaptation of the flow and injection. A computing model is introduced that calculates the dynamically balanced GASs/droplet flow through numerical solution of the transport equations in a curved orthogonal coordinate system. The feedback reaction of the fuel droplets to the gas phase is considered by source terms and/or sink terms. Test computations were carried out for comparison with analytical solutions from the flow mechanics and validated by comparison with measurement results. Droplet motion and evaporation were checked by means of published experimental results on single droplets. For the validation of the developed computing technique, model tests were carried out with water in place of fuel. It is pointed out that the choice of different parameters ...

CERN Document Server

Terrestrial planets form in a series of dynamical steps from the solid component of circumstellar disks. First, km-sized planetesimals form likely via a combination of sticky collisions, turbulent concentration of solids, and gravitational collapse from micron-sized dust grains in the thin disk midplane. Second, planetesimals coalesce to form Moon- to Mars-sized protoplanets, also called "planetary embryos". Finally, full-sized terrestrial planets accrete from protoplanets and planetesimals. This final stage of accretion lasts about 10-100 Myr and is strongly affected by gravitational perturbations from any gas giant planets, which are constrained to form more quickly, during the 1-10 Myr lifetime of the gaseous component of the disk. It is during this final stage that the bulk compositions and volatile (e.g., water) contents of terrestrial planets are set, depending on their feeding zones and the amount of radial mixing that occurs. The main ...

International Nuclear Information System (INIS)

This paper gives an overview of a multiyear joint research program being conducted at the University of New Mexico (UNM) with support from Sandia National Laboratories and GA Technologies. This research focuses on heat removal and fluid dynamics in flow regimes characterized by low pressure and low Reynolds number. The program was motivated by a desire to characterize and analyze cooling in a broad class of TRIGA-type reactors under: (a) typical operating conditions, (b) anticipated, new operating regimes, and (c) postulated accident conditions. It has also provided experimental verification of analytical tools used in design analysis. The paper includes descriptions of the UNM thermal-hydraulics test facility and the experimental test sections. During the first two years experiments were conducted using single, electrically heated rod in water and air annuli. This configuration provides an observable and serviceable simulation of a fuel rod ...

Energy Technology Data Exchange (ETDEWEB)

Excessive erosion of the labyrinth seal of a 100 MW geothermal turbine has been investigated. This study used computational fluid dynamics (CFD) and aims to identify one cause of erosion and a possible solution for substantially reducing it. The predictions were based upon a numerical calculation using a CFD model of the labyrinth seal with a water/steam flow containing hard solid particles and solved with a commercial CFD code: Fluent V5.0. The results confirmed the existence of flow conditions that play a major role in the rotor labyrinth seal erosion. Afterwards, the flow path was simulated with changes of rotor labyrinth seal geometry, which are indeed feasible of being implemented. The results confirmed that it is possible to reduce the erosion process by approximately 80% by incorporating a steam flow deflector in the fourth stage diaphragm, which changes the steam flow direction in the inlet zone to the rotor labyrinth seal channel, ...