On the Rigid-Lid Approximation for Two Shallow Layers of Immiscible Fluids with Small Density Contrast

NASA Astrophysics Data System (ADS)

Duchêne, Vincent

2014-08-01

The rigid-lid approximation is a commonly used simplification in the study of density-stratified fluids in oceanography. Roughly speaking, one assumes that the displacements of the surface are negligible compared with interface displacements. In this paper, we offer a rigorous justification of this approximation in the case of two shallow layers of immiscible fluids with constant and quasi-equal mass density. More precisely, we control the difference between the solutions of the Cauchy problem predicted by the shallow-water (Saint-Venant) system in the rigid-lid and free-surface configuration. We show that in the limit of a small density contrast, the flow may be accurately described as the superposition of a baroclinic (or slow) mode, which is well predicted by the rigid-lid approximation, and a barotropic (or fast) mode, whose initial smallness persists for large time. We also describe explicitly the first-order behavior of the deformation of the surface and discuss the case of a nonsmall initial barotropic mode.

Particle Size Effects on CL-20 Initiation and Detonation

NASA Astrophysics Data System (ADS)

Valancius, Cole; Bainbridge, Joe; Love, Cody; Richardson, Duane

2017-06-01

Particle size or specific surface area effects on explosives has been of interest to the explosives community for both application and modeling of initiation and detonation. Different particles sizes of CL-20 were used in detonator experiments to determine the effects of particle size on initiation, run-up to steady state detonation, and steady state detonation. Historical tests have demonstrated a direct relationship between particle size and initiation. However, historical tests inadvertently employed density gradients, making it difficult to discern the effects of particle size from the effects of density. Density gradients were removed from these tests using a larger diameter, shorter charge column, allowing for similar loading across different particle sizes. Without the density gradient, the effects of particle size on initiation and detonation are easier to determine. The results of which contrast with historical results, showing particle size does not directly affect initiation threshold.

Planetary Accretion in the Inner Solar System: Dependence on Nebula Surface Density Profile and Giant Planet Eccentricities

NASA Technical Reports Server (NTRS)

Chambers, J. E.; Cassen, P.

2002-01-01

We present 32 N-body simulations of planetary accretion in the inner Solar System, examining the effect of nebula surface density profile and initial eccentricities of Jupiter and Saturn on the compositions and orbits of the inner planets. Additional information is contained in the original extended abstract.

Determination of the surface charge density and temperature dependence of purple membrane by electric force microscopy.

PubMed

Du, Huiwen; Li, Denghua; Wang, Yibing; Wang, Chenxuan; Zhang, Dongdong; Yang, Yan-lian; Wang, Chen

2013-08-29

We report here the measurement of the temperature-dependent surface charge density of purple membrane (PM) by using electrostatic force microscopy (EFM). The surface charge density was measured to be 3.4 × 10(5) e/cm(2) at room temperature and reaches the minimum at around 52 °C. The initial decrease of the surface charge density could be attributed to the reduced dipole alignment because of the thermally induced protein mobility in PM. The increase of charge density at higher temperature could be ascribed to the weakened interaction between proteins and the lipids, which leads to the exposure of the charged amino acids. This work could be a benefit to the direct assessment of the structural stability and electric properties of biological membranes at the nanoscale.

Dynamical evolution of dense star clusters in galactic nuclei

NASA Astrophysics Data System (ADS)

Haas, Jaroslav; Šubr, Ladislav

2014-05-01

By means of direct numerical N-body modeling, we investigate the orbital evolution of an initially thin, central mass dominated stellar disk. We include the perturbative gravitational influence of an extended spherically symmetric star cluster and the mutual gravitational interaction of the stars within the disk. Our results show that the two-body relaxation of the disk leads to significant changes of its radial density profile. In particular, the disk naturally evolves, for a variety of initial configurations, a similar broken power-law surface density profile. Hence, it appears that the single power-law surface density profile ∝R -2 suggested by various authors to describe the young stellar disk observed in the Sgr A* region does not match theoretical expectations.

Surface States and Effective Surface Area on Photoluminescent P-Type Porous Silicon

NASA Technical Reports Server (NTRS)

Weisz, S. Z.; Porras, A. Ramirez; Resto, O.; Goldstein, Y.; Many, A.; Savir, E.

1997-01-01

The present study is motivated by the possibility of utilizing porous silicon for spectral sensors. Pulse measurements on the porous-Si/electrolyte system are employed to determine the surface effective area and the surface-state density at various stages of the anodization process used to produce the porous material. Such measurements were combined with studies of the photoluminescence spectra. These spectra were found to shift progressively to the blue as a function of anodization time. The luminescence intensity increases initially with anodization time, reaches a maximum and then decreases with further anodization. The surface state density, on the other hand, increases with anodization time from an initial value of about 2 x 10(exp 12)/sq cm surface to about 1013 sq cm for the anodized surface. This value is attained already after -2 min anodization and upon further anodization remains fairly constant. In parallel, the effective surface area increases by a factor of 10-30. This behavior is markedly different from the one observed previously for n-type porous Si.

Eddy-driven stratification initiates North Atlantic spring phytoplankton blooms.

PubMed

Mahadevan, Amala; D'Asaro, Eric; Lee, Craig; Perry, Mary Jane

2012-07-06

Springtime phytoplankton blooms photosynthetically fix carbon and export it from the surface ocean at globally important rates. These blooms are triggered by increased light exposure of the phytoplankton due to both seasonal light increase and the development of a near-surface vertical density gradient (stratification) that inhibits vertical mixing of the phytoplankton. Classically and in current climate models, that stratification is ascribed to a springtime warming of the sea surface. Here, using observations from the subpolar North Atlantic and a three-dimensional biophysical model, we show that the initial stratification and resulting bloom are instead caused by eddy-driven slumping of the basin-scale north-south density gradient, resulting in a patchy bloom beginning 20 to 30 days earlier than would occur by warming.

Initial Reduction of CO2 on Pd-, Ru-, and Cu-Doped CeO2(111) Surfaces: Effects of Surface Modification on Catalytic Activity and Selectivity.

PubMed

Guo, Chen; Wei, Shuxian; Zhou, Sainan; Zhang, Tian; Wang, Zhaojie; Ng, Siu-Pang; Lu, Xiaoqing; Wu, Chi-Man Lawrence; Guo, Wenyue

2017-08-09

Surface modification by metal doping is an effective treatment technique for improving surface properties for CO 2 reduction. Herein, the effects of doped Pd, Ru, and Cu on the adsorption, activation, and reduction selectivity of CO 2 on CeO 2 (111) were investigated by periodic density functional theory. The doped metals distorted the configuration of a perfect CeO 2 (111) by weakening the adjacent Ce-O bond strength, and Pd doping was beneficial for generating a highly active O vacancy. The analyses of adsorption energy, charge density difference, and density of states confirmed that the doped metals were conducive for enhancing CO 2 adsorption, especially for Cu/CeO 2 (111). The initial reductive dissociation CO 2 → CO* + O* on metal-doped CeO 2 (111) followed the sequence of Cu- > perfect > Pd- > Ru-doped CeO 2 (111); the reductive hydrogenation CO 2 + H → COOH* followed the sequence of Cu- > perfect > Ru- > Pd-doped CeO 2 (111), in which the most competitive route on Cu/CeO 2 (111) was exothermic by 0.52 eV with an energy barrier of 0.16 eV; the reductive hydrogenation CO 2 + H → HCOO* followed the sequence of Ru- > perfect > Pd-doped CeO 2 (111). Energy barrier decomposition analyses were performed to identify the governing factors of bond activation and scission along the initial CO 2 reduction routes. Results of this study provided deep insights into the effect of surface modification on the initial reduction mechanisms of CO 2 on metal-doped CeO 2 (111) surfaces.

U.S.A. National Surface Rock Density Map - Part 2

NASA Astrophysics Data System (ADS)

Winester, D.

2016-12-01

A map of surface rock densities over the USA has been developed by the NOAA-National Geodetic Survey (NGS) as part of its Gravity for the Redefinition of the American Vertical Datum (GRAV-D) Program. GRAV-D is part of an international effort to generate a North American gravimetric geoid for use as the vertical datum reference surface. As a part of modeling process, it is necessary to eliminate from the observed gravity data the topographic and density effects of all masses above the geoid. However, the long-standing tradition in geoid modeling, which is to use an average rock density (e.g. 2.67 g/cm3), does not adequately represent the variety of lithologies in the USA. The U.S. Geological Survey has assembled a downloadable set of surface geologic formation maps (typically 1:100,000 to 1:500, 000 scale in NAD27) in GIS format. The lithologies were assigned densities typical of their rock type (Part 1) and these variety of densities were then rasterized and averaged over one arc-minute areas. All were then transformed into WGS84 datum. Thin layers of alluvium and some water bodies (interpreted to be less than 40 m thick) have been ignored in deference to underlying rocks. Deep alluvial basins have not been removed, since they represent significant fraction of local mass. The initial assumption for modeling densities will be that the surface rock densities extend down to the geoid. If this results in poor modeling, variable lithologies with depth can be attempted. Initial modeling will use elevations from the SRTM DEM. A map of CONUS densities is presented (denser lithologies are shown brighter). While a visual map at this scale does show detailed features, digital versions are available upon request. Also presented are some pitfalls of using source GIS maps digitized from variable reference sources, including the infamous `state line faults.'

Relationships between substrate, surface characteristics, and vegetation in an initial ecosystem

NASA Astrophysics Data System (ADS)

Biber, P.; Seifert, S.; Zaplata, M. K.; Schaaf, W.; Pretzsch, H.; Fischer, A.

2013-12-01

We investigated surface and vegetation dynamics in the artificial initial ecosystem "Chicken Creek" (Lusatia, Germany) in the years 2006-2011 across a wide spectrum of empirical data. We scrutinized three overarching hypotheses concerning (1) the relations between initial geomorphological and substrate characteristics with surface structure and terrain properties, (2) the effects of the latter on the occurrence of grouped plant species, and (3) vegetation density effects on terrain surface change. Our data comprise and conflate annual vegetation monitoring results, biennial terrestrial laser scans (starting in 2008), annual groundwater levels, and initially measured soil characteristics. The empirical evidence mostly confirms the hypotheses, revealing statistically significant relations for several goal variables: (1) the surface structure properties, local rill density, local relief energy and terrain surface height change; (2) the cover of different plant groups (annual, herbaceous, grass-like, woody, Fabaceae), and local vegetation height; and (3) terrain surface height change showed significant time-dependent relations with a variable that proxies local plant biomass. Additionally, period specific effects (like a calendar-year optimum effect for the occurrence of Fabaceae) were proven. Further and beyond the hypotheses, our findings on the spatiotemporal dynamics during the system's early development grasp processes which generally mark the transition from a geo-hydro-system towards a bio-geo-hydro system (weakening geomorphology effects on substrate surface dynamics, while vegetation effects intensify with time), where pure geomorphology or substrate feedbacks are changing into vegetation-substrate feedback processes.

Reduction of damage initiation density in fused silica optics via UV laser conditioning

DOEpatents

Peterson, John E.; Maricle, Stephen M.; Brusasco, Raymond M.; Penetrante, Bernardino M.

2004-03-16

The present invention provides a method for reducing the density of sites on the surface of fused silica optics that are prone to the initiation of laser-induced damage, resulting in optics which have far fewer catastrophic defects and are better capable of resisting optical deterioration upon exposure for a long period of time to a high-power laser beam having a wavelength of about 360 nm or less. The initiation of laser-induced damage is reduced by conditioning the optic at low fluences below levels that normally lead to catastrophic growth of damage. When the optic is then irradiated at its high fluence design limit, the concentration of catastrophic damage sites that form on the surface of the optic is greatly reduced.

Low-dislocation-density epitatial layers grown by defect filtering by self-assembled layers of spheres

DOEpatents

Wang, George T.; Li, Qiming

2013-04-23

A method for growing low-dislocation-density material atop a layer of the material with an initially higher dislocation density using a monolayer of spheroidal particles to bend and redirect or directly block vertically propagating threading dislocations, thereby enabling growth and coalescence to form a very-low-dislocation-density surface of the material, and the structures made by this method.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martinez, Andre P.; Carrillo, Jan-Michael Y.; Dobrynin, Andrey V.

The molecular weight and polydispersity of the chains in a polymer brush are critical parameters determining the brush properties. However, the characterization of polymer brushes is hindered by the vanishingly small mass of polymer present in brush layers. In this study, in order to obtain sufficient quantities of polymer for analysis, polymer brushes were grown from high surface area fibrous nylon membranes by ATRP. We synthesized the brushes with varying surface initiator densities, polymerization times, and amounts of sacrificial initiator, then cleaved from the substrate, and analyzed by GPC and NMR. Characterization showed that the surface-grown polymer chains were moremore » polydisperse and had lower average molecular weight compared to solution-grown polymers synthesized concurrently. Furthermore, the molecular weight distribution of the polymer brushes was observed to be bimodal, with a low molecular weight population of chains representing a significant mass fraction of the polymer chains at high surface initiator densities. Moreover, the origin of this low MW polymer fraction is proposed to be the termination of growing chains by recombination during the early stages of polymerization, a mechanism confirmed by molecular dynamics simulations of brush polymerization.« less

Plane wave density functional molecular dynamics study of exothermic reactions of Al/CuO thermites

NASA Astrophysics Data System (ADS)

Oloriegbe, Suleiman; Sewell, Thomas; Chen, Zhen; Jiang, Shan; Gan, Yong

2014-03-01

Exothermic reactions between nanosize aluminum (Al) and copper oxide (CuO) structures are of current interest because of their high reaction enthalpy and energy density which exceed those of traditional monomolecular energetic compounds such as TNT, RDX, and HMX. In this work, molecular dynamics simulations with forces obtained from plane wave density functional theory are used to investigate the atomic-scale and electronic processes that occur during the fast thermite reactions between Al and CuO nanostructures under adiabatic conditions. Aluminum surfaces in contact with O-exposed and Cu-exposed CuO surfaces are studied. Starting from initial temperature T = 800 K, we have observed: faster chemical reaction at the oxygen-rich interface during the initial 0.5 ps, linear temperature rise, and fast oxygen diffusion into the Al region with the rate 1.87 X 10-3 cm2/s. The density-derived electrostatic and chemical method is used to evaluate the net atomic charges and charge transfer during the important redox processes. High charge density around the oxygen-exposed interface may be responsible for the faster initial reactions at that interface. The overall reaction rate, determined using the time evolution of Cu-O charge orbital overlap population, is approximately first order.

Effect of initial densities in the lattice Boltzmann model for non-ideal fluid with curved interface

NASA Astrophysics Data System (ADS)

Gong, Jiaming; Oshima, Nobuyuki

2017-06-01

The effect of initial densities in a free energy based two-phase-flow lattice Boltzmann method for non-ideal fluids with a curved interface was investigated in the present work. To investigate this effect, the initial densities in the liquid and gas phases coming from the saturation points and the equilibrium state were adopted in the simulation of a static droplet in an open and a closed system. For the purpose of simplicity and easier comparison, the closed system is fabricated by the implementation of the periodic boundary condition at the inlet and outlet of a gas channel, and the open system is fabricated by the implementation of a constant flux boundary condition at the inlet and a free-out boundary condition at the outlet of the same gas channel. By comparing the simulation results from the two types of initial densities in the open and closed systems, it is proven that the commonly used saturation initial densities setting is the reason for droplet mass and volume variation which occurred in the simulation, particularly in the open system with a constant flux boundary condition. Such problems are believed to come from the curvature effect of the surface tension and can be greatly reduced by adopting the initial densities in the two phases from equilibrium state.

Effect of argon implantation on solid-state dewetting: control of size and surface density of silicon nanocrystals.

PubMed

Almadori, Y; Borowik, Ł; Chevalier, N; Barbé, J-C

2017-01-27

Thermally induced solid-state dewetting of ultra-thin films on insulators is a process of prime interest, since it is capable of easily forming nanocrystals. If no particular treatment is performed to the film prior to the solid-state dewetting, it is already known that the size, the shape and the density of nanocrystals is governed by the initial film thickness. In this paper, we report a novel approach to control the size and the surface density of silicon nanocrystals based on an argon-implantation preliminary surface treatment. Using 7.5 nm thin layers of silicon, we show that increasing the implantation dose tends to form smaller silicon nanocrystals with diameter and height lower than 50 nm and 30 nm, respectively. Concomitantly, the surface density is increased by a factor greater than 20, going from 5 μm -2 to values over 100 μm -2 .

Numerical Simulations of Turbulent Molecular Clouds Regulated by Radiation Feedback Forces. II. Radiation-Gas Interactions and Outflows

NASA Astrophysics Data System (ADS)

Raskutti, Sudhir; Ostriker, Eve C.; Skinner, M. Aaron

2017-12-01

Momentum deposition by radiation pressure from young, massive stars may help to destroy molecular clouds and unbind stellar clusters by driving large-scale outflows. We extend our previous numerical radiation hydrodynamic study of turbulent star-forming clouds to analyze the detailed interaction between non-ionizing UV radiation and the cloud material. Our simulations trace the evolution of gas and star particles through self-gravitating collapse, star formation, and cloud destruction via radiation-driven outflows. These models are idealized in that we include only radiation feedback and adopt an isothermal equation of state. Turbulence creates a structure of dense filaments and large holes through which radiation escapes, such that only ˜50% of the radiation is (cumulatively) absorbed by the end of star formation. The surface density distribution of gas by mass as seen by the central cluster is roughly lognormal with {σ }{ln{{Σ }}}=1.3{--}1.7, similar to the externally projected surface density distribution. This allows low surface density regions to be driven outwards to nearly 10 times their initial escape speed {v}{esc}. Although the velocity distribution of outflows is broadened by the lognormal surface density distribution, the overall efficiency of momentum injection to the gas cloud is reduced because much of the radiation escapes. The mean outflow velocity is approximately twice the escape speed from the initial cloud radius. Our results are also informative for understanding galactic-scale wind driving by radiation, in particular, the relationship between velocity and surface density for individual outflow structures and the resulting velocity and mass distributions arising from turbulent sources.

Density-functional theory study of the initial oxygen incorporation in Pd(111)

NASA Astrophysics Data System (ADS)

Todorova, Mira; Reuter, Karsten; Scheffler, Matthias

2005-05-01

Pd(111) has recently been shown to exhibit a propensity to form a subnanometer thin surface oxide film already well before a full monolayer coverage of adsorbed O atoms is reached on the surface. Aiming at an atomic-scale understanding of this finding, we study the initial oxygen incorporation into the Pd(111) surface using density-functional theory. We find that oxygen incorporation into the sub-surface region starts at essentially the same coverage as formation of the surface oxide. This implies that the role of sub-surface oxygen should be considered as that of a metastable precursor in the oxidation process of the surface. The mechanisms found to play a role towards the ensuing stabilization of an ordered oxidic structure with a mixed on-surface/sub-surface site occupation follow a clear trend over the late 4d transition metal series, as seen by comparing our data to previously published studies concerned with oxide formation at the basal surface of Ru, Rh, and Ag. The formation of a linearly aligned O-TM-O trilayered structure (TM=Ru,Rh,Pd,Ag) , together with an efficient coupling to the underlying substrate seem to be key ingredients in this respect.

Simple model of surface roughness for binary collision sputtering simulations

NASA Astrophysics Data System (ADS)

Lindsey, Sloan J.; Hobler, Gerhard; Maciążek, Dawid; Postawa, Zbigniew

2017-02-01

It has been shown that surface roughness can strongly influence the sputtering yield - especially at glancing incidence angles where the inclusion of surface roughness leads to an increase in sputtering yields. In this work, we propose a simple one-parameter model (the "density gradient model") which imitates surface roughness effects. In the model, the target's atomic density is assumed to vary linearly between the actual material density and zero. The layer width is the sole model parameter. The model has been implemented in the binary collision simulator IMSIL and has been evaluated against various geometric surface models for 5 keV Ga ions impinging an amorphous Si target. To aid the construction of a realistic rough surface topography, we have performed MD simulations of sequential 5 keV Ga impacts on an initially crystalline Si target. We show that our new model effectively reproduces the sputtering yield, with only minor variations in the energy and angular distributions of sputtered particles. The success of the density gradient model is attributed to a reduction of the reflection coefficient - leading to increased sputtering yields, similar in effect to surface roughness.

Improving engineered wood fiber surfaces for accessible playgrounds.

Treesearch

Theodore Laufenberg; Andrzej Krzysik; Jerrold Winandy

2003-01-01

Some engineered wood fiber surfaces are uneven, tend to shift, and have low density. The goal of our research was to develop a playground surface material that cushions impact and is accessible to people with disabilities. In the initial screening phase, we evaluated a variety of in situ surface treatments and mixtures of wood particles combined with various binders....

Using Ice and Dust Lines to Constrain the Surface Densities of Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Powell, Diana; Murray-Clay, Ruth; Schlichting, Hilke

2018-04-01

The surface density of protoplanetary disks is a fundamental parameter that still remains largely unconstrained due to uncertainties in the dust-to-gas ratio and CO abundance. In this talk I will present a novel method for determining the surface density of protoplanetary disks through consideration of disk “dust lines,” which indicate the observed disk radial scale at different observational wavelengths. I will provide an initial proof of concept of our model through an application to the disk TW Hya where we are able to estimate the disk dust-to-gas ratio, CO abundance, and accretion rate in addition to the total disk surface density. We find that our derived surface density profile and dust-to-gas ratio are consistent with the lower limits found through measurements of HD gas. We further apply our model to a large parameter space of theoretical disks and find three observational diagnostics that may be used to test its validity. Using this method we derive disks that may be much more massive than previously thought, often approaching the limit of gravitational stability.

Surface Snow Density of East Antarctica Derived from In-Situ Observations

NASA Astrophysics Data System (ADS)

Tian, Y.; Zhang, S.; Du, W.; Chen, J.; Xie, H.; Tong, X.; Li, R.

2018-04-01

Models based on physical principles or semi-empirical parameterizations have used to compute the firn density, which is essential for the study of surface processes in the Antarctic ice sheet. However, parameterization of surface snow density is often challenged by the description of detailed local characterization. In this study we propose to generate a surface density map for East Antarctica from all the filed observations that are available. Considering that the observations are non-uniformly distributed around East Antarctica, obtained by different methods, and temporally inhomogeneous, the field observations are used to establish an initial density map with a grid size of 30 × 30 km2 in which the observations are averaged at a temporal scale of five years. We then construct an observation matrix with its columns as the map grids and rows as the temporal scale. If a site has an unknown density value for a period, we will set it to 0 in the matrix. In order to construct the main spatial and temple information of surface snow density matrix we adopt Empirical Orthogonal Function (EOF) method to decompose the observation matrix and only take first several lower-order modes, because these modes already contain most information of the observation matrix. However, there are a lot of zeros in the matrix and we solve it by using matrix completion algorithm, and then we derive the time series of surface snow density at each observation site. Finally, we can obtain the surface snow density by multiplying the modes interpolated by kriging with the corresponding amplitude of the modes. Comparative analysis have done between our surface snow density map and model results. The above details will be introduced in the paper.

An investigation of crown fuel bulk density effects on the dynamics of crown fire initiation in shrublands

Treesearch

Watcharapong Tachajapong; Jesse Lozano; Shankar Mahalingam; Xiangyang Zhou; David R. Weise

2008-01-01

Crown fire initiation is studied by using a simple experimental and detailed physical modeling based on Large Eddy Simulation (LES). Experiments conducted thus far reveal that crown fuel ignition via surface fire occurs when the crown base is within the continuous flame region and does not occur when the crown base is located in the hot plume gas region of the surface...

Investigation of atomic oxygen-surface interactions related to measurements with dual air density explorer satellites

NASA Technical Reports Server (NTRS)

Wood, B. J.; Ablow, C. M.; Wise, H.

1973-01-01

For a number of candidate materials of construction for the dual air density explorer satellites the rate of oxygen atom loss by adsorption, surface reaction, and recombination was determined as a function of surface and temperature. Plain aluminum and anodized aluminum surfaces exhibit a collisional atom loss probability alpha .01 in the temperature range 140 - 360 K, and an initial sticking probability. For SiO coated aluminum in the same temperature range, alpha .001 and So .001. Atom-loss on gold is relatively rapid alpha .01. The So for gold varies between 0.25 and unity in the temperature range 360 - 140 K.

Adhesion and splash dispersal of Salmonella enterica Typhimurium on tomato leaflets: effects of rdar morphotype and trichome density.

PubMed

Cevallos-Cevallos, Juan M; Gu, Ganyu; Danyluk, Michelle D; van Bruggen, Ariena H C

2012-11-01

Salmonella enterica strains with rdar (red dry and rough) and saw (smooth and white) morphotypes have previously been associated with tomato outbreaks but the dispersal mechanisms of these morphotypes are still poorly understood. In this study, Salmonella adhesion was distinguished from attachment by comparing different contact periods. Initial adhesion of rdar and saw morphotypes of Salmonella was compared in relation to tomato plants with different leaf trichome densities. Trichome densities were increased or reduced by treatment with jasmonic or salicylic acid, respectively. The overall effect of Salmonella morphotype and trichome density on splash dispersal was assessed in a rain simulator and correlated to cell hydrophobicity and initial adhesion. The presence of the rdar morphotype increased initial adhesion at high trichome densities but not at low trichome densities. Attachment of the rdar strain occurred after 30s contact time regardless of trichome density. Splash dispersal was slightly further for the saw morphotype than the rdar morphotype of S. enterica at all trichome densities. Salmonella cells of both morphotypes survived significantly better on the surface of high trichome density leaflets. Copyright © 2012 Elsevier B.V. All rights reserved.

Behavior of pentacene initial nucleation on various dielectrics and its effect on carrier transport in organic field-effect transistor.

PubMed

Qi, Qiong; Yu, Aifang; Wang, Liangmin; Jiang, Chao

2010-11-01

The influence of dielectric surface energy on the initial nucleation and the growth of pentacene films as well as the electrical properties of the pentacene-based field-effect transistors are investigated. We have examined a range of organic and inorganic dielectrics with different surface energies, such as polycarbonate/SiO2, polystyrene/SiO2, and PMMA/SiO2 bi-layered dielectrics and also the bare SiO2 dielectric. Atomic force microscopy measurements of sub-monolayer and thick pentacene films indicated that the growth of pentacene film was in Stranski-Kranstanow growth mode on all the dielectrics. However, the initial nucleation density and the size of the first-layered pentacene islands deposited on different dielectrics are drastically influenced by the dielectric surface energy. With the increasing of the surface energy, the nucleation density increased and thus the average size of pentacene islands for the first mono-layer deposition decreased. The performance of fabricated pentacene-based thin film transistors was found to be highly related to nucleation density and the island size of deposited Pentacene film, and it had no relationship to the final particle size of the thick pentacene film. The field effect mobility of the thin film transistor could be achieved as high as 1.38 cm2Ns with on/off ratio over 3 x 10(7) on the PS/SiO2 where the lowest surface energy existed among all the dielectrics. For comparison, the values of mobility and on/off ratio were 0.42 cm2Ns and 1 x 10(6) for thin film transistor deposited directly on bare SiO2 having the highest surface energy.

Magnetic field-related heating instabilities in the surface layers of the sun and stars

NASA Technical Reports Server (NTRS)

Ferrari, A.; Rosner, R.; Vaiana, G. S.

1982-01-01

The stability of a magnetized low-density plasma to current-driven filamentation instabilities is investigated and the results are applied to the surface layers of stars. Unlike previous studies, the initial (i.e., precoronal) state of the stellar surface atmosphere is taken to be a low-density, optically thin magnetized plasma in radiative equilibrium. The linear analysis shows that the surface layers of main-sequence stars (including the sun) which are threaded by magnetic fields are unstable; the instabilities considered lead to structuring perpendicular to the ambient magnetic fields. These results suggest that relatively modest surface motions, in conjunction with the presence of magnetic fields, suffice to account for the presence of inhomogeneous chromospheric and coronal plasma overlying a star's surface.

Distribution of Chains in Polymer Brushes Produced by a “Grafting From” Mechanism

DOE PAGES

Martinez, Andre P.; Carrillo, Jan-Michael Y.; Dobrynin, Andrey V.; ...

2016-01-11

The molecular weight and polydispersity of the chains in a polymer brush are critical parameters determining the brush properties. However, the characterization of polymer brushes is hindered by the vanishingly small mass of polymer present in brush layers. In this study, in order to obtain sufficient quantities of polymer for analysis, polymer brushes were grown from high surface area fibrous nylon membranes by ATRP. We synthesized the brushes with varying surface initiator densities, polymerization times, and amounts of sacrificial initiator, then cleaved from the substrate, and analyzed by GPC and NMR. Characterization showed that the surface-grown polymer chains were moremore » polydisperse and had lower average molecular weight compared to solution-grown polymers synthesized concurrently. Furthermore, the molecular weight distribution of the polymer brushes was observed to be bimodal, with a low molecular weight population of chains representing a significant mass fraction of the polymer chains at high surface initiator densities. Moreover, the origin of this low MW polymer fraction is proposed to be the termination of growing chains by recombination during the early stages of polymerization, a mechanism confirmed by molecular dynamics simulations of brush polymerization.« less

An experimental study to investigate biomechanical aspects of the initial stability of press-fit implants.

PubMed

Berahmani, Sanaz; Janssen, Dennis; van Kessel, Sal; Wolfson, David; de Waal Malefijt, Maarten; Buma, Pieter; Verdonschot, Nico

2015-02-01

Initial fixation of press-fit implants depends on interference fit, surface morphology, and bone material properties. To understand the biomechanical effect of each factor and their interactions, the pull-out strength of seven types of CoCrMo tapered implants, with four different interference fits, three different surface morphologies (low, medium and high roughness), and at two time points (0 and 30 min) were tested in trabecular bone with varying density. The effect of interference fit on pull-out strength depended on the surface morphology and time. In contrast with our expectations, samples with a higher roughness had a lower pull-out strength. We found a similar magnitude of bone damage for the different surface morphologies, but the type of damage was different, with bone compaction versus bone abrasion for low and high frictional surfaces, respectively. This explains a reduced sensitivity of fixation strength to bone mineral density in the latter group. In addition, a reduction in fixation strength after a waiting period only occurred for the low frictional specimens. Our study demonstrates that it is essential to evaluate the interplay between different factors and emphasizes the importance of testing in natural bone in order to optimize the initial stability of press-fit implants. Copyright © 2014 Elsevier Ltd. All rights reserved.

Population Dynamics of Dactylella oviparasitica and Heterodera schachtii: Toward a Decision Model for Sugar Beet Planting

PubMed Central

Yang, Jiue-in; Benecke, Scott; Jeske, Daniel R.; Rocha, Fernando S.; Smith Becker, Jennifer; Timper, Patricia; Ole Becker, J.

2012-01-01

A series of experiments were performed to examine the population dynamics of the sugarbeet cyst nematode, Heterodera schachtii, and the nematophagus fungus Dactylella oviparasitica. After two nematode generations, the population densities of H. schachtii were measured in relation to various initial infestation densities of both D. oviparasitica and H. schachtii. In general, higher initial population densities of D. oviparasitica were associated with lower final population densities of H. schachtii. Regression models showed that the initial densities of D. oviparasitica were only significant when predicting the final densities of H. schachtii J2 and eggs as well as fungal egg parasitism, while the initial densities of J2 were significant for all final H. schachtii population density measurements. We also showed that the densities of H. schachtii-associated D. oviparasitica fluctuate greatly, with rRNA gene numbers going from zero in most field-soil-collected cysts to an average of 4.24 x 108 in mature females isolated directly from root surfaces. Finally, phylogenetic analysis of rRNA genes suggested that D. oviparasitica belongs to a clade of nematophagous fungi that includes Arkansas Fungus strain L (ARF-L) and that these fungi are widely distributed. We anticipate that these findings will provide foundational data facilitating the development of more effective decision models for sugar beet planting. PMID:23481664

Using Ice and Dust Lines to Constrain the Surface Densities of Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Powell, Diana; Murray-Clay, Ruth; Schlichting, Hilke E.

2017-05-01

We present a novel method for determining the surface density of protoplanetary disks through consideration of disk “dust lines,” which indicate the observed disk radial scale at different observational wavelengths. This method relies on the assumption that the processes of particle growth and drift control the radial scale of the disk at late stages of disk evolution such that the lifetime of the disk is equal to both the drift timescale and growth timescale of the maximum particle size at a given dust line. We provide an initial proof of concept of our model through an application to the disk TW Hya and are able to estimate the disk dust-to-gas ratio, CO abundance, and accretion rate in addition to the total disk surface density. We find that our derived surface density profile and dust-to-gas ratio are consistent with the lower limits found through measurements of HD gas. The CO ice line also depends on surface density through grain adsorption rates and drift and we find that our theoretical CO ice line estimates have clear observational analogues. We further apply our model to a large parameter space of theoretical disks and find three observational diagnostics that may be used to test its validity. First, we predict that the dust lines of disks other than TW Hya will be consistent with the normalized CO surface density profile shape for those disks. Second, surface density profiles that we derive from disk ice lines should match those derived from disk dust lines. Finally, we predict that disk dust and ice lines will scale oppositely, as a function of surface density, across a large sample of disks.

Global strong solutions to radial symmetric compressible Navier-Stokes equations with free boundary

NASA Astrophysics Data System (ADS)

Li, Hai-liang; Zhang, Xingwei

2016-12-01

In this paper, we consider the two-dimensional barotropic compressible Navier-Stokes equations with stress free boundary condition imposed on the free surface. As the viscosity coefficients satisfies μ (ρ) = 2 μ, λ (ρ) =ρβ, β > 1, we establish the existence of global strong solution for arbitrarily large spherical symmetric initial data even if the density vanishes across the free boundary. In particular, we show that the density is strictly positive and bounded from the above and below in any finite time if the initial density is strictly positive, and the free boundary propagates along the particle path and expand outwards at an algebraic rate.

High-Energy-Density Shear Flow and Instability Experiments

NASA Astrophysics Data System (ADS)

Doss, F. W.; Flippo, K. A.; Merritt, E. C.; di Stefano, C. A.; Devolder, B. G.; Kurien, S.; Kline, J. L.

2017-10-01

High-energy-density shear experiments have been performed by LANL at the OMEGA Laser Facility and National Ignition Facility (NIF). The experiments have been simulated using the LANL radiation-hydrocode RAGE and have been used to assess turbulence models ability to function in the high-energy-density, inertial- fusion-relevant regime. Beginning with the basic configuration of two counter-oriented shock-driven flows of >= 100 km/s, which initiate a strong shear instability across an initially solid-density, 20 μm thick Al plate, variations of the experiment to details of the initial conditions have been performed. These variations have included increasing the fluid densities (by modifying the plate material from Al to Ti and Cu), imposing sinusoidal seed perturbations on the plate, and directly modifying the plate's intrinsic surface roughness. Radiography of the unseeded layer has revealed the presence of emergent Kelvin-Helmholtz structures which may be analyzed to infer fluid-mechanical properties including turbulent energy density. This work is conducted by the US DOE by LANL under contract DE-0AC52-06NA25396. This abstract is LA-UR-16-24930.

Development of a Multicenter Density Functional Tight Binding Model for Plutonium Surface Hydriding.

PubMed

Goldman, Nir; Aradi, Bálint; Lindsey, Rebecca K; Fried, Laurence E

2018-05-08

We detail the creation of a multicenter density functional tight binding (DFTB) model for hydrogen on δ-plutonium, using a framework of new Slater-Koster interaction parameters and a repulsive energy based on the Chebyshev Interaction Model for Efficient Simulation (ChIMES), where two- and three-center atomic interactions are represented by linear combinations of Chebyshev polynomials. We find that our DFTB/ChIMES model yields a total electron density of states for bulk δ-Pu that compares well to that from Density Functional Theory, as well as to a grid of energy calculations representing approximate H 2 dissociation paths on the δ-Pu (100) surface. We then perform molecular dynamics simulations and minimum energy pathway calculations to determine the energetics of surface dissociation and subsurface diffusion on the (100) and (111) surfaces. Our approach allows for the efficient creation of multicenter repulsive energies with a relatively small investment in initial DFT calculations. Our efforts are particularly pertinent to studies that rely on quantum calculations for interpretation and validation, such as experimental determination of chemical reactivity both on surfaces and in condensed phases.

Microenergetic Shock Initiation Studies on Deposited Films of PETN

NASA Astrophysics Data System (ADS)

Tappan, Alexander S.; Wixom, Ryan R.; Trott, Wayne M.; Long, Gregory T.; Knepper, Robert; Brundage, Aaron L.; Jones, David A.

2009-06-01

Films of the high explosive PETN (pentaerythritol tetranitrate) up to 500-μm thick have been deposited through physical vapor deposition, with the intent of creating well-defined samples for shock-initiation studies. PETN films were characterized with surface profilometry, scanning electron microscopy, x-ray diffraction, and focused ion beam nanotomography. These high-density films were subjected to strong shocks in both the in-plane and out-of-plane orientations. Initiation behavior was monitored with high-speed framing and streak camera photography. Direct initiation with a donor explosive (either RDX with binder, or CL-20 with binder) was possible in both orientations, but with the addition of a thin aluminum buffer plate (in-plane configuration only), initiation proved to be difficult due to the attenuated shock and the high density of the PETN films. Mesoscale models of microenergetic samples were created using the shock physics code CTH and compared with experimental results. The results of these experiments will be discussed in the context of small sample geometry, deposited film morphology, and density.

A Computer Code for Fully-Coupled Rocket Nozzle Flows (FULLNOZ)

DTIC Science & Technology

1975-04-01

surface (i.e. each integration It would be useful to incorporate an "initializing" scheme which utilizes comb tstion chamber properties as initial...density is greater than the critical electron density. (During the initial stages of the expansion process , where particle tempera- tures are very high it...34iW to19Cs*4909too xs *d99$900 wool ?* 0. SeFC16, .t) .6?900 1, 3x *,30?%I0 to 41,171 0I. 9"CI ,."v *?’o.9 A3 qhbs99r.oo, v.U118 0.1 ,t It Od Cs Sol-C

Shock front distortion and Richtmyer-Meshkov-type growth caused by a small preshock nonuniformity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Velikovich, A. L.; Wouchuk, J. G.; Huete Ruiz de Lira, C.

The response of a shock front to small preshock nonuniformities of density, pressure, and velocity is studied theoretically and numerically. These preshock nonuniformities emulate imperfections of a laser target, due either to its manufacturing, like joints or feeding tubes, or to preshock perturbation seeding/growth, as well as density fluctuations in foam targets, ''thermal layers'' near heated surfaces, etc. Similarly to the shock-wave interaction with a small nonuniformity localized at a material interface, which triggers a classical Richtmyer-Meshkov (RM) instability, interaction of a shock wave with periodic or localized preshock perturbations distributed in the volume distorts the shape of the shockmore » front and can cause a RM-type instability growth. Explicit asymptotic formulas describing distortion of the shock front and the rate of RM-type growth are presented. These formulas are favorably compared both to the exact solutions of the corresponding initial-boundary-value problem and to numerical simulations. It is demonstrated that a small density modulation localized sufficiently close to a flat target surface produces the same perturbation growth as an 'equivalent' ripple on the surface of a uniform target, characterized by the same initial areal mass modulation amplitude.« less

Dynamical histories of the IC 348 and NGC 1333 star-forming regions in Perseus

NASA Astrophysics Data System (ADS)

Parker, Richard J.; Alves de Oliveira, Catarina

2017-07-01

We present analyses of the spatial distributions of stars in the young (1-3 Myr) star-forming regions IC 348 and NGC 1333 in the Perseus giant molecular cloud. We quantify the spatial structure using the Q-parameter and find that both IC 348 and NGC 1333 are smooth and centrally concentrated with Q-parameters of 0.98 and 0.89, respectively. Neither region exhibits mass segregation (Λ _MSR = 1.1^{+0.2}_{-0.3} for IC 348 and Λ _MSR = 1.2^{+0.4}_{-0.3} for NGC 1333, where ΛMSR ˜ 1 corresponds to no mass segregation) nor do the most massive stars reside in areas of enhanced stellar surface density compared to the average surface density, according to the ΣLDR method. We then constrain the dynamical histories and hence initial conditions of both regions by comparing the observed values to N-body simulations at appropriate ages. Stars in both regions likely formed with subvirial velocities that contributed to merging of substructure and the formation of smooth clusters. The initial stellar densities were no higher than ρ ˜ 100-500 M⊙ pc-3 for IC 348 and ρ ˜ 500-2000 M⊙ pc-3 for NGC 1333. These initial densities, in particular that of NGC 1333, are high enough to facilitate dynamical interactions that would likely affect ˜10 per cent of protoplanetary discs and binary stars.

Study of adhesion and friction properties on a nanoparticle gradient surface: transition from JKR to DMT contact mechanics.

PubMed

Ramakrishna, Shivaprakash N; Nalam, Prathima C; Clasohm, Lucy Y; Spencer, Nicholas D

2013-01-08

We have previously investigated the dependence of adhesion on nanometer-scale surface roughness by employing a roughness gradient. In this study, we correlate the obtained adhesion forces on nanometer-scale rough surfaces to their frictional properties. A roughness gradient with varying silica particle (diameter ≈ 12 nm) density was prepared, and adhesion and frictional forces were measured across the gradient surface in perfluorodecalin by means of atomic force microscopy with a polyethylene colloidal probe. Similarly to the pull-off measurements, the frictional forces initially showed a reduction with decreasing particle density and later an abrupt increase as the colloidal sphere began to touch the flat substrate beneath, at very low particle densities. The friction-load relation is found to depend on the real contact area (A(real)) between the colloid probe and the underlying particles. At high particle density, the colloidal sphere undergoes large deformations over several nanoparticles, and the contact adhesion (JKR type) dominates the frictional response. However, at low particle density (before the colloidal probe is in contact with the underlying surface), the colloidal sphere is suspended by a few particles only, resulting in local deformations of the colloid sphere, with the frictional response to the applied load being dominated by long-range, noncontact (DMT-type) interactions with the substrate beneath.

A Comparison of Young Star Properties with Local Galactic Environment for LEGUS/LITTLE THINGS Dwarf Irregular Galaxies

NASA Astrophysics Data System (ADS)

Hunter, Deidre A.; Adamo, Angela; Elmegreen, Bruce G.; Gallardo, Samavarti; Lee, Janice C.; Cook, David O.; Thilker, David; Kayitesi, Bridget; Kim, Hwihyun; Kahre, Lauren; Ubeda, Leonardo; Bright, Stacey N.; Ryon, Jenna E.; Calzetti, Daniela; Tosi, Monica; Grasha, Kathryn; Messa, Matteo; Fumagalli, Michele; Dale, Daniel A.; Sabbi, Elena; Cignoni, Michele; Smith, Linda J.; Gouliermis, Dimitrios M.; Grebel, Eva K.; Aloisi, Alessandra; Whitmore, Bradley C.; Chandar, Rupali; Johnson, Kelsey E.

2018-07-01

We have explored the role environmental factors play in determining characteristics of young stellar objects in nearby dwarf irregular and blue compact dwarf galaxies. Star clusters are characterized by concentrations, masses, and formation rates; OB associations by mass and mass surface density; O stars by their numbers and near-ultraviolet absolute magnitudes; and H II regions by Hα surface brightnesses. These characteristics are compared to surrounding galactic pressure, stellar mass density, H I surface density, and star formation rate (SFR) surface density. We find no trend of cluster characteristics with environmental properties, implying that larger-scale effects are more important in determining cluster characteristics or that rapid dynamical evolution erases any memory of the initial conditions. On the other hand, the most massive OB associations are found at higher pressure and H I surface density, and there is a trend of higher H II region Hα surface brightness with higher pressure, suggesting that a higher concentration of massive stars and gas is found preferentially in regions of higher pressure. At low pressures we find massive stars but not bound clusters and OB associations. We do not find evidence for an increase of cluster formation efficiency as a function of SFR density. However, there is an increase in the ratio of the number of clusters to the number of O stars with increasing pressure, perhaps reflecting an increase in clustering properties with SFR.

Density of Mars' south polar layered deposits.

PubMed

Zuber, Maria T; Phillips, Roger J; Andrews-Hanna, Jeffrey C; Asmar, Sami W; Konopliv, Alexander S; Lemoine, Frank G; Plaut, Jeffrey J; Smith, David E; Smrekar, Suzanne E

2007-09-21

Both poles of Mars are hidden beneath caps of layered ice. We calculated the density of the south polar layered deposits by combining the gravity field obtained from initial results of radio tracking of the Mars Reconnaissance Orbiter with existing surface topography from the Mars Orbiter Laser Altimeter on the Mars Global Surveyor spacecraft and basal topography from the Mars Advanced Radar for Subsurface and Ionospheric Sounding on the Mars Express spacecraft. The results indicate a best-fit density of 1220 kilograms per cubic meter, which is consistent with water ice that has approximately 15% admixed dust. The results demonstrate that the deposits are probably composed of relatively clean water ice and also refine the martian surface-water inventory.

INTERNATIONAL CONFERENCE ON SEMICONDUCTOR INJECTION LASERS SELCO-87: Dependence of the photoluminescence density on surface preparation and properties of n-type InP

NASA Astrophysics Data System (ADS)

Knauer, A.; Gramlich, S.; Staske, R.

1988-11-01

Comprehensive studies were made of the relationship between the photoluminescence intensity and the effective carrier lifetime, on the one hand, and the quality of the surface treatment of wafers (damage, oxide layer thickness) and the initial properties of a material (surface and bulk defects, inhomogeneity of the dopant concentration), on the other.

Center for Opto-Electronic Systems Research.

DTIC Science & Technology

1988-02-01

Stroud, Jr. The Institute of Optics, University of Rochester Rochester, New York 14627 USA Abstract The Jaynes - Cummings model of a single two-level...surfaces, possibly to include certain classes of surfaces without rotational symmetry. An initial investigation was made of the surface roughness...number density of approximately 1018 - and the forward-going pump wave both enter the nonlinear -.molecules/cm3 . The intensities of the interacting

Modeled Seasonal Variations of Firn Density Induced by Steady State Surface Air Temperature Cycle

NASA Technical Reports Server (NTRS)

Jun, Li; Zwally, H. Jay; Koblinsky, Chester J. (Technical Monitor)

2001-01-01

Seasonal variations of firn density in ice-sheet firn layers have been attributed to variations in deposition processes or other processes within the upper firn. A recent high-resolution (mm scale) density profile, measured along a 181 m core from Antarctica, showed small-scale density variations with a clear seasonal cycle that apparently was not-related to seasonal variations in deposition or known near-surface processes (Gerland and others 1999). A recent model of surface elevation changes (Zwally and Li, submitted) produced a seasonal variation in firn densification, and explained the seasonal surface elevation changes observed by satellite radar altimeters. In this study, we apply our 1-D time-dependent numerical model of firn densification that includes a temperature-dependent formulation of firn densification based on laboratory measurements of grain growth. The model is driven by a steady-state seasonal surface temperature and a constant accumulation rate appropriate for the measured Antarctic ice core. The modeled seasonal variations in firn density show that the layers of snow deposited during spring to mid-summer with the highest temperature history compress to the highest density, and the layers deposited during later summer to autumn with the lowest temperature history compress to the lowest density. The initial amplitude of the seasonal difference of about 0.13 reduces to about 0.09 in five years and asymptotically to 0.92 at depth, which is consistent with the core measurements.

Global Characteristics of Porosity and Density Stratification Within the Lunar Crust from GRAIL Gravity and Lunar Orbiter Laser Altimeter Topography Data

NASA Technical Reports Server (NTRS)

Han, Shin-Chan; Schmerr, Nicholas; Neumann, Gregory; Holmes, Simon

2014-01-01

The Gravity Recovery and Interior Laboratory (GRAIL) mission is providing unprecedentedly high-resolution gravity data. The gravity signal in relation to topography decreases from 100 km to 30 km wavelength, equivalent to a uniform crustal density of 2450 kg/cu m that is 100 kg/cu m smaller than the density required at 100 km. To explain such frequency-dependent behavior, we introduce rock compaction models under lithostatic pressure that yield radially stratified porosity (and thus density) and examine the depth extent of porosity. Our modeling and analysis support the assertion that the crustal density must vary from surface to deep crust by up to 500 kg/cu m. We found that the surface density of mega regolith is around 2400 kg/cu m with an initial porosity of 10-20%, and this porosity is eliminated at 10-20 km depth due to lithostatic overburden pressure. Our stratified density models provide improved fits to both GRAIL primary and extended mission data.

Initialization of a mesoscale model for April 10, 1979, using alternative data sources

NASA Technical Reports Server (NTRS)

Kalb, M. W.

1984-01-01

A 35 km grid limited area mesoscale model was initialized with high density SESAME radiosonde data and high density TIROS-N satellite temperature profiles for April 10, 1979. These data sources were used individually and with low level wind fields constructed from surface wind observations. The primary objective was to examine the use of satellite temperature data for initializing a mesoscale model by comparing the forecast results with similar experiments employing radiosonde data. The impact of observed low level winds on the model forecasts was also investigated with experiments varying the method of insertion. All forecasts were compared with each other and with mesoscale observations for precipitation, mass and wind structure. Several forecasts produced convective precipitation systems with characteristics satisfying criteria for a mesoscale convective complex. High density satellite temperature data and balanced winds can be used in a mesoscale model to produce forecasts which verify favorably with observations.

In-situ NC-AFM measurements of high quality AlN(0001) layers grown at low growth rate on 4H-SiC(0001) and Si(111) substrates using ammonia molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chaumeton, Florian, E-mail: florian.chaumeton@cemes.fr; Gauthier, Sébastien, E-mail: gauthier@cemes.fr; Martrou, David, E-mail: david.martrou@cemes.fr

Nitride wide-band-gap semiconductors are used to make high power electronic devices or efficient light sources. The performance of GaN-based devices is directly linked to the initial AlN buffer layer. During the last twenty years of research on nitride growth, only few information on the AlN surface quality have been obtained, mainly by ex-situ characterization techniques. Thanks to a Non Contact Atomic Force Microscope (NC-AFM) connected under ultra high vacuum (UHV) to a dedicated molecular beam epitaxy (MBE) chamber, the surface of AlN(0001) thin films grown on Si(111) and 4H-SiC(0001) substrates has been characterized. These experiments give access to a quantitativemore » determination of the density of screw and edge dislocations at the surface. The layers were also characterized by ex-situ SEM to observe the largest defects such as relaxation dislocations and hillocks. The influence of the growth parameters (substrate temperature, growth speed, III/V ratio) and of the initial substrate preparation on the dislocation density was also investigated. On Si(111), the large in-plane lattice mismatch with AlN(0001) (19%) induces a high dislocation density ranging from 6 to 12×10{sup 10}/cm{sup 2} depending on the growth conditions. On 4H-SiC(0001) (1% mismatch with AlN(0001)), the dislocation density decreases to less than 10{sup 10}/cm{sup 2}, but hillocks appear, depending on the initial SiC(0001) reconstruction. The use of a very low growth rate of 10 nm/h at the beginning of the growth process allows to decrease the dislocation density below 2 × 10{sup 9}/cm{sup 2}.« less

Effects of a semi-infinite stratification on the Rayleigh-Taylor instability in an interface with surface tension

NASA Astrophysics Data System (ADS)

de Andrea González, Ángel; González-Gutiérrez, Leo M.

2017-09-01

The Rayleigh-Taylor instability (RTI) in an infinite slab where a constant density lower fluid is initially separated from an upper stratified fluid is discussed in linear regime. The upper fluid is of increasing exponential density and surface tension is considered between both of them. It was found useful to study stability by using the initial value problem approach (IVP), so that we ensure the inclusion of certain continuum modes, otherwise neglected. This methodology includes the branch cut in the complex plane, consequently, in addition to discrete modes (surface RTI modes), a set of continuum modes (internal RTI modes) also appears. As a result, the usual information given by the normal mode method is now complete. Furthermore, a new role is found for surface tension: to transform surface RTI modes (discrete spectrum) into internal RTI modes belonging to a continuous spectrum at a critical wavenumber. As a consequence, the cut-off wavenumber disappears: i.e. the growth rate of the RTI surface mode does not decay to zero at the cut-off wavenumber, as previous researchers used to believe. Finally, we found that, due to the continuum, the asymptotic behavior of the perturbation with respect to time is slower than the exponential when only the continuous spectrum exists.

Molecular dynamics simulation of sodium aluminosilicate glass structures and glass surface-water reactions using the reactive force field (ReaxFF)

NASA Astrophysics Data System (ADS)

Dongol, R.; Wang, L.; Cormack, A. N.; Sundaram, S. K.

2018-05-01

Reactive potentials are increasingly used to study the properties of glasses and glass water reactions in a reactive molecular dynamics (MD) framework. In this study, we have simulated a ternary sodium aluminosilicate glass and investigated the initial stages of the glass surface-water reactions at 300 K using reactive force field (ReaxFF). On comparison of the simulated glass structures generated using ReaxFF and classical Buckingham potentials, our results show that the atomic density profiles calculated for the surface glass structures indicate a bond-angle distribution dependency. The atomic density profiles also show higher concentrations of non-bridging oxygens (NBOs) and sodium ions at the glass surface. Additionally, we present our results of formation of silanol species and the diffusion of water molecules at the glass surface using ReaxFF.

Nanostructured magnesium has fewer detrimental effects on osteoblast function.

PubMed

Weng, Lucy; Webster, Thomas J

2013-01-01

Efforts have been made recently to implement nanoscale surface features on magnesium, a biodegradable metal, to increase bone formation. Compared with normal magnesium, nanostructured magnesium has unique characteristics, including increased grain boundary properties, surface to volume ratio, surface roughness, and surface energy, which may influence the initial adsorption of proteins known to promote the function of osteoblasts (bone-forming cells). Previous studies have shown that one way to increase nanosurface roughness on magnesium is to soak the metal in NaOH. However, it has not been determined if degradation of magnesium is altered by creating nanoscale features on its surface to influence osteoblast density. The aim of the present in vitro study was to determine the influence of degradation of nanostructured magnesium, created by soaking in NaOH, on osteoblast density. Our results showed a less detrimental effect of magnesium degradation on osteoblast density when magnesium was treated with NaOH to create nanoscale surface features. The detrimental degradation products of magnesium are of significant concern when considering use of magnesium as an orthopedic implant material, and this study identified a surface treatment, ie, soaking in NaOH to create nanoscale features for magnesium that can improve its use in numerous orthopedic applications.

Nanostructured magnesium has fewer detrimental effects on osteoblast function

PubMed Central

Weng, Lucy; Webster, Thomas J

2013-01-01

Efforts have been made recently to implement nanoscale surface features on magnesium, a biodegradable metal, to increase bone formation. Compared with normal magnesium, nanostructured magnesium has unique characteristics, including increased grain boundary properties, surface to volume ratio, surface roughness, and surface energy, which may influence the initial adsorption of proteins known to promote the function of osteoblasts (bone-forming cells). Previous studies have shown that one way to increase nanosurface roughness on magnesium is to soak the metal in NaOH. However, it has not been determined if degradation of magnesium is altered by creating nanoscale features on its surface to influence osteoblast density. The aim of the present in vitro study was to determine the influence of degradation of nanostructured magnesium, created by soaking in NaOH, on osteoblast density. Our results showed a less detrimental effect of magnesium degradation on osteoblast density when magnesium was treated with NaOH to create nanoscale surface features. The detrimental degradation products of magnesium are of significant concern when considering use of magnesium as an orthopedic implant material, and this study identified a surface treatment, ie, soaking in NaOH to create nanoscale features for magnesium that can improve its use in numerous orthopedic applications. PMID:23674891

Fuels planning: science synthesis and integration; environmental consequences fact sheet 14: Fuels reduction and compaction

Treesearch

Deborah Page-Dumroese

2005-01-01

Moving equipment and logs over the surface of forest soils causes gouges and ruts in the mineral soil, displaces organic matter, and can cause compaction. Compaction is the component of soil productivity most influenced by forest management, but the degree to which soils may be compacted depends on initial soil bulk density. For example, low bulk density soils (such as...

Parametric and energy consumption optimization of Basic Red 2 removal by electrocoagulation/egg shell adsorption coupling using response surface methodology in a batch system.

PubMed

de Carvalho, Helder Pereira; Huang, Jiguo; Zhao, Meixia; Liu, Gang; Yang, Xinyu; Dong, Lili; Liu, Xingjuan

2016-01-01

In this study, response surface methodology (RSM) model was applied for optimization of Basic Red 2 (BR2) removal using electrocoagulation/eggshell (ES) coupling process in a batch system. Central composite design was used to evaluate the effects and interactions of process parameters including current density, reaction time, initial pH and ES dosage on the BR2 removal efficiency and energy consumption. The analysis of variance revealed high R(2) values (≥85%) indicating that the predictions of RSM models are adequately applicable for both responses. The optimum conditions when the dye removal efficiency of 93.18% and energy consumption of 0.840 kWh/kg were observed were 11.40 mA/cm(2) current density, 5 min and 3 s reaction time, 6.5 initial pH and 10.91 g/L ES dosage.

EFFECTS OF DUST FEEDBACK ON VORTICES IN PROTOPLANETARY DISKS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fu, Wen; Liang, Edison; Li, Hui

2014-11-10

We carried out two-dimensional, high-resolution simulations to study the effect of dust feedback on the evolution of vortices induced by massive planets in protoplanetary disks. Various initial dust to gas disk surface density ratios (0.001-0.01) and dust particle sizes (Stokes number 4 × 10{sup –4}-0.16) are considered. We found that while dust particles migrate inward, vortices are very effective at collecting them. When dust density becomes comparable to gas density within the vortex, a dynamical instability is excited and it alters the coherent vorticity pattern and destroys the vortex. This dust feedback effect is stronger with a higher initial dust/gasmore » density ratio and larger dust grain. Consequently, we found that the disk vortex lifetime can be reduced up to a factor of 10. We discuss the implications of our findings on the survivability of vortices in protoplanetary disks and planet formation.« less

Orbital evolution and accretion of protoplanets tidally interacting with a gas disk. II. Solid surface density evolution with type-I migration

NASA Astrophysics Data System (ADS)

Daisaka, Junko K.; Tanaka, Hidekazu; Ida, Shigeru

2006-12-01

This paper investigates the surface density evolution of a planetesimal disk due to the effect of type-I migration by carrying out N-body simulation and through analytical method, focusing on terrestrial planet formation. The coagulation and the growth of the planetesimals take place in the abundant gas disk except for a final stage. A protoplanet excites density waves in the gas disk, which causes the torque on the protoplanet. The torque imbalance makes the protoplanet suffer radial migration, which is known as type-I migration. Type-I migration time scale derived by the linear theory may be too short for the terrestrial planets to survive, which is one of the major problems in the planet formation scenario. Although the linear theory assumes a protoplanet being in a gas disk alone, Kominami et al. [Kominami, J., Tanaka, H., Ida, S., 2005. Icarus 167, 231-243] showed that the effect of the interaction with the planetesimal disk and the neighboring protoplanets on type-I migration is negligible. The migration becomes pronounced before the planet's mass reaches the isolation mass, and decreases the solid component in the disk. Runaway protoplanets form again in the planetesimal disk with decreased surface density. In this paper, we present the analytical formulas that describe the evolution of the solid surface density of the disk as a function of gas-to-dust ratio, gas depletion time scale and semimajor axis, which agree well with our results of N-body simulations. In general, significant depletion of solid material is likely to take place in inner regions of disks. This might be responsible for the fact that there is no planet inside Mercury's orbit in our Solar System. Our most important result is that the final surface density of solid components ( Σ) and mass of surviving planets depend on gas surface density ( Σ) and its depletion time scale ( τ) but not on initial Σ; they decrease with increase in Σ and τ. For a fixed gas-to-dust ratio and τ, larger initial Σ results in smaller final Σ and smaller surviving planets, because of larger Σ. To retain a specific amount of Σ, the efficient disk condition is not an initially large Σ but the initial Σ as small as the specified final one and a smaller gas-to-dust ratio. To retain Σ comparable to that of the minimum mass solar nebula (MMSN), a disk must have the same Σ and a gas-to-dust ratio that is smaller than that of MMSN by a factor of 1.3×(τ/1 Myr) at ˜1 AU. (Equivalently, type-I migration speed is slower than that predicted by the linear theory by the same factor.) The surviving planets are Mars-sized ones in this case; in order to form Earth-sized planets, their eccentricities must be pumped up to start orbit crossing and coagulation among them. At ˜5 AU, Σ of MMSN is retained under the same condition, but to form a core massive enough to start runaway gas accretion, a gas-to-dust ratio must be smaller than that of MMSN by a factor of 3×τ/1 Myr.

The detectability of brown dwarfs - Predictions and uncertainties

NASA Technical Reports Server (NTRS)

Nelson, L. A.; Rappaport, S.; Joss, P. C.

1993-01-01

In order to determine the likelihood for the detection of isolated brown dwarfs in ground-based observations as well as in future spaced-based astronomy missions, and in order to evaluate the significance of any detections that might be made, we must first know the expected surface density of brown dwarfs on the celestial sphere as a function of limiting magnitude, wavelength band, and Galactic latitude. It is the purpose of this paper to provide theoretical estimates of this surface density, as well as the range of uncertainty in these estimates resulting from various theoretical uncertainties. We first present theoretical cooling curves for low-mass stars that we have computed with the latest version of our stellar evolution code. We use our evolutionary results to compute theoretical brown-dwarf luminosity functions for a wide range of assumed initial mass functions and stellar birth rate functions. The luminosity functions, in turn, are utilized to compute theoretical surface density functions for brown dwarfs on the celestial sphere. We find, in particular, that for reasonable theoretical assumptions, the currently available upper bounds on the brown-dwarf surface density are consistent with the possibility that brown dwarfs contribute a substantial fraction of the mass of the Galactic disk.

Shrink-wrapped isosurface from cross sectional images

PubMed Central

Choi, Y. K.; Hahn, J. K.

2010-01-01

Summary This paper addresses a new surface reconstruction scheme for approximating the isosurface from a set of tomographic cross sectional images. Differently from the novel Marching Cubes (MC) algorithm, our method does not extract the iso-density surface (isosurface) directly from the voxel data but calculates the iso-density point (isopoint) first. After building a coarse initial mesh approximating the ideal isosurface by the cell-boundary representation, it metamorphoses the mesh into the final isosurface by a relaxation scheme, called shrink-wrapping process. Compared with the MC algorithm, our method is robust and does not make any cracks on surface. Furthermore, since it is possible to utilize lots of additional isopoints during the surface reconstruction process by extending the adjacency definition, theoretically the resulting surface can be better in quality than the MC algorithm. According to experiments, it is proved to be very robust and efficient for isosurface reconstruction from cross sectional images. PMID:20703361

The effect of anatase TiO2 surface structure on the behavior of ethanol adsorption and its initial dissociation step: A DFT study

NASA Astrophysics Data System (ADS)

Zhang, Riguang; Liu, Zhixue; Ling, Lixia; Wang, Baojun

2015-10-01

The perfect and defective surfaces of anatase TiO2 including (1 0 1) and (0 0 1) surfaces have been chosen to probe into the effect of anatase TiO2 surface structure on the behavior of ethanol adsorption and initial dissociation step. Here, the results are obtained by density functional theory (DFT) calculation together with the periodic slab model. Our results show that the surface structure of anatase TiO2 can obviously affect the behavior of ethanol adsorption and the catalytic activity of its initial dissociation step; firstly, on the perfect and defective surfaces of anatase (1 0 1), ethanol dominantly exists in the form of molecule adsorption; however, ethanol is the dissociative adsorption on the hydroxylated anatase (0 0 1), and the coexistences of molecular and dissociation adsorption modes on the perfect anatase (0 0 1). On the other hand, the initial dissociation step of ethanol with molecule adsorption prefers to begin with its O-H bond cleavage leading to CH3CH2O and H species rather than the cleavage of its α-C-H, β-C-H, C-C and C-O bonds, namely, the preferable O-H bond cleavage for the initial dissociation step of ethanol is independent of the surface structure of anatase TiO2; however, the corresponding catalytic activity of ethanol initial dissociation step with the O-H bond cleavage on different anatase TiO2 surfaces is in the following order: hydroxylated (0 0 1) > perfect (0 0 1) > defective (1 0 1) > perfect (1 0 1), suggesting that the catalytic activity for the initial dissociation step of ethanol is sensitive to the surface structure of anatase TiO2, and the hydroxylated (0 0 1) is the most favorable surface. Among these surfaces, the most favorable product for the initial dissociation step of ethanol is CH3CH2O species.

Reactive flow modeling of initial density effect on divergence JB-9014 detonation driving

NASA Astrophysics Data System (ADS)

Yu, Xin; Huang, Kuibang; Zheng, Miao

2016-06-01

A serious of experiments were designed and the results were represented in this paper, in which 2mm thickness cooper shells were impacted by explosives named JB-9014 with different densities, and the surface velocities of the OFHC shells were measured. The comparison of experimental data shows the free surface velocity of the OFHC shell increase with the IHE density. Numerical modeling, which occupied phenomenological reactive flow rate model using the two-dimensional Lagrange hydrodynamic code, were carried out to simulate the above experiments, and empirical adjustments on detonation velocity and pressure and Pier Tang's adjustments on EOS of detonation products were both introduced in our numerical simulation work. The computational results agree well with that of experiments, and the numerical results with original parameters of products and the adjusted ones of JB-9014 could describe the density effect distinctly.

Simultaneous recovery of Ni and Cu from computer-printed circuit boards using bioleaching: statistical evaluation and optimization.

PubMed

Arshadi, M; Mousavi, S M

2014-12-01

Computer printed circuit boards (CPCBs) have a rich metal content and are produced in high volume, making them an important component of electronic waste. The present study used a pure culture of Acidithiobacillus ferrooxidans to leach Cu and Ni from CPCBs waste. The adaptation phase began at 1g/l CPCBs powder with 10% inoculation and final pulp density was reached at 20g/l after about 80d. Four effective factors including initial pH, particle size, pulp density, and initial Fe(3+) concentration were optimized to achieve maximum simultaneous recovery of Cu and Ni. Their interactions were also identified using central composite design in response surface methodology. The suggested optimal conditions were initial pH 3, initial Fe(3+) 8.4g/l, pulp density 20g/l and particle size 95μm. Nearly 100% of Cu and Ni were simultaneously recovered under optimum conditions. Finally, bacterial growth characteristics versus time at optimum conditions were plotted. Copyright © 2014 Elsevier Ltd. All rights reserved.

Consolidation patterns during initiation and evolution of a plate-boundary decollement zone: Northern Barbados accretionary prism

USGS Publications Warehouse

Moore, J.C.; Klaus, A.; Bangs, N.L.; Bekins, B.; Bucker, C.J.; Bruckmann, W.; Erickson, S.N.; Hansen, O.; Horton, T.; Ireland, P.; Major, C.O.; Moore, Gregory F.; Peacock, S.; Saito, S.; Screaton, E.J.; Shimeld, J.W.; Stauffer, P.H.; Taymaz, T.; Teas, P.A.; Tokunaga, T.

1998-01-01

Borehole logs from the northern Barbados accretionary prism show that the plate-boundary decollement initiates in a low-density radiolarian claystone. With continued thrusting, the decollement zone consolidates, but in a patchy manner. The logs calibrate a three-dimensional seismic reflection image of the decollement zone and indicate which portions are of low density and enriched in fluid, and which portions have consolidated. The seismic image demonstrates that an underconsolidated patch of the decollement zone connects to a fluid-rich conduit extending down the decollement surface. Fluid migration up this conduit probably supports the open pore structure in the underconsolidated patch.

Effect of morphology and defect density on electron transfer of electrochemically reduced graphene oxide

NASA Astrophysics Data System (ADS)

Zhang, Yan; Hao, Huilian; Wang, Linlin

2016-12-01

Electrochemically reduced graphene oxide (ERGO) is widely used to construct electrochemical sensors. Understanding the electron transfer behavior of ERGO is essential for its electrode material applications. In this paper, different morphologies of ERGO were prepared via two different methods. Compared to ERGO/GCEs prepared by electrochemical reduction of pre-deposited GO, more exposed edge planes of ERGO are observed on the surface of ERGO-GCE that was constructed by electrophoretic deposition of GO. The defect densities of ERGO were controlled by tuning the mass or concentration of GO. The electron transfer kinetics (k0) of GCE with different ERGOs was comparatively investigated. Owing to increased surface areas and decreased defect density, the k0 values of ERGO/GCE initially increase and then decrease with incrementing of GO mass. When the morphology and surface real areas of ERGO-GCE are the same, an increased defect density induces an accelerated electron transfer rate. k0 valuesof ERGO-GCEs are about 1 order of magnitude higher than those of ERGO/GCEs due to the difference in the amount of edge planes. This work demonstrates that both defect densities and edge planes of ERGO play crucial roles in electron transfer kinetics.

Fabrication of an SPR Sensor Surface with Antifouling Properties for Highly Sensitive Detection of 2,4,6-Trinitrotoluene Using Surface-Initiated Atom Transfer Polymerization

PubMed Central

Yatabe, Rui; Onodera, Takeshi; Toko, Kiyoshi

2013-01-01

In this study, we modified a surface plasmon resonance immunosensor chip with a polymer using surface-initiated atom transfer polymerization (SI-ATRP) for the highly sensitive detection of 2,4,6-trinitrotoluene (TNT). To immobilize a TNT analogue on the polymer, mono-2-(methacryloyloxy)ethylsuccinate (MES), which has a carboxyl group, was used in this study. However, the anti-TNT antibody may adsorb non-specifically on the polymer surface by an electrostatic interaction because MES is negatively charged. Therefore, a mixed monomer with MES and diethylaminoethylmethacrylate (DEAEM), which has a tertiary amino group and is positively charged, was prepared to obtain electroneutrality for suppressing the nonspecific adsorption. The detection of TNT was performed by inhibition assay using the polymer surface. To ensure high sensitivity to TNT, the affinity between the surface and the antibody was optimized by controlling the density of the initiator for ATRP by mixing two types of self-assembled monolayer reagents. As a result, a limit of detection of 5.7 pg/mL (ppt) for TNT was achieved using the optimized surface. PMID:23877126

Regulation of Kv2.1 K+ conductance by cell surface channel density

PubMed Central

Fox, Philip D.; Loftus, Rob J.; Tamkun, Michael M.

2013-01-01

The Kv2.1 voltage-gated K+ channel is found both freely diffusing over the plasma membrane and concentrated in micron-sized clusters localized to the soma, proximal dendrites and axon initial segment of hippocampal neurons. In transfected HEK cells, Kv2.1 channels within cluster microdomains are non-conducting. Using TIRF microscopy the number of GFP-tagged Kv2.1 channels on the HEK cell surface was compared to K+ channel conductance measured by whole-cell voltage-clamp of the same cell. This approach indicated that as channel density increases non-clustered channels cease conducting. At the highest density observed, only 4% of all channels were conducting. Mutant Kv2.1 channels that fail to cluster also possessed the non-conducting state with 17% conducting K+ at higher surface densities. The non-conducting state was specific to Kv2.1 as Kv1.4 was always conducting regardless of the cell-surface expression level. Anti-Kv2.1 immuno-fluorescence intensity, standardized to Kv2.1 surface density in transfected HEK cells, was used to determine the expression levels of endogenous Kv2.1 in cultured rat hippocampal neurons. Endogenous Kv2.1 levels were compared to the number of conducting channels determined by whole-cell voltage clamp. Only 13 and 27% of the endogenous Kv2.1 was conducting in neurons cultured for 14 and 20 days, respectively. Together these data indicate that the non-conducting state depends primarily on surface density as opposed to cluster location and that this non-conducting state also exists for native Kv2.1 found in cultured hippocampal neurons. This excess of Kv2.1 protein relative to K+ conductance further supports a non-conducting role for Kv2.1 in excitable tissues. PMID:23325261

Ab initio calculations on the initial stages of GaN and ZnO growth on lattice-matched ScAlMgO4 (0001) substrates

NASA Astrophysics Data System (ADS)

Guo, Yao; Wang, Yanfei; Li, Chengbo; Li, Xianchang; Niu, Yongsheng; Hou, Shaogang

2016-12-01

The initial stages of GaN and ZnO epitaxial growth on lattice-matched ScAlMgO4 substrates have been investigated by ab initio calculation. The geometrical parameters and electronic structure of ScAlMgO4 bulk and (0001) surface have been investigated by density-functional first-principles study. The effects of different surface terminations have been examined through surface energy and relaxation calculations. The O-Mg-O termination is more favorable than other terminations by comparing the calculated surface energies. It should be accepted as the appropriate surface structure in subsequent calculation. The initial stages of GaN and ZnO epitaxial growths are discussed based on the adsorption and diffusion of the adatoms on reconstructed ScAlMgO4 (0001) surface. According to theoretical characterizations, N adatom on the surface is more stable than Ga. O adatom is more favorable than Zn. These observations lead to the formation of GaN and ZnO epilayer and explain experimentally-confirmed in-plane alignment mechanisms of GaN and ZnO on ScAlMgO4 substrates. Furthermore, the polarity of GaN and ZnO surfaces on ScAlMgO4 (0001) at the initial growth stage have been explored by ab initio calculation. Theoretical studies indicate that the predominant growths of Ga-polar GaN and Zn-polar ZnO are determined by the initial growth stage.

A quantitative approach to the topology of large-scale structure. [for galactic clustering computation

NASA Technical Reports Server (NTRS)

Gott, J. Richard, III; Weinberg, David H.; Melott, Adrian L.

1987-01-01

A quantitative measure of the topology of large-scale structure: the genus of density contours in a smoothed density distribution, is described and applied. For random phase (Gaussian) density fields, the mean genus per unit volume exhibits a universal dependence on threshold density, with a normalizing factor that can be calculated from the power spectrum. If large-scale structure formed from the gravitational instability of small-amplitude density fluctuations, the topology observed today on suitable scales should follow the topology in the initial conditions. The technique is illustrated by applying it to simulations of galaxy clustering in a flat universe dominated by cold dark matter. The technique is also applied to a volume-limited sample of the CfA redshift survey and to a model in which galaxies reside on the surfaces of polyhedral 'bubbles'. The topology of the evolved mass distribution and 'biased' galaxy distribution in the cold dark matter models closely matches the topology of the density fluctuations in the initial conditions. The topology of the observational sample is consistent with the random phase, cold dark matter model.

Fiber laser cleaning of metal mirror surfaces for optical diagnostic systems of the ITER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuznetsov, A. P., E-mail: APKuznetsov@mephi.ru; Alexandrova, A. S.; Buzhinsky, O. I.

2015-12-15

The results of experimental studies into efficiency of removal of films with a complex composition from metal mirrors by pulsed fiber laser irradiation are presented. It is shown that the initial reflectivity of optical elements can be restored by the selection of modes of irradiation impacting the surface with the sputtered film. Effective cleaning is performed by radiation with a power density lower than 10{sup 7} W/cm{sup 2}. The removal of contaminations at such a relatively low power density occurs in a solid phase, owing to which the thermal effect on the mirror is insignificant.

High current density electropolishing in the preparation of highly smooth substrate tapes for coated conductors

DOEpatents

Kreiskott, Sascha [Los Alamos, NM; Matias, Vladimir [Santa Fe, NM; Arendt, Paul N [Los Alamos, NM; Foltyn, Stephen R [Los Alamos, NM; Bronisz, Lawrence E [Los Alamos, NM

2009-03-31

A continuous process of forming a highly smooth surface on a metallic tape by passing a metallic tape having an initial roughness through an acid bath contained within a polishing section of an electropolishing unit over a pre-selected period of time, and, passing a mean surface current density of at least 0.18 amperes per square centimeter through the metallic tape during the period of time the metallic tape is in the acid bath whereby the roughness of the metallic tape is reduced. Such a highly smooth metallic tape can serve as a base substrate in subsequent formation of a superconductive coated conductor.

Inhibitory effect of hydrophilic polymer brushes on surface-induced platelet activation and adhesion.

PubMed

Zou, Yuquan; Lai, Benjamin F L; Kizhakkedathu, Jayachandran N; Brooks, Donald E

2010-12-08

Poly(N,N-dimethylacrylamide) (PDMA) brushes are successfully grown from unplasticized poly(vinyl chloride) (uPVC) by well-controlled surface-initiated atom transfer radical polymerization (SI-ATRP). Molecular weights of the grafted PDMA brushes vary from ≈ 35,000 to 2,170000 Da, while the graft density ranges from 0.08 to 1.13 chains · nm(-2). The polydispersity of the grafted PDMA brushes is controlled within 1.20 to 1.80. Platelet activation (expression of CD62) and adhesion studies reveal that the graft densities of the PDMA brushes play an important role in controlling interfacial properties. PDMA brushes with graft densities between 0.35 and 0.50 chains · nm(-2) induce a significantly reduced platelet activation compared to unmodified uPVC. Moreover, the surface adhesion of platelets on uPVC is significantly reduced by the densely grafted PDMA brushes. PDMA brushes that have high molecular weights lead to a relatively lower platelet activation compared to low-molecular-weight brushes. However, the graft density of the brush is more important than molecular weight in controlling platelet interactions with PVC. PDMA brushes do not produce any significant platelet consumption in platelet rich plasma. Up to a seven-fold decrease in the number of platelets adhered on high graft density brushes is observed compared to the bare PVC surface. Unlike the bare PVC, platelets do not form pseudopodes or change morphology on PDMA brush-coated surfaces. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Crystallographic perturbations to valence charge density and hydrogen-surface interactions

NASA Astrophysics Data System (ADS)

Ciston, James W.

The subject of surfaces has been the epicenter of numerous studies in recent years, particularly with respect to applications in catalysis, thin films, and self-assembly of nanostructures where the surface-to-volume ratio is large. Understanding how the atomic structure of materials differs at surfaces where the atoms are far less constrained can yield fundamental insight into these interesting nanoscale phenomena. Quantum surface crystallography takes this one step further in an attempt to experimentally measure the structure of the electrons themselves, which is of greater importance than atomic positions in determining material properties. We report a procedure for obtaining a much better initial parameterization of the charge density than what is possible from a neutral atom model. This procedure involves the parameterization of a bulk charge density model in terms of simple variables such as bond lengths, which can then be transferred to the problem of interest, for instance a surface. Parameterization is accomplished through the fitting of Density Functional Theory calculations of a variety of crystal distortions to a bond-centered pseudoatom (BCPA) model. This parameterized model can then be applied to surfaces or for other problems where an initial higher-order model is needed without the addition of any extra fitted parameters. Through the use of the BCPA model, we report a three-dimensional charge density refinement from x-ray diffraction intensities of the Si (001) 2x1H surface. By properly accounting for the covalent bonding effects in the silicon structure, we were able to stably refine the positions of hydrogen atoms at this surface in three dimensions, which had never before been accomplished for any surface. In addition, we found experimentally an increased, slightly localized bond density of approximately 0.31 electrons between each Si atom pair at the surface. Both the atomic positions and the charge density were found to be in remarkably good agreement with density functional theory (DFT) calculations. The BCPA model was also applied to an experimental refinement of the local charge density at the Si (111) 7x7 surface utilizing a combination of x-ray and high energy electron diffraction. By perturbing about the bond-centered pseudoatom model, we found experimentally that the adatoms were in an anti-bonding state with the atoms directly below. We were also able to experimentally refine a charge transfer of 0.26+/-0.04 e- from each adatom site to the underlying layers. This was the first statistically significant refinement of site-specific bonding information at any surface utilizing x-ray diffraction data. Precession electron diffraction (PED) is a technique which is gaining increasing interest due to its ease of use and reduction of the dynamical scattering problem in electron diffraction. To further investigate the usefulness of this technique, we performed a systematic study of the effect of precession angle on the mineral andalusite where the semiangle was varied from 6.5 to 32 mrad in five discrete steps. We have shown that the intensities of kinematically forbidden reflections decayed exponentially as the precession semiangle (ϕ) was increased. Additionally, we have determined that charge density effects were best observed at moderately low angles (6.5-13 mrad) even though PED patterns became more kinematical in nature as the precession angle was increased further. We have also shown that the amount of interpretable information provided by direct methods phase inversion of the diffraction data increases monotonically but non-systematically as ϕ increases. We report an experimental and theoretical analysis of the ✓3x✓3-R30° and 2x2 reconstructions on the MgO (111) surface combining transmission electron microscopy, x-ray photoelectron spectroscopy, and reasonably accurate density functional calculations using the meta-GGA functional TPSS. We have not only conclusively solved the atomic structures of these reconstructions, but have developed a kinetic model for an evolutionary pathway between structures driven entirely by exchange of water molecules between the surface and the environment that does not require the cations to move when the structure transforms. This is the first time an experimentally and theoretically supported kinetic model has described not only all of the structures in a series on a single oxide surface, but also describes why none of the structures pass through the thermodynamically most stable configuration. Lastly, we have investigated the observability of valence bonding effects in aberration-corrected high resolution electron microscopy (HREM) images along the [010] projection of the mineral Forsterite (Mg2SiO 4). Direct observability of bonding effects would be both faster and less ambiguous than the refinement of similar features against diffraction data. Through analysis of simulated high resolution electron microscopy images, we have determined that bonding effects should be observable at levels approaching 20% of the total contrast. Initial experimental results for this material system have also been presented.

Surface-hopping dynamics and decoherence with quantum equilibrium structure.

PubMed

Grunwald, Robbie; Kim, Hyojoon; Kapral, Raymond

2008-04-28

In open quantum systems, decoherence occurs through interaction of a quantum subsystem with its environment. The computation of expectation values requires a knowledge of the quantum dynamics of operators and sampling from initial states of the density matrix describing the subsystem and bath. We consider situations where the quantum evolution can be approximated by quantum-classical Liouville dynamics and examine the circumstances under which the evolution can be reduced to surface-hopping dynamics, where the evolution consists of trajectory segments exclusively evolving on single adiabatic surfaces, with probabilistic hops between these surfaces. The justification for the reduction depends on the validity of a Markovian approximation on a bath averaged memory kernel that accounts for quantum coherence in the system. We show that such a reduction is often possible when initial sampling is from either the quantum or classical bath initial distributions. If the average is taken only over the quantum dispersion that broadens the classical distribution, then such a reduction is not always possible.

Construction of high-energy-density supercapacitors from pine-cone-derived high-surface-area carbons.

PubMed

Karthikeyan, Kaliyappan; Amaresh, Samuthirapandiyan; Lee, Sol Nip; Sun, Xueliang; Aravindan, Vanchiappan; Lee, Young-Gi; Lee, Yun Sung

2014-05-01

Very high surface area activated carbons (AC) are synthesized from pine cone petals by a chemical activation process and subsequently evaluated as an electrode material for supercapacitor applications in a nonaqueous medium. The maximum specific surface area of ∼3950 m(2)  g(-1) is noted for the material treated with a 1:5 ratio of KOH to pine cone petals (PCC5), which is much higher than that reported for carbonaceous materials derived from various other biomass precursors. A symmetric supercapacitor is fabricated with PCC5 electrodes, and the results showed enhanced supercapacitive behavior with the highest energy density of ∼61 Wh kg(-1). Furthermore, outstanding cycling ability is evidenced for such a configuration, and ∼90 % of the initial specific capacitance after 20,000 cycles under harsh conditions was observed. This result revealed that the pine-cone-derived high-surface-area AC can be used effectively as a promising electrode material to construct high-energy-density supercapacitors. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Laser-induced Hertzian fractures in silica initiated by metal micro-particles on the exit surface

DOE PAGES

Feigenbaum, Eyal; Raman, Rajesh N.; Cross, David; ...

2016-05-16

Laser-induced Hertzian fractures on the exit surface of silica glass are found to result from metal surface-bound micro particles. Two types of metal micro-spheres are studied (stainless-steel and Al) using ultraviolet laser light. The fracture initiation probability curve as a function of fluence is obtained, resulting in an initiation threshold fluence of 11.1 ± 4.7 J/cm 2 and 16.5 ± 4.5 J/cm 2 for the SS and Al particles, accordingly. The modified damage density curve is calculated based on the fracture probability. Here, the calculated momentum coupling coefficient linking incident laser fluence to the resulting plasma pressure is found tomore » be similar for both particles: 32.6 ± 15.4 KN/J and 28.1 ± 10.4 KN/J for the SS and Al cases accordingly.« less

Using dual-polarization interferometry to study surface-initiated DNA hybridization chain reactions in real time.

PubMed

Huang, Fujian; Xu, Pingping; Liang, Haojun

2014-01-15

In this study we used dual-polarization interferometry to investigate DNA hybridization chain reactions (HCRs) at solid-liquid interfaces. We monitored the effects of variations in mass, thickness, and density of the immobilized initiator on the subsequent HCRs at various salt concentrations. At low salt concentrations, the single-stranded DNA (ssDNA) initiator was attached uniformly to the chip surface. At high salt concentrations, it lay on the surface at the onset of the immobilization process, but the approaching ssDNA forced the pre-immobilized ssDNA strands to extend into solution as a result of increased electrostatic repulsion between the pre-adsorbed and approaching ssDNA chains. Injection of a mixture of H1 and H2 increased the mass and thickness of the films initially, but thereafter the thickness decreased. These changes indicate that the long double-stranded DNA that formed lay on the surface, rather than extended into the solution, thereby suppressing the subsequent initiation activity of the released single-strand parts of H1 and H2. Increasing the salt concentration increased the HCR efficiency and reaction rate. The HCR efficiency of the initiator ssDNA immobilized on its 5' end was higher than that immobilized on its 3' end, suggesting that the released single-strand parts of H1 and H2 close to the chip surface decreased the initiation activity relative to those of the ones extending into solution. © 2013 Elsevier B.V. All rights reserved.

The dynamics of superclusters - Initial determination of the mass density of the universe at large scales

NASA Technical Reports Server (NTRS)

Ford, H. C.; Ciardullo, R.; Harms, R. J.; Bartko, F.

1981-01-01

The radial velocities of cluster members of two rich, large superclusters have been measured in order to probe the supercluster mass densities, and simple evolutionary models have been computed to place limits upon the mass density within each supercluster. These superclusters represent true physical associations of size of about 100 Mpc seen presently at an early stage of evolution. One supercluster is weakly bound, the other probably barely bound, but possibly marginally unbound. Gravity has noticeably slowed the Hubble expansion of both superclusters. Galaxy surface-density counts and the density enhancement of Abell clusters within each supercluster were used to derive the ratio of mass densities of the superclusters to the mean field mass density. The results strongly exclude a closed universe.

Beryllium liner implosion experiments on the Z accelerator in preparation for magnetized liner inertial fusiona)

NASA Astrophysics Data System (ADS)

McBride, R. D.; Martin, M. R.; Lemke, R. W.; Greenly, J. B.; Jennings, C. A.; Rovang, D. C.; Sinars, D. B.; Cuneo, M. E.; Herrmann, M. C.; Slutz, S. A.; Nakhleh, C. W.; Ryutov, D. D.; Davis, J.-P.; Flicker, D. G.; Blue, B. E.; Tomlinson, K.; Schroen, D.; Stamm, R. M.; Smith, G. E.; Moore, J. K.; Rogers, T. J.; Robertson, G. K.; Kamm, R. J.; Smith, I. C.; Savage, M.; Stygar, W. A.; Rochau, G. A.; Jones, M.; Lopez, M. R.; Porter, J. L.; Matzen, M. K.

2013-05-01

Multiple experimental campaigns have been executed to study the implosions of initially solid beryllium (Be) liners (tubes) on the Z pulsed-power accelerator. The implosions were driven by current pulses that rose from 0 to 20 MA in either 100 or 200 ns (200 ns for pulse shaping experiments). These studies were conducted in support of the recently proposed Magnetized Liner Inertial Fusion concept [Slutz et al., Phys. Plasmas 17, 056303 (2010)], as well as for exploring novel equation-of-state measurement techniques. The experiments used thick-walled liners that had an aspect ratio (initial outer radius divided by initial wall thickness) of either 3.2, 4, or 6. From these studies, we present three new primary results. First, we present radiographic images of imploding Be liners, where each liner contained a thin aluminum sleeve for enhancing the contrast and visibility of the liner's inner surface in the images. These images allow us to assess the stability of the liner's inner surface more accurately and more directly than was previously possible. Second, we present radiographic images taken early in the implosion (prior to any motion of the liner's inner surface) of a shockwave propagating radially inward through the liner wall. Radial mass density profiles from these shock compression experiments are contrasted with profiles from experiments where the Z accelerator's pulse shaping capabilities were used to achieve shockless ("quasi-isentropic") liner compression. Third, we present "micro-Ḃ" measurements of azimuthal magnetic field penetration into the initially vacuum-filled interior of a shocked liner. Our measurements and simulations reveal that the penetration commences shortly after the shockwave breaks out from the liner's inner surface. The field then accelerates this low-density "precursor" plasma to the axis of symmetry.

Beryllium liner implosion experiments on the Z accelerator in preparation for magnetized liner inertial fusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

McBride, R. D.; Martin, M. R.; Lemke, R. W.

Multiple experimental campaigns have been executed to study the implosions of initially solid beryllium (Be) liners (tubes) on the Z pulsed-power accelerator. The implosions were driven by current pulses that rose from 0 to 20 MA in either 100 or 200 ns (200 ns for pulse shaping experiments). These studies were conducted in support of the recently proposed Magnetized Liner Inertial Fusion concept [Slutz et al., Phys. Plasmas 17, 056303 (2010)], as well as for exploring novel equation-of-state measurement techniques. The experiments used thick-walled liners that had an aspect ratio (initial outer radius divided by initial wall thickness) of eithermore » 3.2, 4, or 6. From these studies, we present three new primary results. First, we present radiographic images of imploding Be liners, where each liner contained a thin aluminum sleeve for enhancing the contrast and visibility of the liner's inner surface in the images. These images allow us to assess the stability of the liner's inner surface more accurately and more directly than was previously possible. Second, we present radiographic images taken early in the implosion (prior to any motion of the liner's inner surface) of a shockwave propagating radially inward through the liner wall. Radial mass density profiles from these shock compression experiments are contrasted with profiles from experiments where the Z accelerator's pulse shaping capabilities were used to achieve shockless (“quasi-isentropic”) liner compression. Third, we present “micro-B-dot ” measurements of azimuthal magnetic field penetration into the initially vacuum-filled interior of a shocked liner. Our measurements and simulations reveal that the penetration commences shortly after the shockwave breaks out from the liner's inner surface. The field then accelerates this low-density “precursor” plasma to the axis of symmetry.« less

Growth of carbon structured over Pd, Pt and Ni: A comparative DFT study

NASA Astrophysics Data System (ADS)

Quiroga, Matías Abel

2013-03-01

To elucidate the graphene-like structures mechanisms growth over the M(1 1 1) surface (M = Pd, Pt and Ni) we performed ab initio calculus in the frame of density functional theory with the exchange-correlation functional treated according to the Generalized Gradient Approximation (GGA). In order to avoid the problem that represent the complex interaction between the well formed graphene layer and the metallic surface, we recreate the carbon rings formation initial steps, by adding one by one carbon atoms over M(1 1 1) surface. With this strategy, the chemical bonding is always present until the graphene layer is well formed, in which case the GGA neglects van der Waals dispersive forces. We investigate the electronic properties by studying the band structure and the density of states.

Arc initiation in cathodic arc plasma sources

DOEpatents

Anders, Andre

2002-01-01

A "triggerless" arc initiation method and apparatus is based on simply switching the arc supply voltage to the electrodes (anode and cathode). Neither a mechanical trigger electrode nor a high voltage flashover from a trigger electrode is required. A conducting path between the anode and cathode is provided, which allows a hot spot to form at a location where the path connects to the cathode. While the conductive path is eroded by the cathode spot action, plasma deposition ensures the ongoing repair of the conducting path. Arc initiation is achieved by simply applying the relatively low voltage of the arc power supply, e.g. 500 V-1 kV, with the insulator between the anode and cathode coated with a conducting layer and the current at the layer-cathode interface concentrated at one or a few contact points. The local power density at these contact points is sufficient for plasma production and thus arc initiation. A conductive surface layer, such as graphite or the material being deposited, is formed on the surface of the insulator which separates the cathode from the anode. The mechanism of plasma production (and arc initiation) is based on explosive destruction of the layer-cathode interface caused by joule heating. The current flow between the thin insulator coating and cathode occurs at only a few contact points so the current density is high.

Growth of High-Quality GaAs on Ge by Controlling the Thickness and Growth Temperature of Buffer Layer

NASA Astrophysics Data System (ADS)

Zhou, Xu-Liang; Pan, Jiao-Qing; Yu, Hong-Yan; Li, Shi-Yan; Wang, Bao-Jun; Bian, Jing; Wang, Wei

2014-12-01

High-quality GaAs thin films grown on miscut Ge substrates are crucial for GaAs-based devices on silicon. We investigate the effect of different thicknesses and temperatures of GaAs buffer layers on the crystal quality and surface morphology of GaAs on Ge by metal-organic chemical vapor deposition. Through high resolution x-ray diffraction measurements, it is demonstrated that the full width at half maximum for the GaAs epilayer (Ge substrate) peak could achieve 19.3 (11.0) arcsec. The value of etch pit density could be 4×104 cm-2. At the same time, GaAs surfaces with no pyramid-shaped pits are obtained when the buffer layer growth temperature is lower than 360°C, due to effective inhibition of initial nucleation at terraces of the Ge surface. In addition, it is shown that large island formation at the initial stage of epitaxial growth is a significant factor for the final rough surface and that this initial stage should be carefully controlled when a device quality GaAs surface is desired.

Aerobic digestion of starch wastewater in a fluidized bed bioreactor with low density biomass support.

PubMed

Rajasimman, M; Karthikeyan, C

2007-05-08

A solid-liquid-gas, multiphase, fluidized bed bioreactor with low density particles was used in this study to treat the high organic content starch industry wastewater. The characteristics of starch wastewater were studied. It shows high organic content and acidic nature. The performance of a three phase fluidized bed bioreactor with low density biomass support was studied under various average initial substrate concentrations, by varying COD values (2250, 4475, 6730 and 8910 mg/L) and for various hydraulic retention times (8, 16, 24, 32 and 40 h) based on COD removal efficiency. The optimum bed height for the maximum COD reduction was found to be 80 cm. Experiments were carried out in the bioreactor at an optimized bed height, after the formation of biofilm on the surface of low-density particles (density=870 kg/m(3)). Mixed culture obtained from the sludge, taken from starch industry effluent treatment plant, was used as the source for microorganisms. From the results it was observed that increase in initial substrate concentration leads to decrease in COD reduction and COD reduction increases with increase in hydraulic retention time. The optimum COD removal of 93.8% occurs at an initial substrate concentration of 2250 mg/L and for the hydraulic retention time of 24h.

Synthesis and characterization of nanoporous silica aerogel beads using cheap industrial grade sodium silacte precursor

NASA Astrophysics Data System (ADS)

Khan, Tasneem M. A.; Khan, Asiya; Sarawade, Pradip B.

2018-05-01

We report a method to synthesize low-density transparent mesoporous silica aerogel beads by ambient pressure drying (APD). The beads were prepared by acid-base sol-gel polymerization of sodium silicate in via the ball dropping method (BDM). To minimize shrinkage during drying, wet silica beads were initially prepared; their surfaces were then modified using trimethylchlorosilane (TMCS) via simultaneous solvent exchange and surface modification. The specific surface area and cumulative pore volume of the silica aerogel beads increased with an increase in the %V of TMCS. Silica aerogel beads with low packing bed density, high surface area, and large cumulative pore volume was obtained when TMCS was used. Properties of the final product were examined by BET, and TG-DT analyses. The hydrophobic silica aerogel beads were thermally stable up to 350°C. We discuss our results and compare our findings for modified versus unmodified silica beads.

A simple model for remineralization of subsurface lesions in tooth enamel

NASA Astrophysics Data System (ADS)

Christoffersen, J.; Christoffersen, M. R.; Arends, J.

1982-12-01

A model for remineralization of subsurface lesions in tooth enamel is presented. The important assumption on which the model is based is that the rate-controlling process is the crystal surface process by which ions are incorporated in the crystallites; that is, the transport of ions through small holes in the so-called intact surface layer does not influence the rate of mineral uptake at the crystal surface. Further, the density of mineral in the lesion is assumed to increase down the lesion, when the remineralization process is started. It is shown that the dimension of the initial holes in the enamel surface layer must be larger than the dimension of the individual crystallites in order to prevent the formation of arrested lesions. Theoretical expressions for the progress of remineralization are given. The suggested model emphasizes the need for measurements of mineral densities in the lesion, prior to, and during the lesion repair.

Surface-Initiated Polymerization with Poly(n-hexylisocyanate) to Covalently Functionalize Silica Nanoparticles.

PubMed

Vatansever, Fatma; Hamblin, Michael R

2017-02-01

New methods are needed for covalent functionalization of nanoparticles-surface with organic polymer coronas to generate polymeric nanocomposite in a controlled manner. Here we report the use of a surface-initiated polymerization approach, mediated by titanium (IV) catalysis, to grow poly( n -hexylisocyanate) chains from silica surface. Two pathways were used to generate the interfacing in these nano-hybrids. In the first one, the nanoparticles was "seeded" with SiCl4, followed by reaction with 1,6-hexanediol to form hydroxyl groups attached directly to the surface via O-Si-O bonding. In the second pathway, the nanoparticles were initially exposed to a 9:1 mixture of trimethyl silyl chloride and chlorodimethyl octenyl silane which was then followed by hydroboration of the double bonds, to afford hydroxyl groups with a spatially controlled density and surface-attachment via O-Si-C bonding. These functionalized surfaces were then activated with the titanium tetrachloride catalyst. In our approach, thus surface tethered catalyst provided the sites for n -hexyl isocyanate monomer insertion, to "build up" the surface-grown polymer layers from the "bottom-up". A final end-capping, to seal off the chain ends, was done via acetyl chloride. Compounds were characterized by FT-IR, 1H-NMR, GC-MS, GPC, and thermogravimetric analyses.

Surface-Initiated Polymerization with Poly(n-hexylisocyanate) to Covalently Functionalize Silica Nanoparticles

PubMed Central

Vatansever, Fatma; Hamblin, Michael R.

2017-01-01

New methods are needed for covalent functionalization of nanoparticles-surface with organic polymer coronas to generate polymeric nanocomposite in a controlled manner. Here we report the use of a surface-initiated polymerization approach, mediated by titanium (IV) catalysis, to grow poly(n-hexylisocyanate) chains from silica surface. Two pathways were used to generate the interfacing in these nano-hybrids. In the first one, the nanoparticles was “seeded” with SiCl4, followed by reaction with 1,6-hexanediol to form hydroxyl groups attached directly to the surface via O-Si-O bonding. In the second pathway, the nanoparticles were initially exposed to a 9:1 mixture of trimethyl silyl chloride and chlorodimethyl octenyl silane which was then followed by hydroboration of the double bonds, to afford hydroxyl groups with a spatially controlled density and surface-attachment via O-Si-C bonding. These functionalized surfaces were then activated with the titanium tetrachloride catalyst. In our approach, thus surface tethered catalyst provided the sites for n-hexyl isocyanate monomer insertion, to “build up” the surface-grown polymer layers from the “bottom-up”. A final end-capping, to seal off the chain ends, was done via acetyl chloride. Compounds were characterized by FT-IR, 1H-NMR, GC-MS, GPC, and thermogravimetric analyses. PMID:28989336

Reaction paths of alane dissociation on the Si(0 0 1) surface

NASA Astrophysics Data System (ADS)

Smith, Richard; Bowler, David R.

2018-03-01

Building on our earlier study, we examine the kinetic barriers to decomposition of alane, AlH3, on the Si(0 0 1) surface, using the nudged elastic band approach within density functional theory. We find that the initial decomposition to AlH with two H atoms on the surface proceeds without a significant barrier. There are several pathways available to lose the final hydrogen, though these present barriers of up to 1 eV. Incorporation is more challenging, with the initial structures less stable in several cases than the starting structures, just as was found for phosphorus. We identify a stable route for Al incorporation following selective surface hydrogen desorption (e.g. by scanning tunneling microscope tip). The overall process parallels PH3, and indicates that atomically precise acceptor doping should be possible.

Particle size and surface area effects on the thin-pulse shock initiation of Diaminoazoxyfurazan (DAAF)

NASA Astrophysics Data System (ADS)

Burritt, Rosemary; Francois, Elizabeth; Windler, Gary; Chavez, David

2017-06-01

Diaminoazoxyfurazan (DAAF) has many of the safety characteristics of an insensitive high explosive (IHE): it is extremely insensitive to impact and friction and is comparable to triaminotrinitrobezene (TATB) in this way. Conversely, it demonstrates many performance characteristics of a Conventional High Explosive (CHE). DAAF has a small failure diameter of about 1.25 mm and can be sensitive to shock under the right conditions. Large particle sized DAAF will not initiate in a typical exploding foil initiator (EFI) configuration but smaller particle sizes will. Large particle sized DAAF, of 40 μm, was crash precipitated and ball milled into six distinct samples and pressed into pellets with a density of 1.60 g/cc (91% TMD). To investigate the effect of particle size and surface area on the direct initiation on DAAF multiple threshold tests were preformed on each sample of DAAF in different EFI configurations, which varied in flyer thickness and/or bridge size. Comparative tests were performed examining threshold voltage and correlated to Photon Doppler Velocimetry (PDV) results. The samples with larger particle sizes and surface area required more energy to initiate while the smaller particle sizes required less energy and could be initiated with smaller diameter flyers.

In situ detection of porosity initiation during aluminum thin film anodizing

NASA Astrophysics Data System (ADS)

Van Overmeere, Quentin; Nysten, Bernard; Proost, Joris

2009-02-01

High-resolution curvature measurements have been performed in situ during aluminum thin film anodizing in sulfuric acid. A well-defined transition in the rate of internal stress-induced curvature change is shown to allow for the accurate, real-time detection of porosity initiation. The validity of this in situ diagnostic tool was confirmed by a quantitative analysis of the spectral density distributions of the anodized surfaces. These were obtained by analyzing ex situ atomic force microscopy images of surfaces anodized for different times, and allowed to correlate the in situ detected transition in the rate of curvature change with the appearance of porosity.

Explosive Emission and Gap Closure from a Relativistic Electron Beam Diode

DTIC Science & Technology

2013-06-01

relationship, impedance and perveance curves, plasma expansion velocity, and the time-resolved light emission on the surface of the cathode. I...indicating a cathode plasma density ~1017 cm-3 that migrates into the gap at ~50 cm/µs and an anode plasma of lower density ~1012 cm-3 that expands axially... plasma to the gap closure velocity. Initial estimates indicate the closure velocity for this relativistic diode is ~ 10 cm/µs. These measurements

Methodology for extraction of space charge density profiles at nanoscale from Kelvin probe force microscopy measurements.

PubMed

Villeneuve-Faure, C; Boudou, L; Makasheva, K; Teyssedre, G

2017-12-15

To understand the physical phenomena occurring at metal/dielectric interfaces, determination of the charge density profile at nanoscale is crucial. To deal with this issue, charges were injected applying a DC voltage on lateral Al-electrodes embedded in a SiN x thin dielectric layer. The surface potential induced by the injected charges was probed by Kelvin probe force microscopy (KPFM). It was found that the KPFM frequency mode is a better adapted method to probe accurately the charge profile. To extract the charge density profile from the surface potential two numerical approaches based on the solution to Poisson's equation for electrostatics were investigated: the second derivative model method, already reported in the literature, and a new 2D method based on the finite element method (FEM). Results highlight that the FEM is more robust to noise or artifacts in the case of a non-flat initial surface potential. Moreover, according to theoretical study the FEM appears to be a good candidate for determining charge density in dielectric films with thicknesses in the range from 10 nm to 10 μm. By applying this method, the charge density profile was determined at nanoscale, highlighting that the charge cloud remains close to the interface.

Methodology for extraction of space charge density profiles at nanoscale from Kelvin probe force microscopy measurements

NASA Astrophysics Data System (ADS)

Villeneuve-Faure, C.; Boudou, L.; Makasheva, K.; Teyssedre, G.

2017-12-01

To understand the physical phenomena occurring at metal/dielectric interfaces, determination of the charge density profile at nanoscale is crucial. To deal with this issue, charges were injected applying a DC voltage on lateral Al-electrodes embedded in a SiN x thin dielectric layer. The surface potential induced by the injected charges was probed by Kelvin probe force microscopy (KPFM). It was found that the KPFM frequency mode is a better adapted method to probe accurately the charge profile. To extract the charge density profile from the surface potential two numerical approaches based on the solution to Poisson’s equation for electrostatics were investigated: the second derivative model method, already reported in the literature, and a new 2D method based on the finite element method (FEM). Results highlight that the FEM is more robust to noise or artifacts in the case of a non-flat initial surface potential. Moreover, according to theoretical study the FEM appears to be a good candidate for determining charge density in dielectric films with thicknesses in the range from 10 nm to 10 μm. By applying this method, the charge density profile was determined at nanoscale, highlighting that the charge cloud remains close to the interface.

Monitoring the degrafting of polyelectrolyte brushes by using surface gradients

NASA Astrophysics Data System (ADS)

Ko, Yeongun; Genzer, Jan

Polymer brushes comprise densely grafted polymer chains on surfaces, which possess high stability and high concentration of reactive centers per unit area compared to physisorbed polymer film. Polymer brushes are employed in many applications, including anti-fouling surfaces, cell adhesive surfaces, responsive surfaces, low-friction surfaces, etc. Recently, researchers reported that charged (or chargeable) polymer brushes can be degrafted from substrate while incubated in buffer solutions. Based on previous experiments conducted in our group and by others, we assume that chain degrafting results from the hydrolysis of Si-O groups in head-group of the initiator and/or the ester groups in main body of the initiator. The kinetic of hydrolysis is affected by mechanical forces acting on the initiator. Those forces depend on the molecular weight and the grafting density of the brush, and the concentration and distribution of charges along the macromolecule (tuned by pH - for weak electrolytes - and concentration of external salt). In this work, we study the stability of poly(2-dimethylaminoethyl methacrylate) (PDMAEMA) brushes in two solvents (ethanol and water) at various pH values in water and under different levels of external salt concentration. National Science Foundation.

Local control theory using trajectory surface hopping and linear-response time-dependent density functional theory.

PubMed

Curchod, Basile F E; Penfold, Thomas J; Rothlisberger, Ursula; Tavernelli, Ivano

2013-01-01

The implementation of local control theory using nonadiabatic molecular dynamics within the framework of linear-response time-dependent density functional theory is discussed. The method is applied to study the photoexcitation of lithium fluoride, for which we demonstrate that this approach can efficiently generate a pulse, on-the-fly, able to control the population transfer between two selected electronic states. Analysis of the computed control pulse yields insights into the photophysics of the process identifying the relevant frequencies associated to the curvature of the initial and final state potential energy curves and their energy differences. The limitations inherent to the use of the trajectory surface hopping approach are also discussed.

Applying terahertz technology for nondestructive detection of crack initiation in a film-coated layer on a swelling tablet

PubMed Central

Momose, Wataru; Yoshino, Hiroyuki; Katakawa, Yoshifumi; Yamashita, Kazunari; Imai, Keiji; Sako, Kazuhiro; Kato, Eiji; Irisawa, Akiyoshi; Yonemochi, Etsuo; Terada, Katsuhide

2012-01-01

Here, we describe a nondestructive approach using terahertz wave to detect crack initiation in a film-coated layer on a drug tablet. During scale-up and scale-down of the film coating process, differences in film density and gaps between the film-coated layer and the uncoated tablet were generated due to differences in film coating process parameters, such as the tablet-filling rate in the coating machine, spray pressure, and gas–liquid ratio etc. Tablets using the PEO/PEG formulation were employed as uncoated tablets. We found that heat and humidity caused tablets to swell, thereby breaking the film-coated layer. Using our novel approach with terahertz wave nondestructively detect film surface density (FSD) and interface density differences (IDDs) between the film-coated layer and an uncoated tablet. We also found that a reduced FSD and IDD between the film-coated layer and uncoated tablet increased the risk of crack initiation in the film-coated layer, thereby enabling us to nondestructively predict initiation of cracks in the film-coated layer. Using this method, crack initiation can be nondestructively assessed in swelling tablets after the film coating process without conducting accelerated stability tests, and film coating process parameters during scale-up and scale-down studies can be appropriately established. PMID:25755992

A hydroxyapatite coating covalently linked onto a silicone implant material.

PubMed

Furuzono, T; Sonoda, K; Tanaka, J

2001-07-01

A novel composite consisting of hydroxyapatite (HAp) microparticles covalently coupled onto a silicone sheet was developed. Initially, an acrylic acid (AAc) -grafted silicone sheet with a 16.7 microg/cm(2) surface graft density was prepared by corona-discharge treatment. The surface of sintered, spherical, carbonated HAp particles with an average diameter of 2.0 microm was subsequently modified with amino groups. The amino group surface density of the HAp particles was calculated to be approximately one amino molecule per 1.0 nm(2) of particle surface area. These samples were characterized with Fourier transform infrared spectrometry and X-ray photoelectron spectroscopy. After the formation of ammonium ionic bonds between both samples under aqueous conditions, they were reacted at 180 degrees C for 6 h in vacuo to form covalent bonds through a solid-phase condensation. The HAp particles were coupled to the AAc-grafted silicone surface by a covalent linkage. Further improvements in the adhesive and bioactive properties of the HAp-coated silicone material are expected.

Influence of Substrate Bonding and Surface Morphology on Dynamic Organic Layer Growth: Perylenetetracarboxylic Dianhydride on Au(111).

PubMed

Schmidt, Thomas; Marchetto, Helder; Groh, Ullrich; Fink, Rainer H; Freund, Hans-Joachim; Umbach, Eberhard

2018-05-15

We investigated the dynamics of the initial growth of the first epitaxial layers of perylenetetracarboxylic dianhydride (PTCDA) on the Au(111) surface with high lateral resolution using the aberration-corrected spectro-microscope SMART. With this instrument, we could simultaneously study the different adsorption behaviors and layer growth on various surface areas consisting of either a distribution of flat (111) terraces, separated by single atomic steps ("ideal surface"), or on areas with a high density of step bunches and defects ("realistic surface"). The combined use of photoemission electron microscopy, low-energy electron microscopy, and μ-spot X-ray absorption provided a wealth of new information, showing that the growth of the archetype molecule PTCDA not only has similarities but also has significant differences when comparing Au(111) and Ag(111) substrate surfaces. For instance, under otherwise identical preparation conditions, we observed different growth mechanisms on different surface regions, depending on the density of step bunches. In addition, we studied the spatially resolved desorption behavior which also depends on the substrate morphology.

Influence of the Surface Functional Group Density on the Carbon-Nanotube-Induced α-Chymotrypsin Structure and Activity Alterations.

PubMed

Zhao, Xingchen; Hao, Fang; Lu, Dawei; Liu, Wei; Zhou, Qunfang; Jiang, Guibin

2015-08-26

Because of the special properties of carbon nanotubes (CNTs), their applications have been introduced to many fields. The biosafety of these emerging materials is of high concern concomitantly. Because CNTs may initially bind with proteins in biofluids before they exert biological effects, it is of great importance to understand how the target proteins interact with these exogenous nanomaterials. Here we investigated the interaction between α-chymotrypsin (α-ChT) and carboxylized multiwalled CNTs in a simulated biophysical environment utilizing the techniques of fluorescence, UV-vis, circular dichroism spectroscopy, ζ potential, atomic force microscopy, and bicinchoninic acid analysis. It was demonstrated that CNTs interacted with α-ChT through electrostatic forces, causing a decrement in the α-helix and an increment in the β-sheet content of the protein. The protein fluorescence was quenched in a static mode. The increase in the surface modification density of CNTs enhanced the protein absorption and decreased the enzymatic activity correspondingly. α-ChT activity inhibition induced by CNTs with low surface modification density exhibited noncompetitive characteristics; however, a competitive feature was observed when CNTs with high surface modification density interacted with the protein. An increase of the ionic strength in the reaction buffer may help to reduce the interaction between CNTs and α-ChT because the high ionic strength may favor the release of the protein from binding on a CNT surface modified with functional groups. Accordingly, the functionalization density on the CNT surface plays an important role in the regulation of their biological effects and is worthy of concern when new modified CNTs are developed.

The destabilization of an initially thick liquid sheet edge

NASA Astrophysics Data System (ADS)

Lhuissier, Henri; Villermaux, Emmanuel

2011-09-01

By forcing the sudden dewetting of a free soap film attached on one edge to a straight solid wire, we study the recession and subsequent destabilization of its free edge. The newly formed rim bordering the sheet is initially thicker than the film to which it is attached, because of the Plateau border preexisting on the wire. The initial condition is thus that of an immobile massive toroidal rim connected to a thin liquid film of thickness h. The terminal Taylor-Culick receding velocity V =√2σ/ρh , where σ and ρ are the liquid surface tension and density, respectively, is only reached after a transient acceleration period which promotes the rim destabilization. The selected wavelength and associated growth time coincide with those of an inertial instability driven by surface tension.

Spectroscopic infrared extinction mapping as a probe of grain growth in IRDCs

NASA Astrophysics Data System (ADS)

Lim, Wanggi; Carey, Sean J.

2014-07-01

We present photometric and spectroscopic tests of MIR to FIR extinction laws toward IRDC G028.36+00.07, a potential site of massive star formation. Lim & Tan (2014, hereafter LT14) developed methods of FIR extinction mapping of this source using Spitzer-MIPS 24 micron and Herschel-PACS 70 micron images, and extending the MIR 8 micron mapping methods of (Butler & Tan 2012, hereafter BT12), finding evidence for grain growth in the highest mass surface density regions. Here we present initial results of spectroscopic infrared extinction (SIREX) mapping using Spitzer-IRS (14 to 38 micron) data of the same IRDC. These methods allow us to measure the SED of the diffuse Galactic ISM, which we compare to theoretical models of Draine & Li (2007), as well as to search for opacity law variations with mass surface density within the IRDC. By comparison with theoretical dust models, e.g., Ossenkopf & Henning (1994) and Ormel et al. (2011), we are able to search for compositional signatures of the grain ices, such as water and methanol. We find evidence for generally flatter MIR to FIR extinction laws as mass surface density increases, strengthening the evidence for grain and ice mantle growth in higher density regions.

Subduction Initiation under Unfavorable Conditions and New Fault Formation

NASA Astrophysics Data System (ADS)

Mao, X.; Gurnis, M.; May, D.

2017-12-01

How subduction initiates with unfavorable dipping lithospheric heterogeneities is an important and rarely studied topic. We build a geodynamic model starting with a vertical weak zone for the Puysegur incipient subduction zone (PISZ). A true free surface is tracked in pTatin3D, based on the Arbitrary Lagrangian Eulerian (ALE) finite element method, and is used to follow the dynamic mantle-surface interaction and topographic evolution. A simplified surface process, based on linear topography diffusion, is implemented. Density and free water content for different phase assemblages are gained by referring to precalculated 4D (temperature, pressure, rock type and total water content) phase maps using Perplex. Darcy's law is used to migrate free water, and a linear water weakening is applied to the mantle material. A new visco-elastic formulation called Elastic Viscous Stress Splitting (EVSS) method is also included. Our predictions fit the morphology of the Puysegur Trench and Ridge and the deformation history on the overriding plate. We show a new thrust fault forms and evolves into a smooth subduction interface, and the preexisting weak zone becomes a vertical fault inboard of the thrust fault during subduction initiation, which explains the two-fault system at PISZ. Our model suggests that the PISZ may not yet be self-sustaining. We propose that the Snares Trough is caused by plate coupling differences between shallower and deeper parts, the tectonic sliver between two faults experiences strong rotation, and low density materials accumulate beneath the Snares trough. Extended models show that with favorable dipping heterogeneities, no new fault forms, and subduction initiates with smaller resisting forces.

FORGE Newberry 3D Gravity Density Model for Newberry Volcano

DOE Data Explorer

Alain Bonneville

2016-03-11

These data are Pacific Northwest National Lab inversions of an amalgamation of two surface gravity datasets: Davenport-Newberry gravity collected prior to 2012 stimulations and Zonge International gravity collected for the project "Novel use of 4D Monitoring Techniques to Improve Reservoir Longevity and Productivity in Enhanced Geothermal Systems" in 2012. Inversions of surface gravity recover a 3D distribution of density contrast from which intrusive igneous bodies are identified. The data indicate a body name, body type, point type, UTM X and Y coordinates, Z data is specified as meters below sea level (negative values then indicate elevations above sea level), thickness of the body in meters, suscept, density anomaly in g/cc, background density in g/cc, and density in g/cc. The model was created using a commercial gravity inversion software called ModelVision 12.0 (http://www.tensor-research.com.au/Geophysical-Products/ModelVision). The initial model is based on the seismic tomography interpretation (Beachly et al., 2012). All the gravity data used to constrain this model are on the GDR: https://gdr.openei.org/submissions/760.

Materials properties and dislocation dynamics in InAsP compositionally graded buffers on InP substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jandl, Adam, E-mail: jandl@mit.edu; Bulsara, Mayank T.; Fitzgerald, Eugene A.

The properties of InAs{sub x}P{sub 1−x} compositionally graded buffers grown by metal organic chemical vapor deposition are investigated. We report the effects of strain gradient (ε/thickness), growth temperature, and strain initiation sequence (gradual or abrupt strain introduction) on threading dislocation density, surface roughness, epi-layer relaxation, and tilt. We find that gradual introduction of strain causes increased dislocation densities (>10{sup 6}/cm{sup 2}) and tilt of the epi-layer (>0.1°). A method of abrupt strain initiation is proposed which can result in dislocation densities as low as 1.01 × 10{sup 5} cm{sup −2} for films graded from the InP lattice constant to InAs{sub 0.15}P{sub 0.85}.more » A model for a two-energy level dislocation nucleation system is proposed based on our results.« less

Keratocyte density 3 months, 15 months, and 3 years after corneal surface ablation with mitomycin C.

PubMed

de Benito-Llopis, Laura; Cañadas, Pilar; Drake, Pilar; Hernández-Verdejo, José Luis; Teus, Miguel A

2012-01-01

To study the effects of surface ablation with mitomycin C (MMC) on keratocyte population. Prospective, nonrandomized, interventional, comparative case series. Thirty two eyes treated with surface ablation with 0.02% MMC were compared with nontreated eyes at Vissum Santa Hortensia, Madrid, Spain. Keratocyte density was measured with the Heidelberg Retina Tomograph II (Rostock Cornea Module) 3, 15, and 36 to 42 months after the surgery in the anterior, mid, and posterior stroma, and compared with control eyes. Three months postoperatively, we found a lower stromal bed density compared to controls (16 993 ± 8001 vs 29 660 ± 5904 cells/mm(3), P = .0001), while there was a significantly higher cell density in the mid (30 783 ± 9300 vs 18 505 ± 1996 cells/mm(3), P = .0001) and deep stroma (30 268 ± 8321 vs 18 438 ± 2139 cells/mm(3), P = .0001). Three years after the surgery, the cellularity in the stromal bed had not significantly changed from the 3-month follow-up, but the density in the mid (18 889 ± 3474 cells/mm(3)) and posterior stroma (18 992 ± 3402 cells/mm(3)) had decreased to show no difference from controls. The mean cell density between the anterior, mid, and posterior stroma was not significantly different from controls 15 months and 3 years after the surgery. Our study suggests that there is a reorganization of the stromal cell population soon after surface ablation with MMC, with a decrease in the stromal bed compensated initially with an increase in the mid and posterior stroma. Corneal cellularity tends to normalize over time, and 3 years postoperatively the mean cell density throughout the cornea seems to maintain normal values. Copyright © 2012 Elsevier Inc. All rights reserved.

New England salt marsh pools: A quantitative analysis of geomorphic and geographic features

USGS Publications Warehouse

Adamowicz, S.C.; Roman, C.T.

2005-01-01

New England salt marsh pools provide important wildlife habitat and are the object of on-going salt marsh restoration projects; however, they have not been quantified in terms of their basic geomorphic and geographic traits. An examination of 32 ditched and unditched salt marshes from the Connecticut shore of Long Island Sound to southern Maine, USA, revealed that pools from ditched and unditched marshes had similar average sizes of about 200 m2, averaged 29 cm in depth, and were located about 11 m from the nearest tidal flow. Unditched marshes had 3 times the density (13 pools/ha), 2.5 times the pool coverage (83 m pool/km transect), and 4 times the total pool surface area per hectare (913 m2 pool/ha salt marsh) of ditched sites. Linear regression analysis demonstrated that an increasing density of ditches (m ditch/ha salt marsh) was negatively correlated with pool density and total pool surface area per hectare. Creek density was positively correlated with these variables. Thus, it was not the mere presence of drainage channels that were associated with low numbers of pools, but their type (ditch versus creek) and abundance. Tidal range was not correlated with pool density or total pool surface area, while marsh latitude had only a weak relationship to total pool surface area per hectare. Pools should be incorporated into salt marsh restoration planning, and the parameters quantified here may be used as initial design targets.

Tripodal penta(p-phenylene) for the biofunctionalization of alkynyl-modified silicon surfaces

NASA Astrophysics Data System (ADS)

Sánchez-Molina, María; Díaz, Amelia; Valpuesta, María; Contreras-Cáceres, Rafael; López-Romero, J. Manuel; López-Ramírez, M. Rosa

2018-07-01

Here we report the optimization on the covalent grafting methodology of a tripod-shaped penta(p-phenylene), 1, on alkynyl-terminated silicon surfaces, and the incorporation of an active theophylline derivative, 2, for the specific immobilization of proteins. The tripodal molecule presents azide-terminal groups to be attached onto a silicon surface containing an alkynyl monolayer. Initially, compound 1 has been covalently incorporated on alkynyl-terminated Si wafers, by the copper catalyzed alkyne-azide 1,3-dipolar cycloaddition (CuAAC, a click reaction). The tripod density on the silicon surface is tuned by performing the CuAAC reaction at different concentrations of 1, as well as under different experimental conditions (T, base, copper source, shaking). Then, tripod 1-modified surface has also been biofunctionalized with 2. The effective preparation of this silicon-modified surface allowed us to study the streptavidin immobilization on the surface. Characterization of the different surfaces has been carried out by X-ray Photoelectron Spectroscopy (XPS), Atomic Force Microscopy (AFM) and Bright-Field Optical Transmission Microscopy (Confocal) techniques. We also include density functional theory (DFT) analysis of the organic structures to confirm the height-profile and the tripod-surface relative configuration extracted from AFM images.

In situ REM and ex situ SPM studies of silicon (111) surface

NASA Astrophysics Data System (ADS)

Aseev, A. L.; Kosolobov, S. S.; Latyshev, A. V.; Song, Se Ahn; Saranin, A. A.; Zotov, A. V.; Lifshits, V. G.

2005-09-01

Combination of experimental methods, including ultrahigh vacuum in situ reflection electron microscopy, scanning tunnelling microscopy and atomic force microscopy, has been applied for analysis of surface structure and dynamic processes on silicon (111) surfaces during sublimation, rapid temperature cooling, oxygen reactions and metal-silicon surface phase formation. From analysis of triangular negative islands, 0.08 nm in depth, which were forming during quenching, it was deduced the effective activation energy of the island generation is equalled to 0.35 eV and made conclusion that the (1 × 1) (7 × 7) phase transition on Si(111) assumes to be responsible for the negative island nucleation. On the base of the in situ REM study, the dependence of step motion, initiated by surface vacancies generation during oxygen-silicon interaction, on the terrace width was measured. Peculiarities of the initial stages of silicon surface oxidation at low pressures were considered. From precision measurements, the top silicon atom density was determined for the metal-silicon surface phase formed during Na, Ca, Mg and Ag deposition on clean silicon (111) surface.

Influence of anomalous temperature dependence of water density on convection at lateral heating

NASA Astrophysics Data System (ADS)

Bukreev, V. I.; Gusev, A. V.

2012-12-01

The article provides results of experimental investigation of a fresh water motion in a flume with limited dimensions at lateral heating. The initial water temperature in the flume ranged from 0 to 22 °C. It is shown that there are qualitative changes of the motion picture in the vicinity of initial temperature in the flume equal to the one at which water has maximal density (approximately 4 °C). At an initial temperature in the flume exceeding or equal to 4 °C, the heated water propagates in the form of a relatively thin surface jet, and at jet reflection from the flume end walls the heated water is accumulated only in the upper layer. When the initial temperature in the flume is below 4 °C the convective instability develops. A part of the heated water sinks to the bottom. The paper provides respective illustrations and quantitative data on the distribution of temperature and velocity.

Density of founder cells affects spatial pattern formation and cooperation in Bacillus subtilis biofilms

PubMed Central

van Gestel, Jordi; Weissing, Franz J; Kuipers, Oscar P; Kovács, Ákos T

2014-01-01

In nature, most bacteria live in surface-attached sedentary communities known as biofilms. Biofilms are often studied with respect to bacterial interactions. Many cells inhabiting biofilms are assumed to express ‘cooperative traits', like the secretion of extracellular polysaccharides (EPS). These traits can enhance biofilm-related properties, such as stress resilience or colony expansion, while being costly to the cells that express them. In well-mixed populations cooperation is difficult to achieve, because non-cooperative individuals can reap the benefits of cooperation without having to pay the costs. The physical process of biofilm growth can, however, result in the spatial segregation of cooperative from non-cooperative individuals. This segregation can prevent non-cooperative cells from exploiting cooperative neighbors. Here we examine the interaction between spatial pattern formation and cooperation in Bacillus subtilis biofilms. We show, experimentally and by mathematical modeling, that the density of cells at the onset of biofilm growth affects pattern formation during biofilm growth. At low initial cell densities, co-cultured strains strongly segregate in space, whereas spatial segregation does not occur at high initial cell densities. As a consequence, EPS-producing cells have a competitive advantage over non-cooperative mutants when biofilms are initiated at a low density of founder cells, whereas EPS-deficient cells have an advantage at high cell densities. These results underline the importance of spatial pattern formation for competition among bacterial strains and the evolution of microbial cooperation. PMID:24694715

Density of founder cells affects spatial pattern formation and cooperation in Bacillus subtilis biofilms.

PubMed

van Gestel, Jordi; Weissing, Franz J; Kuipers, Oscar P; Kovács, Akos T

2014-10-01

In nature, most bacteria live in surface-attached sedentary communities known as biofilms. Biofilms are often studied with respect to bacterial interactions. Many cells inhabiting biofilms are assumed to express 'cooperative traits', like the secretion of extracellular polysaccharides (EPS). These traits can enhance biofilm-related properties, such as stress resilience or colony expansion, while being costly to the cells that express them. In well-mixed populations cooperation is difficult to achieve, because non-cooperative individuals can reap the benefits of cooperation without having to pay the costs. The physical process of biofilm growth can, however, result in the spatial segregation of cooperative from non-cooperative individuals. This segregation can prevent non-cooperative cells from exploiting cooperative neighbors. Here we examine the interaction between spatial pattern formation and cooperation in Bacillus subtilis biofilms. We show, experimentally and by mathematical modeling, that the density of cells at the onset of biofilm growth affects pattern formation during biofilm growth. At low initial cell densities, co-cultured strains strongly segregate in space, whereas spatial segregation does not occur at high initial cell densities. As a consequence, EPS-producing cells have a competitive advantage over non-cooperative mutants when biofilms are initiated at a low density of founder cells, whereas EPS-deficient cells have an advantage at high cell densities. These results underline the importance of spatial pattern formation for competition among bacterial strains and the evolution of microbial cooperation.

40 CFR 63.3951 - How do I demonstrate initial compliance with the emission limitations?

Code of Federal Regulations, 2011 CFR

2011-07-01

... PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS FOR SOURCE CATEGORIES National Emission Standards for Hazardous Air Pollutants for Surface Coating..., “Standard Test Method for Density of Liquid Coatings, Inks, and Related Products” (incorporated by reference...

Effect of Various Material Properties on the Adhesive Stage of Fretting

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1974-01-01

Various properties of metals and alloys were studied with respect to their effect on the initial stage of the fretting process, namely adhesion. Crystallographic orientation, crystal structure, interfacial binding energies of dissimiliar metal, segregation of alloy constituents and the nature and structure of surface films were found to influence adhesion. High atomic density, low surface energy grain orientations exhibited lower adhesion than other orientations. Knowledge of interfacial surface binding energies assists in predicting adhesive transfer and wear. Selective surface segregation of alloy constituents accomplishes both a reduction in adhesion and improved surface oxidation characteristics. Equivalent surface coverages of various adsorbed species indicate that some are markedly more effective in inhibiting adhesion than others.

The atomic nature of polymer-metal interactions in adhesion, friction and wear

NASA Technical Reports Server (NTRS)

Buckley, D. H.; Brainard, W. A.

1973-01-01

Adhesion experiments with polytetra-fluoroethylene (PTFE) and polyimide contacting tungsten indicate that the polymers bond chemically to the clean metal surface. Polymer chain fragments which transfer to the surface of tungsten in field ion microscopy adhesion studies are highly oriented. Auger emission spectroscopy of PTFE transfer films to various metal surfaces indicates that the PTFE is bonded to the metal surface via the carbon atom. With PTFE in sliding contact with different orientations of aluminum, metal orientation is found to influence surfaces in sliding. The lowest friction and least amount of surface damage is detected on the highest atomic density (111) plane. The friction process itself can initiate polymer film formation from simple organic molecules.

High-voltage electrode optimization towards uniform surface treatment by a pulsed volume discharge

NASA Astrophysics Data System (ADS)

Ponomarev, A. V.; Pedos, M. S.; Scherbinin, S. V.; Mamontov, Y. I.; Ponomarev, S. V.

2015-11-01

In this study, the shape and material of the high-voltage electrode of an atmospheric pressure plasma generation system were optimised. The research was performed with the goal of achieving maximum uniformity of plasma treatment of the surface of the low-voltage electrode with a diameter of 100 mm. In order to generate low-temperature plasma with the volume of roughly 1 cubic decimetre, a pulsed volume discharge was used initiated with a corona discharge. The uniformity of the plasma in the region of the low-voltage electrode was assessed using a system for measuring the distribution of discharge current density. The system's low-voltage electrode - collector - was a disc of 100 mm in diameter, the conducting surface of which was divided into 64 radially located segments of equal surface area. The current at each segment was registered by a high-speed measuring system controlled by an ARM™-based 32-bit microcontroller. To facilitate the interpretation of results obtained, a computer program was developed to visualise the results. The program provides a 3D image of the current density distribution on the surface of the low-voltage electrode. Based on the results obtained an optimum shape for a high-voltage electrode was determined. Uniformity of the distribution of discharge current density in relation to distance between electrodes was studied. It was proven that the level of non-uniformity of current density distribution depends on the size of the gap between electrodes. Experiments indicated that it is advantageous to use graphite felt VGN-6 (Russian abbreviation) as the material of the high-voltage electrode's emitting surface.

Enabling Highly Effective Boiling from Superhydrophobic Surfaces

NASA Astrophysics Data System (ADS)

Allred, Taylor P.; Weibel, Justin A.; Garimella, Suresh V.

2018-04-01

A variety of industrial applications such as power generation, water distillation, and high-density cooling rely on heat transfer processes involving boiling. Enhancements to the boiling process can improve the energy efficiency and performance across multiple industries. Highly wetting textured surfaces have shown promise in boiling applications since capillary wicking increases the maximum heat flux that can be dissipated. Conversely, highly nonwetting textured (superhydrophobic) surfaces have been largely dismissed for these applications as they have been shown to promote formation of an insulating vapor film that greatly diminishes heat transfer efficiency. The current Letter shows that boiling from a superhydrophobic surface in an initial Wenzel state, in which the surface texture is infiltrated with liquid, results in remarkably low surface superheat with nucleate boiling sustained up to a critical heat flux typical of hydrophilic wetting surfaces, and thus upends this conventional wisdom. Two distinct boiling behaviors are demonstrated on both micro- and nanostructured superhydrophobic surfaces based on the initial wetting state. For an initial surface condition in which vapor occupies the interstices of the surface texture (Cassie-Baxter state), premature film boiling occurs, as has been commonly observed in the literature. However, if the surface texture is infiltrated with liquid (Wenzel state) prior to boiling, drastically improved thermal performance is observed; in this wetting state, the three-phase contact line is pinned during vapor bubble growth, which prevents the development of a vapor film over the surface and maintains efficient nucleate boiling behavior.

Design of UV-absorbing PVDF membrane via surface-initiated AGET ATRP

NASA Astrophysics Data System (ADS)

Dong, Li; Liu, Xiangdong; Xiong, Zhengrong; Sheng, Dekun; Zhou, Yan; Lin, Changhong; Yang, Yuming

2018-03-01

Herein, PVDF membranes with excellent UV-absorbing property were first synthesized through grafting the polymerizable low-molecular-weight organic UV-absorber 2-hydroxy-4-(3-methacryloxy-2-hydroxylpropoxy) benzophenone (BPMA) onto α-bromoester-functionalized PVDF membranes via the surface-initiated activator generated by electron transfer atom transfer radical polymerization (SI-AGET ATRP). The surface initiators were immobilized by the reaction between 2-bromoisobutyryl bromide (BIBB) and the hydroxylated PVDF membranes. PVDF-g-PBPMA membranes with different grafting densities were obtained by tuning the polymerization time and the modified membranes were characterized by 1H-NMR, FT-IR, XPS, SEM, UV-vis Spectrophotometer, TGA and DSC. The experimental results indicated that PBPMA chains were successfully introduced onto PVDF membranes. Most importantly, the PVDF-g-PBPMA membranes exhibited outstanding UV-shielding property. UV-vis transmittance spectra showed that most UV light below 360 nm could be absorbed by PVDF-g-PBPMA membranes and the whole UV light region (200-400 nm) can be blocked with the reaction time increased.

Biomimetic oligosaccharide and peptide surfactant polymers designed for cardiovascular biomaterials

NASA Astrophysics Data System (ADS)

Ruegsegger, Mark Andrew

A common problem associated with cardiovascular devices is surface induced thrombosis initiated by the rapid, non-specific adsorption of plasma proteins onto the biomaterial surface. Control of the initial protein adsorption is crucial to achieve the desired longevity of the implanted biomaterial. The cell membrane glycocalyx acts as a non-thrombogenic interface through passive (dense oligosaccharide structures) and active (ligand/receptor interactions) mechanisms. This thesis is designed to investigate biomimicry of the cell glycocalyx to minimize non-specific protein adsorption and promote specific ligand/receptor interactions. Biomimetic macromolecules were designed through the molecular-scale engineering of polymer surfactants, utilizing a poly(vinyl amine) (PVAm) backbone to which hydrophilic (dextran, maltose, peptide) and hydrophobic alkyl (hexanoyl or hexanal) chains are simultaneously attached. The structure was controlled through the molar feed ratio of hydrophobic-to-hydrophilic groups, which also provided control of the solution and surface-active properties. To mimic passive properties, a series of oligomaltose surfactants were synthesized with increasing saccharide length (n = 2, 7, 15 where n is number of glucose units) to investigate the effect of coating height on protein adsorption. The surfactants were characterized by infra red (IR) and nuclear magnetic resonance (NMR) spectroscopies for structural properties and atomic force microscopy (AFM) and contact angle goniometry for surface activity. Protein adsorption under dynamic flow (5 dyn/cm2) was reduced by 85%--95% over the bare hydrophobic substrate; platelet adhesion dropped by ˜80% compared to glass. Peptide ligands were incorporated into the oligosaccharide surfactant to promote functional activity of the passive coating. The surfactants were synthesized to contain 0%, 25%, 50%, 75%, and 100% peptide ligand density and were stable on hydrophobic surfaces. The peptide surface density was calculated to be 0.86 ligands/nm2 for PVAm(Pep)(100%), as determined by total internal reflection fluorescence (TIRF) spectroscopy. Similar cell growth was observed on the 100% peptide surfactant as for the fibronectin control, and no cell growth was seen on the 0% peptide. Increasing cell viability was observed for the surfaces with increasing peptide density. These results indicate much promise for surfactant polymers in surface modification and the capability to mimic the passive and active properties of the cell glycocalyx.

Direct observation of electrothermal instability structures on intensely Ohmically heated aluminum with current flowing in a surface skin layer

NASA Astrophysics Data System (ADS)

Awe, Thomas

2017-10-01

Implosions on the Z Facility assemble high-energy-density plasmas for radiation effects and ICF experiments, but achievable stagnation pressures and temperatures are degraded by the Magneto-Rayleigh-Taylor (MRT) instability. While the beryllium liners (tubes) used in Magnetized Liner Inertial Fusion (MagLIF) experiments are astonishingly smooth (10 to 50 nm RMS roughness), they also contain distributed micron-scale resistive inclusions, and large MRT amplitudes are observed. Early in the implosion, an electrothermal instability (ETI) may provide a perturbation which greatly exceeds the initial surface roughness of the liner. Resistive inhomogeneities drive nonuniform current density and Joule heating, resulting in locally higher temperature, and thus still higher resistivity. Such unstable temperature and pressure growth produce density perturbations which seed MRT. For MagLIF liners, ETI seeding of MRT has been inferred by evaluating late-time MRT, but a direct observation of ETI is not made. ETI is directly observed on the surface of 1.0-mm-diameter solid Al rods pulsed to 1 MA in 100 ns via high resolution gated optical imaging (2 ns temporal and 3 micron spatial resolution). Aluminum 6061 alloy rods, with micron-scale resistive inclusions, consistently first demonstrate overheating from distinct, 10-micron-scale, sub-eV spots, which 5-10 ns later merge into azimuthally stretched elliptical spots and discrete strata (40-100 microns wide by 10 microns tall). Axial plasma filaments form shortly thereafter. Surface plasma can be suppressed for rods coated with dielectric, enabling extended study of the evolution of stratified ETI structures, and experimental inference of ETI growth rates. This fundamentally new and highly 3-dimensional dataset informs ETI physics, including when the ETI seed of MRT may be initiated.

Effect of bioactive extruded PLA/HA composite films on focal adhesion formation of preosteoblastic cells.

PubMed

Persson, Maria; Lorite, Gabriela S; Kokkonen, Hanna E; Cho, Sung-Woo; Lehenkari, Petri P; Skrifvars, Mikael; Tuukkanen, Juha

2014-09-01

The quality of the initial cell attachment to a biomaterial will influence any further cell function, including spreading, proliferation, differentiation and viability. Cell attachment is influenced by the material's ability to adsorb proteins, which is related to the surface chemistry and topography of the material. In this study, we incorporated hydroxyapatite (HA) particles into a poly(lactic acid) (PLA) composite and evaluated the surface structure and the effects of HA density on the initial cell attachment in vitro of murine calvarial preosteoblasts (MC3T3-EI). Scanning electron microscopy (SEM), atomic force microscopy (AFM) and infrared spectroscopy (FTIR) showed that the HA particles were successfully incorporated into the PLA matrix and located at the surface which is of importance in order to maintain the bioactive effect of the HA particles. SEM and AFM investigation revealed that the HA density (particles/area) as well as surface roughness increased with HA loading concentration (i.e. 5, 10, 15 and 20wt%), which promoted protein adsorption. Furthermore, the presence of HA on the surface enhanced cell spreading, increased the formation of actin stress fibers and significantly improved the expression of vinculin in MC3T3-E1 cells which is a key player in the regulation of cell adhesion. These results suggest the potential utility of PLA/HA composites as biomaterials for use as a bone substitute material and in tissue engineering applications. Copyright © 2014 Elsevier B.V. All rights reserved.

Molecular dynamics simulations of the amino acid-ZnO (10-10) interface: a comparison between density functional theory and density functional tight binding results.

PubMed

grosse Holthaus, Svea; Köppen, Susan; Frauenheim, Thomas; Ciacchi, Lucio Colombi

2014-06-21

We investigate the adsorption behavior of four different amino acids (glutamine, glutamate, serine, cysteine) on the zinc oxide (101̄0) surface, comparing the geometry and energy associated with a number of different adsorption configurations. In doing this, we highlight the benefits and limits of using density-functional tight-binding (DFTB) with respect to standard density functional theory (DFT). The DFTB method is found to reliably reproduce the DFT adsorption geometries. Analysis of the adsorption configurations emphasizes the fundamental role of the first hydration layer in mediating the interactions between the amino acids and the surface. Direct surface-molecule bonds are found to form predominantly via the carboxylate groups of the studied amino acids. No surface-mediated chemical reactions are observed, with the notable exception of a proton transfer from the thiol group of cysteine to a hydroxyl group of the surface hydration layer. The adsorption energies are found to be dominated both by the formation of direct or indirect surface-molecule hydrogen bonds, but also by the rearrangement of the hydrogen-bond network in surface proximity in a non-intuitive way. Energetic comparisons between DFTB and DFT are made difficult on one side by the long time necessary to achieve convergence of potential energy values in MD simulations and on the other side by the necessity of including higher-order corrections to DFTB to obtain a good description of the hydrogen bond energetics. Overall, our results suggest that DFTB is a good reference method to set the correct chemical states and the initial geometries of hybrid biomolecule/ZnO systems to be simulated with non-reactive force fields.

Molecular dynamics simulations of the amino acid-ZnO (10-10) interface: A comparison between density functional theory and density functional tight binding results

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holthaus, Svea große; Köppen, Susan, E-mail: koeppen@hmi.uni-bremen.de; Frauenheim, Thomas

2014-06-21

We investigate the adsorption behavior of four different amino acids (glutamine, glutamate, serine, cysteine) on the zinc oxide (101{sup ¯}0) surface, comparing the geometry and energy associated with a number of different adsorption configurations. In doing this, we highlight the benefits and limits of using density-functional tight-binding (DFTB) with respect to standard density functional theory (DFT). The DFTB method is found to reliably reproduce the DFT adsorption geometries. Analysis of the adsorption configurations emphasizes the fundamental role of the first hydration layer in mediating the interactions between the amino acids and the surface. Direct surface-molecule bonds are found to formmore » predominantly via the carboxylate groups of the studied amino acids. No surface-mediated chemical reactions are observed, with the notable exception of a proton transfer from the thiol group of cysteine to a hydroxyl group of the surface hydration layer. The adsorption energies are found to be dominated both by the formation of direct or indirect surface-molecule hydrogen bonds, but also by the rearrangement of the hydrogen-bond network in surface proximity in a non-intuitive way. Energetic comparisons between DFTB and DFT are made difficult on one side by the long time necessary to achieve convergence of potential energy values in MD simulations and on the other side by the necessity of including higher-order corrections to DFTB to obtain a good description of the hydrogen bond energetics. Overall, our results suggest that DFTB is a good reference method to set the correct chemical states and the initial geometries of hybrid biomolecule/ZnO systems to be simulated with non-reactive force fields.« less

Hydrogel brushes grafted from stainless steel via surface-initiated atom transfer radical polymerization for marine antifouling

NASA Astrophysics Data System (ADS)

Wang, Jingjing; Wei, Jun

2016-09-01

Crosslinked hydrogel brushes were grafted from stainless steel (SS) surfaces for marine antifouling. The brushes were prepared by surface-initiated atom transfer radical polymerization (SI-ATRP) of 2-methacryloyloxyethyl phosphorylcholine (MPC) and poly(ethylene glycol) methyl ether methacrylate (PEGMA) respectively with different fractions of crosslinker in the feed. The grafted layers prepared with different thickness were characterized by X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), ellipsometry and water contact angle measurements. With the increase in the fraction of crosslinker in the feed, the thickness of the grafted layer increased and the surface became smooth. All the brush-coated SS surfaces could effectively reduce the adhesion of bacteria and microalgae and settlement of barnacle cyprids, as compared to the pristine SS surface. The antifouling efficacy of the PEGMA polymer (PPEGMA)-grafted surface was higher than that of the MPC polymer (PMPC)-grafted surfaces. Furthermore, the crosslinked hydrogel brush-grafted surfaces exhibited better fouling resistance than the non-crosslinked polymer brush-grafted surfaces, and the antifouling efficacy increased with the crosslinking density. These hydrogel coatings of low toxicity and excellent anti-adhesive characteristics suggested their useful applications as environmentally friendly antifouling coatings.

Characteristics code for shock initiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Partom, Y.

1986-10-01

We developed SHIN, a characteristics code for shock initiation studies. We describe in detail the equations of state, reaction model, rate equations, and numerical difference equations that SHIN incorporates. SHIN uses the previously developed surface burning reaction model which better represents the shock initiation process in TATB, than do bulk reaction models. A large number of computed simulations prove the code is a reliable and efficient tool for shock initiation studies. A parametric study shows the effect on build-up and run distance to detonation of (1) type of boundary condtion, (2) burning velocity curve, (3) shock duration, (4) rise timemore » in ramp loading, (5) initial density (or porosity) of the explosive, (6) initial temperature, and (7) grain size. 29 refs., 65 figs.« less

Evolution of protoplanetary discs with magnetically driven disc winds

NASA Astrophysics Data System (ADS)

Suzuki, Takeru K.; Ogihara, Masahiro; Morbidelli, Alessandro; Crida, Aurélien; Guillot, Tristan

2016-12-01

Aims: We investigate the evolution of protoplanetary discs (PPDs) with magnetically driven disc winds and viscous heating. Methods: We considered an initially massive disc with 0.1 M⊙ to track the evolution from the early stage of PPDs. We solved the time evolution of surface density and temperature by taking into account viscous heating and the loss of mass and angular momentum by the disc winds within the framework of a standard α model for accretion discs. Our model parameters, turbulent viscosity, disc wind mass-loss, and disc wind torque, which were adopted from local magnetohydrodynamical simulations and constrained by the global energetics of the gravitational accretion, largely depends on the physical condition of PPDs, particularly on the evolution of the vertical magnetic flux in weakly ionized PPDs. Results: Although there are still uncertainties concerning the evolution of the vertical magnetic flux that remains, the surface densities show a large variety, depending on the combination of these three parameters, some of which are very different from the surface density expected from the standard accretion. When a PPD is in a wind-driven accretion state with the preserved vertical magnetic field, the radial dependence of the surface density can be positive in the inner region <1-10 au. The mass accretion rates are consistent with observations, even in the very low level of magnetohydrodynamical turbulence. Such a positive radial slope of the surface density strongly affects planet formation because it inhibits the inward drift or even causes the outward drift of pebble- to boulder-sized solid bodies, and it also slows down or even reversed the inward type-I migration of protoplanets. Conclusions: The variety of our calculated PPDs should yield a wide variety of exoplanet systems.

Density and lithospheric structure at Tyrrhena Patera, Mars, from gravity and topography data

NASA Astrophysics Data System (ADS)

Grott, M.; Wieczorek, M. A.

2012-09-01

The Tyrrhena Patera highland volcano, Mars, is associated with a relatively well localized gravity anomaly and we have carried out a localized admittance analysis in the region to constrain the density of the volcanic load, the load thickness, and the elastic thickness at the time of load emplacement. The employed admittance model considers loading of an initially spherical surface, and surface as well as subsurface loading is taken into account. Our results indicate that the gravity and topography data available at Tyrrhena Patera is consistent with the absence of subsurface loading, but the presence of a small subsurface load cannot be ruled out. We obtain minimum load densities of 2960 kg m-3, minimum load thicknesses of 5 km, and minimum load volumes of 0.6 × 106 km3. Photogeological evidence suggests that pyroclastic deposits make up at most 30% of this volume, such that the bulk of Tyrrhena Patera is likely composed of competent basalt. Best fitting model parameters are a load density of 3343 kg m-3, a load thickness of 10.8 km, and a load volume of 1.7 × 106 km3. These relatively large load densities indicate that lava compositions are comparable to those at other martian volcanoes, and densities are comparable to those of the martian meteorites. The elastic thickness in the region is constrained to be smaller than 27.5 km at the time of loading, indicating surface heat flows in excess of 24 mW m-2.

Using surface water application to reduce 1,3-dichloropropene emission from soil fumigation.

PubMed

Gao, Suduan; Trout, Thomas J

2006-01-01

High emissions from soil fumigants increase the risk of detrimental impact on workers, bystanders, and the environment, and jeopardize future availability of fumigants. Efficient and cost-effective approaches to minimize emissions are needed. This study evaluated the potential of surface water application (or water seal) to reduce 1,3-dichloropropene (1,3-D) emissions from soil (Hanford sandy loam) columns. Treatments included dry soil (control), initial water application (8 mm of water just before fumigant application), initial plus a second water application (2.6 mm) at 12 h, initial plus two water applications (2.6 mm each time) at 12 and 24 h, standard high density polyethylene (HDPE) tarp, initial water application plus HDPE tarp, and virtually impermeable film (VIF) tarp. Emissions from the soil surface and distribution of 1,3-D in the soil-gas phase were monitored for 2 wk. Each water application abruptly reduced 1,3-D emission flux, which rebounded over a few hours. Peak emission rates were substantially reduced, but total emission reduction was small. Total fumigant emission was 51% of applied for the control, 46% for initial water application only, and 41% for the three intermittent water applications with the remaining water treatment intermediate. The HDPE tarp alone resulted in 45% emission, while initial water application plus HDPE tarp resulted in 38% emission. The most effective soil surface treatment was VIF tarp (10% emission). Surface water application can be as effective, and less expensive than, standard HDPE tarp. Frequent water application is required to substantially reduce emissions.

Understanding self ion damage in FCC Ni-Cr-Fe based alloy using X-ray diffraction techniques

NASA Astrophysics Data System (ADS)

Halder Banerjee, R.; Sengupta, P.; Chatterjee, A.; Mishra, S. C.; Bhukta, A.; Satyam, P. V.; Samajdar, I.; Dey, G. K.

2018-04-01

Using X-ray diffraction line profile analysis (XRDLPA) approach the radiation response of FCC Ni-Cr-Fe based alloy 690 to 1.5 and 3 MeV Ni2+ ion damage was quantified in terms of its microstructural parameters. These microstructural parameters viz. average domain size, microstrain and dislocation density were found to vary anisotropically with fluence. The anisotropic behaviour is mainly attributable to presence of twins in pre-irradiated microstructure. After irradiation, surface roughness increases as a function of fluence attributable to change in surface and sub-surface morphology caused by displacement cascade, defects and sputtered atoms created by incident energetic ion. The radiation hardening in case of 1.5 MeV Ni2+ irradiated specimens too is a consequence of the increase in dislocation density formed by interaction of radiation induced defects with pre-existing dislocations. At highest fluence there is an initiation of saturation.

Scalable patterning using laser-induced shock waves

NASA Astrophysics Data System (ADS)

Ilhom, Saidjafarzoda; Kholikov, Khomidkhodza; Li, Peizhen; Ottman, Claire; Sanford, Dylan; Thomas, Zachary; San, Omer; Karaca, Haluk E.; Er, Ali O.

2018-04-01

An advanced direct imprinting method with low cost, quick, and minimal environmental impact to create a thermally controllable surface pattern using the laser pulses is reported. Patterned microindents were generated on Ni50Ti50 shape memory alloys and aluminum using an Nd: YAG laser operating at 1064 nm combined with a suitable transparent overlay, a sacrificial layer of graphite, and copper grid. Laser pulses at different energy densities, which generate pressure pulses up to a few GPa on the surface, were focused through the confinement medium, ablating the copper grid to create plasma and transferring the grid pattern onto the surface. Scanning electron microscope and optical microscope images show that various patterns were obtained on the surface with high fidelity. One-dimensional profile analysis indicates that the depth of the patterned sample initially increases with the laser energy and later levels off. Our simulations of laser irradiation process also confirm that high temperature and high pressure could be generated when the laser energy density of 2 J/cm2 is used.

A High-Sensitivity Broad-Band Seismic Sensor for Shallow Seismic Sounding of the Lunar Regolith

NASA Technical Reports Server (NTRS)

Pike, W. Thomas; Standley, Ian M.; Banerdt, W. Bruce

2005-01-01

The recently undertaken Space Exploration Initiative has prompted a renewed interest in techniques for characterizing the surface and shallow subsurface (0-10s of meters depth) of the Moon. There are several reasons for this: First, there is an intrinsic scientific interest in the subsurface structure. For example the stratigraphy, depth to bedrock, density/porosity, and block size distribution all have implications for the formation of, and geological processes affecting the surface, such as sequential crater ejecta deposition, impact gardening, and seismic settling. In some permanently shadowed craters there may be ice deposits just below the surface. Second, the geotechnical properties of the lunar surface layers are of keen interest to future mission planners. Regolith thickness, strength, density, grain size and compaction will affect construction of exploration infrastructure in terms of foundation strength and stability, ease of excavation, radiation shielding effectiveness, as well as raw material handling and processing techniques for resource extraction.

Charge Dynamics in near-Surface, Variable-Density Ensembles of Nitrogen-Vacancy Centers in Diamond.

PubMed

Dhomkar, Siddharth; Jayakumar, Harishankar; Zangara, Pablo R; Meriles, Carlos A

2018-06-13

Although the spin properties of superficial shallow nitrogen-vacancy (NV) centers have been the subject of extensive scrutiny, considerably less attention has been devoted to studying the dynamics of NV charge conversion near the diamond surface. Using multicolor confocal microscopy, here we show that near-surface point defects arising from high-density ion implantation dramatically increase the ionization and recombination rates of shallow NVs compared to those in bulk diamond. Further, we find that these rates grow linearly, not quadratically, with laser intensity, indicative of single-photon processes enabled by NV state mixing with other defect states. Accompanying these findings, we observe NV ionization and recombination in the dark, likely the result of charge transfer to neighboring traps. Despite the altered charge dynamics, we show that one can imprint rewritable, long-lasting patterns of charged-initialized, near-surface NVs over large areas, an ability that could be exploited for electrochemical biosensing or to optically store digital data sets with subdiffraction resolution.

Impact-generated dust clouds around planetary satellites: asymmetry effects

NASA Astrophysics Data System (ADS)

Sremčević, Miodrag; Krivov, Alexander V.; Spahn, Frank

2003-06-01

In a companion paper (Krivov et al., Impact-generated dust clouds around planetary satellites: spherically symmetric case, Planet. Space. Sci. 2003, 51, 251-269) an analytic model of an impact-generated, steady-state, spherically symmetric dust cloud around an atmosphereless planetary satellite (or planet - Mercury, Pluto) has been developed. This paper lifts the assumption of spherical symmetry and focuses on the asymmetry effects that result from the motion of the parent body through an isotropic field of impactors. As in the spherically symmetric case, we first consider the dust production from the surface and then derive a general phase-space distribution function of the ensemble of ejected dust motes. All quantities of interest, such as particle number densities and fluxes, can be obtained by integrating this phase-space distribution function. As an example, we calculate an asymmetric distribution of dust number density in a cloud. It is found that the deviation from the symmetric case can be accurately described by a cosine function of the colatitude measured from the apex of the satellite motion. This property of the asymmetry is rather robust. It is shown that even an extremely asymmetric dust production at the surface, when nearly all dust is ejected from the leading hemisphere, turns rapidly into the cosine modulation of the number density at distances larger than a few satellite radii. The amplitude of the modulation depends on the ratio of the moon orbital velocity to the speed of impactors and on the initial angular distribution of the ejecta. Furthermore, regardless of the functional form of the initial angular distribution, the number density distribution of the dust cloud is only sensitive to the mean ejecta angle. When the mean angle is small - ejection close to the normal of the surface - the initial dust production asymmetry remains persistent even far from the satellite, but when this angle is larger than about 45°, the asymmetry coefficient drops very rapidly with the increasing distance. The dependence of the asymmetric number density on other parameters is very weak. On the whole, our results provide necessary theoretical guidelines for a dedicated quest of asymmetries in the dust detector data, both those obtained by the Galileo dust detector around the Galilean satellites of Jupiter and those expected from the Cassini dust experiment around outer Saturnian moons.

Experimental design to generate strong shear layers in a high-energy-density plasma

NASA Astrophysics Data System (ADS)

Harding, E. C.; Drake, R. P.; Aglitskiy, Y.; Gillespie, R. S.; Grosskopf, M. J.; Weaver, J. L.; Velikovich, A. L.; Visco, A.; Ditmar, J. R.

2010-06-01

The development of a new experimental system for generating a strong shear flow in a high-energy-density plasma is described in detail. The targets were designed with the goal of producing a diagnosable Kelvin-Helmholtz (KH) instability, which plays an important role in the transition turbulence but remains relatively unexplored in the high-energy-density regime. To generate the shear flow the Nike laser was used to drive a flow of Al plasma over a low-density foam surface with an initial perturbation. The interaction of the Al and foam was captured with a spherical crystal imager using 1.86 keV X-rays. The selection of the individual targets components is discussed and results are presented.

Universal Surface-initiated Polymerization of Antifouling Zwitterionic Brushes Using A Mussel-Mimetic Peptide Initiator

PubMed Central

Kuang, Jinghao; Messersmith, Phillip B.

2012-01-01

We report a universal method for the surface-initated polymerization (SIP) of a antifouling polymer brush on various classes of surfaces, including noble metals, metal oxides and inert polymers. Inspired by the versatility of mussel adhesive proteins, we synthesized a novel bifunctional tripeptide bromide (BrYKY) which combines an atom transfer radical polymerization (ATRP) initiating alkyl bromide with l-3,4-dihydroxyphenylalanine (DOPA) and lysine. Simple dip-coating of substrates with variable wetting properties and compositions, including Teflon®, in a BrYKY solution at pH 8.5 led to formation of a thin film of cross-linked BrYKY. Subsequently, we showed that the BrYKY layer initiated the ATRP of a zwitterionic monomer, sulfobetaine methacrylate (SBMA) on all substrates, resulting in high density antifouling pSBMA brushes. Both BrYKY deposition and pSBMA grafting were unambiguously confirmed by ellipsometry, X-ray photoelectron spectroscopy and goniometry. All substrates that were coated with BrYKY/pSBMA dramatically reduced bacterial adhesion for 24 h and also resisted mammalian cell adhesion for at least 4 months, demonstrating the long-term stability of the BrYKY anchoring and antifouling properties of pSBMA. The use of BrYKY as a primer and polymerization initiator has the potential to be widely employed in surface grafted polymer brush modifications for biomedical and other applications. PMID:22506651

Proton transfer to charged platinum electrodes. A molecular dynamics trajectory study.

PubMed

Wilhelm, Florian; Schmickler, Wolfgang; Spohr, Eckhard

2010-05-05

A recently developed empirical valence bond (EVB) model for proton transfer on Pt(111) electrodes (Wilhelm et al 2008 J. Phys. Chem. C 112 10814) has been applied in molecular dynamics (MD) simulations of a water film in contact with a charged Pt surface. A total of seven negative surface charge densities σ between -7.5 and -18.9 µC cm(-2) were investigated. For each value of σ, between 30 and 84 initial conditions of a solvated proton within a water slab were sampled, and the trajectories were integrated until discharge of a proton occurred on the charged surfaces. We have calculated the mean rates for discharge and for adsorption of solvated protons within the adsorbed water layer in contact with the metal electrode as a function of surface charge density. For the less negative values of σ we observe a Tafel-like exponential increase of discharge rate with decreasing σ. At the more negative values this exponential increase levels off and the discharge process is apparently transport limited. Mechanistically, the Tafel regime corresponds to a stepwise proton transfer: first, a proton is transferred from the bulk into the contact water layer, which is followed by transfer of a proton to the charged surface and concomitant discharge. At the more negative surface charge densities the proton transfer into the contact water layer and the transfer of another proton to the surface and its discharge occur almost simultaneously.

Yield surfaces for frictional sphere assemblages

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goddard, J.D.; Didwania, A.K.

1995-12-31

By means of a recently developed computer algorithm for simulation of the quasi-static I mechanics of sphere assemblages, we have performed extensive computations of the dilatancy and plasticity of such systems for various proportional loading histories. We have investigated the effect of initial packing density or void ratio, size polydispersity, friction coefficient and plastic strain on the evolution of the yield surface. We find that all the yield surfaces tend to an asymptotic form which is well represented by the Lade-Duncan yield surface, developed originally for sand, suggesting that the Lade-Duncan form may reflect some universality in the behavior ofmore » assemblages of rigid frictional particles.« less

Casting of particle-based hollow shapes

DOEpatents

Menchhofer, P.

1997-09-09

A method is disclosed for the production of hollow articles made of a particle-based material; e.g., ceramics and sintered metals. In accordance with one aspect of the invention, a thermally settable slurry containing a relatively high concentration of the particles is coated onto a prewarmed continuous surface in a relatively thin layer so that the slurry is substantially uniformly coated on the surface. The heat of the prewarmed surface conducts to the slurry to initiate a reaction which causes the slurry to set or harden in a shape conforming to the surface. The hardened configurations may then be sintered to consolidate the particles and provide a high density product. 9 figs.

Casting of particle-based hollow shapes

DOEpatents

Menchhofer, P.

1995-05-30

A method is disclosed for the production of hollow articles made of a particle-based material; e.g., ceramics and sintered metals. In accordance with one aspect of the invention, a thermally settable slurry containing a relatively high concentration of the particles is coated onto a prewarmed continuous surface in a relatively thin layer so that the slurry is substantially uniformly coated on the surface. The heat of the prewarmed surface conducts to the slurry to initiate a reaction which causes the slurry to set or harden in a shape conforming to the surface. The hardened configurations may then be sintered to consolidate the particles and provide a high density product. 9 figs.

Casting of particle-based hollow shapes

DOEpatents

Menchhofer, Paul

1997-01-01

A method for the production of hollow articles made of a particle-based material; e.g., ceramics and sintered metals. In accordance with one aspect of the invention, a thermally settable slurry containing a relatively high concentration of the particles is coated onto a prewarmed continuous surface in a relatively thin layer so that the slurry is substantially uniformly coated on the surface. The heat of the prewarmed surface conducts to the slurry to initiate a reaction which causes the slurry to set or harden in a shape conforming to the surface. The hardened configurations may then be sintered to consolidate the particles and provide a high density product.

Casting of particle-based hollow shapes

DOEpatents

Menchhofer, Paul

1995-01-01

A method for the production of hollow articles made of a particle-based material; e.g., ceramics and sintered metals. In accordance with one aspect of the invention, a thermally settable slurry containing a relatively high concentration of the particles is coated onto a prewarmed continuous surface in a relatively thin layer so that the slurry is substantially uniformly coated on the surface. The heat of the prewarmed surface conducts to the slurry to initiate a reaction which causes the slurry to set or harden in a shape conforming to the surface. The hardened configurations may then be sintered to consolidate the particles and provide a high density product.

Modulating interactions between ligand-coated nanoparticles and phase-separated lipid bilayers by varying the ligand density and the surface charge.

PubMed

Chen, Xiaojie; Tieleman, D Peter; Liang, Qing

2018-02-01

The interactions between nanoparticles and lipid bilayers are critical in applications of nanoparticles in nanomedicine, cell imaging, toxicology, and elsewhere. Here, we investigate the interactions between nanoparticles coated with neutral and/or charged ligands and phase-separated lipid bilayers using coarse-grained molecular dynamics simulation. Both penetration and adsorption processes as well as the final distribution of the nanoparticles can be readily modulated by varying the ligand density and the surface charge of the nanoparticles. Completely hydrophobic (neutral) nanoparticles with larger size initially preferentially penetrate into the liquid-disordered region of the lipid bilayer and finally transfer into the liquid-ordered region; partially hydrophilic nanoparticles with low or moderate surface charge tend to either distribute in the liquid-disordered region or be adsorbed on the surface of the lipid bilayer, while strongly hydrophilic nanoparticles with high surface charge always reside on the surface of the lipid bilayer. Interactions of the nanoparticles with the lipid bilayers are affected by the surface charge of nanoparticles, hydrophobic mismatch, bending of the ligands, and the packing state of the lipids. Insight in these factors can be used to improve the efficiency of designing nanoparticles for specific applications.

Characterization of Etch Pit Formation via the Everson-Etching Method on CdZnTe Crystal Surfaces from the Bulk to the Nano-Scale

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teague, L.; Duff, M.; Cadieux, J.

2010-09-24

A combination of atomic force microscopy, optical microscopy, and mass spectrometry was employed to study CdZnTe crystal surface and used etchant solution following exposure of the CdZnTe crystal to the Everson etch solution. We discuss the results of these studies in relationship to the initial surface preparation methods, the performance of the crystals as radiation spectrometers, the observed etch pit densities, and the chemical mechanism of surface etching. Our results show that the surface features that are exposed to etchants result from interactions with the chemical components of the etchants as well as pre-existing mechanical polishing.

Imprints of feedback in young gasless clusters?

NASA Astrophysics Data System (ADS)

Parker, Richard J.; Dale, James E.

2013-06-01

We present the results of N-body simulations in which we take the masses, positions and velocities of sink particles from five pairs of hydrodynamical simulations of star formation by Dale et al. and evolve them for further 10 Myr. We compare the dynamical evolution of star clusters that formed under the influence of mass-loss driven by photoionization feedback to the evolution of clusters that formed without feedback. We remove any remaining gas and follow the evolution of structure in the clusters (measured by the Q-parameter), half-mass radius, central density, surface density and the fraction of bound stars. There is little discernible difference in the evolution of clusters that formed with feedback compared to those that formed without. The only clear trend is that all clusters which form without feedback in the hydrodynamical simulations lose any initial structure over 10 Myr, whereas some of the clusters which form with feedback retain structure for the duration of the subsequent N-body simulation. This is due to lower initial densities (and hence longer relaxation times) in the clusters from Dale et al. which formed with feedback, which prevents dynamical mixing from erasing substructure. However, several other conditions (such as supervirial initial velocities) also preserve substructure, so at a given epoch one would require knowledge of the initial density and virial state of the cluster in order to determine whether star formation in a cluster has been strongly influenced by feedback.

Combined advanced finishing and UV laser conditioning process for producing damage resistant optics

DOEpatents

Menapace, Joseph A.; Peterson, John E.; Penetrante, Bernardino M.; Miller, Philip E.; Parham, Thomas G.; Nichols, Michael A.

2005-07-26

A method for reducing the density of sites on the surface of fused silica optics that are prone to the initiation of laser-induced damage, resulting in optics which have far fewer catastrophic defects, and are better capable of resisting optical deterioration upon exposure to a high-power laser beam.

Application of laboratory fungal resistance tests to solid wood and wood-plastic composite

Treesearch

Craig Merrill Clemons; Rebecca E. Ibach

2003-01-01

The fungal resistance of high density polyethylene filled with 50% wood flour was investigated using laboratory soil block tests. Modifications to standard test methods were made to increase initial moisture content, increase exposure surface area, and track moisture content, mechanical properties, and weight loss over the exposure period. Mechanical properties...

Dynamic Processes at Semiconductor Interfaces: Atomic Intermixing, Diffusion Barriers, and Stability

DTIC Science & Technology

1991-08-15

that the movement of the Fermi level position at the Si surface and the variation of heterojunction band lineup correlated to the density of...that the topmost layer of As atoms was initially involved in a sequential two-step reaction to produce As l - and As 3+- like oxides. These reactions

Initial evaluation of floor cooling on lactating sows under severe acute heat stress

USDA-ARS?s Scientific Manuscript database

The objective was to evaluate the effects of floor cooling on lactating sows under severe summer heat stress. Twelve multiparous sows were provided with a cooling pad built with an aluminum plate surface, high-density polyethylene base and copper pipes. Treatments were randomly allotted to sows to r...

Initial evaluation of floor cooling on lactating sows under severe acute heat stress

USDA-ARS?s Scientific Manuscript database

The objectives were to evaluate an acute heat stress protocol for lactating sows and evaluate preliminary estimates of water flow rates required to cool sows. Twelve multiparous sows were provided with a cooling pad built with an aluminum plate surface, high-density polyethylene base and copper pipe...

Dissociative adsorption of a multifunctional compound on a semiconductor surface: a theoretical study of the adsorption of hydroxylamine on Ge(100).

PubMed

Park, Hyunkyung; Kim, Do Hwan

2018-06-06

The adsorption behavior of hydroxylamine on a Ge(100) surface was investigated using density functional theory (DFT) calculations. These calculations predicted that hydroxylamine, a multifunctional compound consisting of a hydroxyl group and an amine group, would initially become adsorbed through N-dative bonding, or alternatively through the hydroxyl group via O-H dissociative adsorption. An N-O dissociative reaction may also occur, mainly via N-dative molecular adsorption, and the N-O dissociative product was calculated to be the most stable of all the possible adsorption structures. The calculations furthermore indicated the formation of the N-O dissociative product from the N-dative structure to be nearly barrierless and the dissociated hydroxyl and amine groups to be bonded to two Ge atoms of adjacent Ge dimers. Simulated STM images suggested the change in electron density that would occur upon adsorption of hydroxylamine in various adsorption configurations, and specifically indicated the N-O dissociative product to have greater electron density around the amine groups, and the hydroxyl groups to mainly contribute electron density to the unoccupied electronic states.

Ordering nanoparticles with polymer brushes

NASA Astrophysics Data System (ADS)

Cheng, Shengfeng; Stevens, Mark J.; Grest, Gary S.

2017-12-01

Ordering nanoparticles into a desired super-structure is often crucial for their technological applications. We use molecular dynamics simulations to study the assembly of nanoparticles in a polymer brush randomly grafted to a planar surface as the solvent evaporates. Initially, the nanoparticles are dispersed in a solvent that wets the polymer brush. After the solvent evaporates, the nanoparticles are either inside the brush or adsorbed at the surface of the brush, depending on the strength of the nanoparticle-polymer interaction. For strong nanoparticle-polymer interactions, a 2-dimensional ordered array is only formed when the brush density is finely tuned to accommodate a single layer of nanoparticles. When the brush density is higher or lower than this optimal value, the distribution of nanoparticles shows large fluctuations in space and the packing order diminishes. For weak nanoparticle-polymer interactions, the nanoparticles order into a hexagonal array on top of the polymer brush as long as the grafting density is high enough to yield a dense brush. An interesting healing effect is observed for a low-grafting-density polymer brush that can become more uniform in the presence of weakly adsorbed nanoparticles.

A two-dimensional MHD global coronal model - Steady-state streamers

NASA Technical Reports Server (NTRS)

Wang, A.-H.; Wu, S. T.; Suess, S. T.; Poletto, G.

1992-01-01

A 2D, time-dependent, numerical, MHD model for the simulation of coronal streamers from the solar surface to 15 solar is presented. Three examples are given; for dipole, quadrupole and hexapole (Legendre polynomials P1, P2, and P3) initial field topologies. The computed properties are density, temperature, velocity, and magnetic field. The calculation is set up as an initial-boundary value problem wherein a relaxation in time produces the steady state solution. In addition to the properties of the solutions, their accuracy is discussed. Besides solutions for dipole, quadrupole, and hexapole geometries, the model use of realistic values for the density and Alfven speed while still meeting the requirement that the flow speed be super-Alfvenic at the outer boundary by extending the outer boundary to 15 solar radii.

Ultrasmall iron oxide nanoparticles for biomedical applications: improving the colloidal and magnetic properties.

PubMed

Costo, Rocio; Bello, Valentina; Robic, Caroline; Port, Marc; Marco, Jose F; Puerto Morales, M; Veintemillas-Verdaguer, Sabino

2012-01-10

A considerable increase in the saturation magnetization, M(s) (40%), and initial susceptibility of ultrasmall (<5 nm) iron oxide nanoparticles prepared by laser pyrolysis was obtained through an optimized acid treatment. Moreover, a significant enhancement in the colloidal properties, such as smaller aggregate sizes in aqueous media and increased surface charge densities, was found after this chemical protocol. The results are consistent with a reduction in nanoparticle surface disorder induced by a dissolution-recrystallization mechanism.

The formation mechanism and evolution of ps-laser-induced high-spatial-frequency periodic surface structures on titanium

NASA Astrophysics Data System (ADS)

Pan, A. F.; Wang, W. J.; Mei, X. S.; Yang, H. Z.; Sun, X. F.

2017-01-01

We report the formation and evolution mechanisms of HSFLs (high-spatial-frequency laser-induced periodic surface structures) on the commercial pure titanium under 10-ps 532-nm-wavelength laser irradiation. At a lower peak laser fluence, HSFLs in the rough zone are first formed along the surface texture. Subsequently, HSFLs in the flat zone are formed with an orientation parallel to the laser polarization direction. The formation of HSFLs can be attributed to the parallel orientation of the initial periodic modulation of the electron plasma concentration to the laser polarization direction. In particular, the formation of HSFLs along the surface texture occurs because the absorbed laser energy density is along the surface texture. At a higher peak laser fluence, two types of HSFLs appear together with LSFLs. The first type involves HSFLs that initially cover the concave part of the LSFL (low-spatial-frequency laser-induced periodic surface structures) and penetrate inward as the number of spot overlaps increases. This formation mechanism can be attributed to cavitation instability. The second type involves HSFLs that are initially in the convex part of the LSFL, and they are transformed into oxidized nanodots as the number of spot overlaps increases. The oxidized nanodots increase the absorption of laser energy in titanium, which leads to the ablation and removal of the oxidized material. Therefore, the surface of the LSFL becomes smooth.

Proton conduction of polyAMPS brushes on titanate nanotubes

PubMed Central

Feng, Jun; Huang, Yaqin; Tu, Zhengkai; Zhang, Haining; Pan, Mu; Tang, Haolin

2014-01-01

Proton conducting materials having reasonable proton conductivity at low humidification conditions are critical for decrease in system complexity and improvement of power density for polymer electrolyte membrane fuel cells. This study shows that polyelectrolyte brushes on titanate nanotubes formed through surface-initiated free radical polymerization exhibit less humidity-dependent proton conduction because of the high grafting density of polymer electrolyte chains and well-distribution of ionic groups. The results described in this study provide an idea for design of new proton conductors with effective ion transport served at relatively low humidification levels. PMID:25169431

The statistics of peaks of Gaussian random fields. [cosmological density fluctuations

NASA Technical Reports Server (NTRS)

Bardeen, J. M.; Bond, J. R.; Kaiser, N.; Szalay, A. S.

1986-01-01

A set of new mathematical results on the theory of Gaussian random fields is presented, and the application of such calculations in cosmology to treat questions of structure formation from small-amplitude initial density fluctuations is addressed. The point process equation is discussed, giving the general formula for the average number density of peaks. The problem of the proper conditional probability constraints appropriate to maxima are examined using a one-dimensional illustration. The average density of maxima of a general three-dimensional Gaussian field is calculated as a function of heights of the maxima, and the average density of 'upcrossing' points on density contour surfaces is computed. The number density of peaks subject to the constraint that the large-scale density field be fixed is determined and used to discuss the segregation of high peaks from the underlying mass distribution. The machinery to calculate n-point peak-peak correlation functions is determined, as are the shapes of the profiles about maxima.

Influence of Initial Geometry and Boundary Conditions on Flat Subduction Models and Resulting Topography

NASA Astrophysics Data System (ADS)

Nelson, P.; Moucha, R.

2014-12-01

Numerical investigations of surface deformation in response to flat slab subduction began with seminal papers by Bird (1988) and Mitrovica et al. (1989). Recently, a number of numerical studies have begun to explore the complexity in the dynamics of flat-slab subduction initiation and continuation, but did not address the corresponding surface deformation (English et al., 2003; Pérez-Campos et al., 2008; Liu et al., 2010; Jones et al., 2011; Arrial and Billen, 2013; Vogt and Gerya, 2014). Herein, we explore the conditions that lead to flat-slab subduction and characterize the resulting surface deformation using a 2D finite-difference marker-in-cell method. We specifically explore how initial model geometry and boundary conditions affect the evolution of the angle at which a slab subducts in the presence/absence of a buoyant oceanic plateau and the resulting surface topography. In our simulations, the surface is tracked through time as an internal erosion/sedimentation surface. The top boundary of the crust is overlaid by a "sticky" (viscous 10^17 Pa.s) water/air layer with correspondingly stratified densities. We apply a coupled surface processes model that solves the sediment transport/diffusion erosion equation at each time step to account for the corresponding crustal mass flux and its effect on crustal deformation. Model results show the initial angle of subduction has a substantial impact on the subduction angle of the slab and hence the evolution of topography. The results also indicate plate velocity and the presence of an oceanic plateau in a forced subduction only have a moderate effect on the angle of subduction.

Initial stages of Lutetium growth on Si (111)-7 × 7 probed by STM and core-level photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Smykalla, Lars; Shukrynau, Pavel; Hietschold, Michael

2017-09-01

The interaction of small amounts of Lutetium with the Si (111)-7 × 7 reconstructed surface was investigated in detail using a combination of Scanning Tunneling Microscopy (STM) and Photoelectron Spectroscopy (XPS and UPS). Various immobile and also fastly moving atoms and nanocluster were found in the initial growth of the Lu/Si interface. Density functional theory calculations and photoelectron spectroscopy results suggest that the most attractive adsorption sites for the Lu atoms are basins around Si rest-atoms and there is no strong interaction between Lu and Si at the initial steps of film growth. However Lu nanocluster could also be found on other adsorption sites which results in a different voltage dependence in STM. Coverage-dependent STM images reveal the growth of a closed Lu metal overlayer by joining of the clusters. The existence of a stoichiometric Lu silicide compound was not detected on the surface in the initial growth for deposition at room temperature.

Fractality and growth of He bubbles in metals

NASA Astrophysics Data System (ADS)

Kajita, Shin; Ito, Atsushi M.; Ohno, Noriyasu

2017-08-01

Pinholes are formed on surfaces of metals by the exposure to helium plasmas, and they are regarded as the initial process of the growth of fuzzy nanostructures. In this study, number density of the pinholes is investigated in detail from the scanning electron microscope (SEM) micrographs of tungsten and tantalum exposed to the helium plasmas. A power law relation was identified between the number density and the size of pinholes. From the slope and the region where the power law was satisfied, the fractal dimension D and smin, which characterize the SEM images, are deduced. Parametric dependences and material dependence of D and smin are revealed. To explain the fractality, simple Monte-Carlo simulations including random walks of He atoms and absorption on bubble was introduced. It is shown that the initial position of the random walk is one of the key factors to deduce the fractality. The results indicated that new nucleations of bubbles are necessary to reproduce the number-density distribution of bubbles.

First principles investigation of the initial stage of H-induced missing-row reconstruction of Pd(110) surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Padama, Allan Abraham B.; Kasai, Hideaki, E-mail: kasai@dyn.ap.eng.osaka-u.ac.jp; Center for Atomic and Molecular Technologies, Osaka University, Suita, Osaka 565-0871

2014-06-28

The pathway of H diffusion that will induce the migration of Pd atom is investigated by employing first principles calculations based on density functional theory to explain the origin of missing-row reconstruction of Pd(110).The calculated activation barrier and the H-induced reconstruction energy reveal that the long bridge-to-tetrahedral configuration is the energetically favored process for the initial stage of reconstruction phenomenon. While the H diffusion triggers the migration of Pd atom, it is the latter process that significantly contributes to the activated missing-row reconstruction of Pd(110). Nonetheless, the strong interaction between the diffusing H and the Pd atoms dictates the occurrencemore » of reconstructed surface.« less

Stress Proteins and Initiation of Immune Response: Chaperokine activity of Hsp72

PubMed Central

Asea, Alexzander

2006-01-01

From its original description as solely an intracellular molecular chaperone, heat shock proteins have now been shown to function as initiators of the host's immune response. Although the exact mechanism by which intracellular heat shock proteins leave cells is still incompletely understood, recent work from several labs suggest that heat shock proteins are released by both passive (necrotic) and active (physiological) mechanisms. Binding to specific surface receptors is a prerequisite for the initiation of an immune response. To date, several cell surface proteins have been described as the receptor for seventy kilo-Dalton heat shock protein (Hsp70) including Toll-like receptors 2 and 4 with their cofactor CD14, the scavenger receptor CD36, the low-density lipoprotein receptor-related protein CD91, the C-type lectin receptor LOX-1, and another member of the scavenger super-family SR-A plus the co-stimulatory molecule, CD40. Binding of Hsp70 to these surface receptors specifically activates intracellular signaling cascades, which in turn exert immunoregulatory effector functions; a process known as the chaperokine activity of Hsp70. This review will highlight recent advances in understanding the mechanism by which Hsp70 initiates the host's immune response. PMID:16385842

Stress proteins and initiation of immune response: chaperokine activity of hsp72.

PubMed

Asea, Alexzander

2005-01-01

From its original description as solely an intracellular molecular chaperone, heat shock proteins have now been shown to function as initiators of the host's immune response. Although the exact mechanism by which intracellular heat shock proteins leave cells is still incompletely understood, recent work from several labs suggest that heat shock proteins are released by both passive (necrotic) and active (physiological) mechanisms. Binding to specific surface receptors is a prerequisite for the initiation of an immune response. To date, several cell surface proteins have been described as the receptor for seventy kilo-Dalton heat shock protein (Hsp70) including Toll-like receptors 2 and 4 with their cofactor CD14, the scavenger receptor CD36, the low-density lipoprotein receptor-related protein CD91, the C-type lectin receptor LOX-1, and another member of the scavenger super-family SR-A plus the co-stimulatory molecule, CD40. Binding of Hsp70 to these surface receptors specifically activates intracellular signaling cascades, which in turn exert immunoregulatory effector functions; a process known as the chaperokine activity of Hsp70. This review will highlight recent advances in understanding the mechanism by which Hsp70 initiates the host's immune response.

Impact of atmospheric effects on the energy reconstruction of air showers observed by the surface detectors of the Pierre Auger Observatory

NASA Astrophysics Data System (ADS)

Aab, A.; Abreu, P.; Aglietta, M.; Samarai, I. Al; Albuquerque, I. F. M.; Allekotte, I.; Almela, A.; Alvarez Castillo, J.; Alvarez-Muñiz, J.; Anastasi, G. A.; Anchordoqui, L.; Andrada, B.; Andringa, S.; Aramo, C.; Arqueros, F.; Arsene, N.; Asorey, H.; Assis, P.; Aublin, J.; Avila, G.; Badescu, A. M.; Balaceanu, A.; Barreira Luz, R. J.; Baus, C.; Beatty, J. J.; Becker, K. H.; Bellido, J. A.; Berat, C.; Bertaina, M. E.; Bertou, X.; Biermann, P. L.; Billoir, P.; Biteau, J.; Blaess, S. G.; Blanco, A.; Blazek, J.; Bleve, C.; Boháčová, M.; Boncioli, D.; Bonifazi, C.; Borodai, N.; Botti, A. M.; Brack, J.; Brancus, I.; Bretz, T.; Bridgeman, A.; Briechle, F. L.; Buchholz, P.; Bueno, A.; Buitink, S.; Buscemi, M.; Caballero-Mora, K. S.; Caccianiga, L.; Cancio, A.; Canfora, F.; Caramete, L.; Caruso, R.; Castellina, A.; Cataldi, G.; Cazon, L.; Chavez, A. G.; Chinellato, J. A.; Chudoba, J.; Clay, R. W.; Colalillo, R.; Coleman, A.; Collica, L.; Coluccia, M. R.; Conceição, R.; Contreras, F.; Cooper, M. J.; Coutu, S.; Covault, C. E.; Criss, A.; Cronin, J.; D'Amico, S.; Daniel, B.; Dasso, S.; Daumiller, K.; Dawson, B. R.; de Almeida, R. M.; de Jong, S. J.; De Mauro, G.; de Mello Neto, J. R. T.; De Mitri, I.; de Oliveira, J.; de Souza, V.; Debatin, J.; Deligny, O.; Di Giulio, C.; Di Matteo, A.; Díaz Castro, M. L.; Diogo, F.; Dobrigkeit, C.; D'Olivo, J. C.; dos Anjos, R. C.; Dova, M. T.; Dundovic, A.; Ebr, J.; Engel, R.; Erdmann, M.; Erfani, M.; Escobar, C. O.; Espadanal, J.; Etchegoyen, A.; Falcke, H.; Farrar, G.; Fauth, A. C.; Fazzini, N.; Fick, B.; Figueira, J. M.; Filipčič, A.; Fratu, O.; Freire, M. M.; Fujii, T.; Fuster, A.; Gaior, R.; García, B.; Garcia-Pinto, D.; Gaté, F.; Gemmeke, H.; Gherghel-Lascu, A.; Ghia, P. L.; Giaccari, U.; Giammarchi, M.; Giller, M.; Głas, D.; Glaser, C.; Glass, H.; Golup, G.; Gómez Berisso, M.; Gómez Vitale, P. F.; González, N.; Gorgi, A.; Gorham, P.; Gouffon, P.; Grillo, A. F.; Grubb, T. D.; Guarino, F.; Guedes, G. P.; Hampel, M. R.; Hansen, P.; Harari, D.; Harrison, T. A.; Harton, J. L.; Hasankiadeh, Q.; Haungs, A.; Hebbeker, T.; Heck, D.; Heimann, P.; Herve, A. E.; Hill, G. C.; Hojvat, C.; Holt, E.; Homola, P.; Hörandel, J. R.; Horvath, P.; Hrabovský, M.; Huege, T.; Hulsman, J.; Insolia, A.; Isar, P. G.; Jandt, I.; Jansen, S.; Johnsen, J. A.; Josebachuili, M.; Kääpä, A.; Kambeitz, O.; Kampert, K. H.; Kasper, P.; Katkov, I.; Keilhauer, B.; Kemp, E.; Kemp, J.; Kieckhafer, R. M.; Klages, H. O.; Kleifges, M.; Kleinfeller, J.; Krause, R.; Krohm, N.; Kuempel, D.; Kukec Mezek, G.; Kunka, N.; Kuotb Awad, A.; LaHurd, D.; Lauscher, M.; Lebrun, P.; Legumina, R.; Leigui de Oliveira, M. A.; Letessier-Selvon, A.; Lhenry-Yvon, I.; Link, K.; Lopes, L.; López, R.; López Casado, A.; Luce, Q.; Lucero, A.; Malacari, M.; Mallamaci, M.; Mandat, D.; Mantsch, P.; Mariazzi, A. G.; Mariš, I. C.; Marsella, G.; Martello, D.; Martinez, H.; Martínez Bravo, O.; Masías Meza, J. J.; Mathes, H. J.; Mathys, S.; Matthews, J.; Matthews, J. A. J.; Matthiae, G.; Mayotte, E.; Mazur, P. O.; Medina, C.; Medina-Tanco, G.; Melo, D.; Menshikov, A.; Messina, S.; Micheletti, M. I.; Middendorf, L.; Minaya, I. A.; Miramonti, L.; Mitrica, B.; Mockler, D.; Mollerach, S.; Montanet, F.; Morello, C.; Mostafá, M.; Müller, A. L.; Müller, G.; Muller, M. A.; Müller, S.; Mussa, R.; Naranjo, I.; Nellen, L.; Neuser, J.; Nguyen, P. H.; Niculescu-Oglinzanu, M.; Niechciol, M.; Niemietz, L.; Niggemann, T.; Nitz, D.; Nosek, D.; Novotny, V.; Nožka, H.; Núñez, L. A.; Ochilo, L.; Oikonomou, F.; Olinto, A.; Pakk Selmi-Dei, D.; Palatka, M.; Pallotta, J.; Papenbreer, P.; Parente, G.; Parra, A.; Paul, T.; Pech, M.; Pedreira, F.; Pȩkala, J.; Pelayo, R.; Peña-Rodriguez, J.; Pereira, L. A. S.; Perlín, M.; Perrone, L.; Peters, C.; Petrera, S.; Phuntsok, J.; Piegaia, R.; Pierog, T.; Pieroni, P.; Pimenta, M.; Pirronello, V.; Platino, M.; Plum, M.; Porowski, C.; Prado, R. R.; Privitera, P.; Prouza, M.; Quel, E. J.; Querchfeld, S.; Quinn, S.; Ramos-Pollan, R.; Rautenberg, J.; Ravignani, D.; Revenu, B.; Ridky, J.; Risse, M.; Ristori, P.; Rizi, V.; Rodrigues de Carvalho, W.; Rodriguez Fernandez, G.; Rodriguez Rojo, J.; Rogozin, D.; Roncoroni, M. J.; Roth, M.; Roulet, E.; Rovero, A. C.; Ruehl, P.; Saffi, S. J.; Saftoiu, A.; Salazar, H.; Saleh, A.; Salesa Greus, F.; Salina, G.; Sanabria Gomez, J. D.; Sánchez, F.; Sanchez-Lucas, P.; Santos, E. M.; Santos, E.; Sarazin, F.; Sarkar, B.; Sarmento, R.; Sarmiento, C. A.; Sato, R.; Schauer, M.; Scherini, V.; Schieler, H.; Schimp, M.; Schmidt, D.; Scholten, O.; Schovánek, P.; Schröder, F. G.; Schulz, A.; Schulz, J.; Schumacher, J.; Sciutto, S. J.; Segreto, A.; Settimo, M.; Shadkam, A.; Shellard, R. C.; Sigl, G.; Silli, G.; Sima, O.; Śmiałkowski, A.; Šmída, R.; Snow, G. R.; Sommers, P.; Sonntag, S.; Sorokin, J.; Squartini, R.; Stanca, D.; Stanič, S.; Stasielak, J.; Stassi, P.; Strafella, F.; Suarez, F.; Suarez Durán, M.; Sudholz, T.; Suomijärvi, T.; Supanitsky, A. D.; Swain, J.; Szadkowski, Z.; Taboada, A.; Taborda, O. A.; Tapia, A.; Theodoro, V. M.; Timmermans, C.; Todero Peixoto, C. J.; Tomankova, L.; Tomé, B.; Torralba Elipe, G.; Torres Machado, D.; Torri, M.; Travnicek, P.; Trini, M.; Ulrich, R.; Unger, M.; Urban, M.; Valdés Galicia, J. F.; Valiño, I.; Valore, L.; van Aar, G.; van Bodegom, P.; van den Berg, A. M.; van Vliet, A.; Varela, E.; Vargas Cárdenas, B.; Varner, G.; Vázquez, J. R.; Vázquez, R. A.; Veberič, D.; Vergara Quispe, I. D.; Verzi, V.; Vicha, J.; Villaseñor, L.; Vorobiov, S.; Wahlberg, H.; Wainberg, O.; Walz, D.; Watson, A. A.; Weber, M.; Weindl, A.; Wiencke, L.; Wilczyński, H.; Winchen, T.; Wittkowski, D.; Wundheiler, B.; Yang, L.; Yelos, D.; Yushkov, A.; Zas, E.; Zavrtanik, D.; Zavrtanik, M.; Zepeda, A.; Zimmermann, B.; Ziolkowski, M.; Zong, Z.; Zuccarello, F.

2017-02-01

Atmospheric conditions, such as the pressure (P), temperature (T) or air density (ρ propto P/T), affect the development of extended air showers initiated by energetic cosmic rays. We study the impact of the atmospheric variations on the reconstruction of air showers with data from the arrays of surface detectors of the Pierre Auger Observatory, considering separately the one with detector spacings of 1500 m and the one with 750 m spacing. We observe modulations in the event rates that are due to the influence of the air density and pressure variations on the measured signals, from which the energy estimators are obtained. We show how the energy assignment can be corrected to account for such atmospheric effects.

Hydrodynamic water impact. [Apollo spacecraft waterlanding

NASA Technical Reports Server (NTRS)

Kettleborough, C. F.

1972-01-01

The hydrodynamic impact of a falling body upon a viscous incompressible fluid was investigated by numerically solving the equations of motion. Initially the mathematical model simulated the axisymmetric impact of a rigid right circular cylinder upon the initially quiescent free surface of a fluid. A compressible air layer exists between the falling cylinder and the liquid free surface. The mathematical model was developed by applying the Navier-Stokes equations to the incompressible air layer and the incompressible fluid. Assuming the flow to be one dimensional within the air layer, the average velocity, pressure and density distributions were calculated. The liquid free surface was allowed to deform as the air pressure acting on it increases. For the liquid the normalized equations were expressed in two-dimensional cylindrical coordinates. The governing equations for the air layer and the liquid were expressed in finite difference form and solved numerically. For the liquid a modified version of the Marker-and-Cell method was used. The mathematical model has been reexamined and a new approach has recently been initiated. Essentially this consists of examining the impact of an inclined plate onto a quiesent water surface with the equations now formulated in cartesian coordinates.

Areal Mass Oscillations in Planar Targets Due to Feedout: Theory and Simulations.

NASA Astrophysics Data System (ADS)

Velikovich, A. L.; Schmitt, A. J.; Karasik, M.; Obenschain, S. P.; Serlin, V.; Pawley, C. J.; Gardner, J. H.; Aglitskiy, Y.; Metzler, N.

2001-10-01

When a planar shock wave breaks out at a rippled rear surface of a laser-driven target, the lateral pressure gradient in a rippled rarefaction wave propagating back to the front surface causes a lateral mass redistribution that reverses the phase of mass variation. If the driving laser pulse has no foot, then the RT growth, starting when the rarefaction wave reaches the front surface, causes the second phase reversal of mass variation, and continues at the initial phase, as consistently observed in feedout experiments on Nike. A foot of the laser pulse can cause an early phase reversal of mass variation, making the strong shock wave driven by the main pulse interact with a density variation in a rippled rarefaction wave rather than with static rear surface ripples. Theory and simulations predict that this interaction can make the phase of mass variation reverse one or three times. Then the phase of the RT growing mode would be opposite to that of the initial mass variation.

Synthesis of surface-anchored DNA-polymer bioconjugates using reversible addition-fragmentation chain transfer polymerization.

PubMed

He, Peng; He, Lin

2009-07-13

We report here an approach to grafting DNA-polymer bioconjugates on a planar solid support using reversible addition-fragmentation chain transfer (RAFT) polymerization. In particular, a trithiocarbonate compound as the RAFT chain transfer agent (CTA) is attached to the distal point of a surface-immobilized oligonucleotide. Initiation of RAFT polymerization leads to controlled growth of polymers atop DNA molecules on the surface. Growth kinetics of poly(monomethoxy-capped oligo(ethylene glycol) methacrylate) atop DNA molecules is investigated by monitoring the change of polymer film thickness as a function of reaction time. The reaction conditions, including the polymerization temperature, the initiator concentration, the CTA surface density, and the selection of monomers, are varied to examine their impacts on the grafting efficiency of DNA-polymer conjugates. Comparing to polymer growth atop small molecules, the experimental results suggest that DNA molecules significantly accelerate polymer growth, which is speculated as a result of the presence of highly charged DNA backbones and purine/pyrimidine moieties surrounding the reaction sites.

Linking Initial Microstructure to ORR Related Property Degradation in SOFC Cathode: A Phase Field Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lei, Y.; Cheng, T. -L.; Wen, Y. H.

Microstructure evolution driven by thermal coarsening is an important factor for the loss of oxygen reduction reaction rates in SOFC cathode. In this work, the effect of an initial microstructure on the microstructure evolution in SOFC cathode is investigated using a recently developed phase field model. Specifically, we tune the phase fraction, the average grain size, the standard deviation of the grain size and the grain shape in the initial microstructure, and explore their effect on the evolution of the grain size, the density of triple phase boundary, the specific surface area and the effective conductivity in LSM-YSZ cathodes. Itmore » is found that the degradation rate of TPB density and SSA of LSM is lower with less LSM phase fraction (with constant porosity assumed) and greater average grain size, while the degradation rate of effective conductivity can also be tuned by adjusting the standard deviation of grain size distribution and grain aspect ratio. The implication of this study on the designing of an optimal initial microstructure of SOFC cathodes is discussed.« less

Linking Initial Microstructure to ORR Related Property Degradation in SOFC Cathode: A Phase Field Simulation

DOE PAGES

Lei, Y.; Cheng, T. -L.; Wen, Y. H.

2017-07-05

Microstructure evolution driven by thermal coarsening is an important factor for the loss of oxygen reduction reaction rates in SOFC cathode. In this work, the effect of an initial microstructure on the microstructure evolution in SOFC cathode is investigated using a recently developed phase field model. Specifically, we tune the phase fraction, the average grain size, the standard deviation of the grain size and the grain shape in the initial microstructure, and explore their effect on the evolution of the grain size, the density of triple phase boundary, the specific surface area and the effective conductivity in LSM-YSZ cathodes. Itmore » is found that the degradation rate of TPB density and SSA of LSM is lower with less LSM phase fraction (with constant porosity assumed) and greater average grain size, while the degradation rate of effective conductivity can also be tuned by adjusting the standard deviation of grain size distribution and grain aspect ratio. The implication of this study on the designing of an optimal initial microstructure of SOFC cathodes is discussed.« less

High volumetric supercapacitor with a long life span based on polymer dots and graphene sheets

NASA Astrophysics Data System (ADS)

Wei, Ji-Shi; Chen, Jie; Ding, Hui; Zhang, Peng; Wang, Yong-Gang; Xiong, Huan-Ming

2017-10-01

A series of polymer dots/graphene sheets composites with high densities are prepared and tested for supercapacitors. Polymer dots (PDs) are synthesized by one-step method at room temperature. They can effectively increase surface areas of the composites (almost 10 times), and the functional groups from PDs produce high pseudocapacitance, so that the samples exhibit high specific capacitances (e. g., 364.2 F cm-3 at 1 A g-1) and high cycling stability (e. g., more than 95% of the initial capacity retention over 10 000 cycles at different current densities). The optimal sample is employed to fabricate a symmetric supercapacitor, which exhibits an energy density up to 8 Wh L-1 and a power density up to 11 800 W L-1, respectively.

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

PubMed Central

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; Celio, Hugo; Park, Suhyeon; Cho, Jaephil; Manthiram, Arumugam

2017-01-01

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries. PMID:28443608

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

NASA Astrophysics Data System (ADS)

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; Celio, Hugo; Park, Suhyeon; Cho, Jaephil; Manthiram, Arumugam

2017-04-01

Undesired electrode-electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.

Immobilization of Active Bacteriophages on Polyhydroxyalkanoate Surfaces.

PubMed

Wang, Chanchan; Sauvageau, Dominic; Elias, Anastasia

2016-01-20

A rapid, efficient technique for the attachment of bacteriophages (phages) onto polyhydroxyalkanoate (PHA) surfaces has been developed and compared to three reported methods for phage immobilization. Polymer surfaces were modified to facilitate phage attachment using (1) plasma treatment alone, (2) plasma treatment followed by activation by 1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide hydrochloride (EDC) and N-hydroxysulfosuccinimide (sulfo-NHS), (3) plasma-initiated acrylic acid grafting, or (4) plasma-initiated acrylic acid grafting with activation by EDC and sulfo-NHS. The impact of each method on the surface chemistry of PHA was investigated using contact angle analysis and X-ray photoelectron spectroscopy. Each of the four treatments was shown to result in both increased hydrophilicity and in the modification of the surface functional groups. Modified surfaces were immersed in suspensions of phage T4 for immobilization. The highest level of phage binding was observed for the surfaces modified by plasma treatment alone. The change in chemical bond states observed for surfaces that underwent plasma treatment is suspected to be the cause of the increased binding of active phages. Plasma-treated surfaces were further analyzed through phage-staining and fluorescence microscopy to assess the surface density of immobilized phages and their capacity to capture hosts. The infective capability of attached phages was confirmed by exposing the phage-immobilized surfaces to the host bacteria Escherichia coli in both plaque and infection dynamic assays. Plasma-treated surfaces with immobilized phages displayed higher infectivity than surfaces treated with other methods; in fact, the equivalent initial multiplicity of infection was 2 orders of magnitude greater than with other methods. Control samples - prepared by immersing polymer surfaces in phage suspensions (without prior plasma treatment) - did not show any bacterial growth inhibition, suggesting they did not bind phages from the suspension.

Fire performances of foam core particleboards continuously produced in a one-step process

Treesearch

Ali Shalbafan; Mark A. Dietenberger; Johannes Welling

2013-01-01

For further progress of novel foam core particleboards, their fire performance was examined with cone calorimetry tests (ASTM E 1354-11a). Specimens with varying surface layer thicknesses, foam densities (polystyrene foam), and processing temperatures were tested. Using the initially recommended cone irradiance of 35 kW/m2, different flammability...

From well-defined Pt(II) surface species to the controlled growth of silica supported Pt nanoparticles.

PubMed

Laurent, Pierre; Veyre, Laurent; Thieuleux, Chloé; Donet, Sébastien; Copéret, Christophe

2013-01-07

Silica-supported Pt nanoparticles were prepared from well-defined surface platinum(II) surface species, obtained by grafting of well-defined Pt(II) molecular precursors with specific ligands (Cl, Me, N(SiMe(3))(2), OSi(OtBu)(3)) onto silica partially dehydroxylated at 200 and 700 °C yielding well-defined platinum(II) surface species. This approach allowed for testing the effect of Pt density and ligands on nanoparticle size. Higher grafting densities are achieved on silica partially dehydroxylated at 200 °C due to its initially higher surface silanol density. Surface species have been synthesized from symmetrical and dissymmetrical complexes, namely (COD)Pt(Me)(2), (COD)Pt(OSi(OtBu)(3))(2), (COD)Pt(Me)(OSi(OtBu)(3)), (COD)Pt(Me)(N(SiMe(3))(2)), (COD)Pt(Cl)(N(SiMe(3))(2)) and (COD)Pt(N(SiMe(3))(2))(OSi(OtBu)(3)) yielding mono-grafted complexes of general formula (COD)Pt(R)(OSi≡) according to elemental analyses, diffuse reflectance infrared fourier transform (DRIFT) and carbon-13 solid-state nuclear magnetic resonance (NMR) spectroscopies. While the dimethyl-complex shows low reactivity towards grafting, bis-siloxy and dissymmetric complexes demonstrate better reactivity yielding platinum loadings up to 7.4 wt%. Upon grafting amido complexes, the surface passivation yielding Me(3)SiOSi≡ surface species is demonstrated. Nanoparticles have been synthesized from these well-defined surface species by reduction under H(2) at 300 °C, under static or flow conditions. This process yields nanoparticles with sizes ranging from 2 to 3.3 nm and narrow size dispersion from 0.5 to 1.2 nm. Interestingly, the chloride complex yields large nanoparticles from 5 to 40 nm demonstrating the strong influence of chloride over the nanoparticles growth.

The effect of laser focus and process parameters on microstructure and mechanical properties of SLM Inconel 718

NASA Astrophysics Data System (ADS)

Bean, Glenn E.; Witkin, David B.; McLouth, Tait D.; Zaldivar, Rafael J.

2018-02-01

Research on the selective laser melting (SLM) method of laser powder bed fusion additive manufacturing (AM) has shown that surface and internal quality of AM parts is directly related to machine settings such as laser energy density, scanning strategies, and atmosphere. To optimize laser parameters for improved component quality, the energy density is typically controlled via laser power, scanning rate, and scanning strategy, but can also be controlled by changing the spot size via laser focal plane shift. Present work being conducted by The Aerospace Corporation was initiated after observing inconsistent build quality of parts printed using OEM-installed settings. Initial builds of Inconel 718 witness geometries using OEM laser parameters were evaluated for surface roughness, density, and porosity while varying energy density via laser focus shift. Based on these results, hardware and laser parameter adjustments were conducted in order to improve build quality and consistency. Tensile testing was also conducted to investigate the effect of build plate location and laser settings on SLM 718. This work has provided insight into the limitations of OEM parameters compared with optimized parameters towards the goal of manufacturing aerospace-grade parts, and has led to the development of a methodology for laser parameter tuning that can be applied to other alloy systems. Additionally, evidence was found that for 718, which derives its strength from post-manufacturing heat treatment, there is a possibility that tensile testing may not be perceptive to defects which would reduce component performance. Ongoing research is being conducted towards identifying appropriate testing and analysis methods for screening and quality assurance.

Simulation on the dynamic charge behavior of vacuum flashover developing across insulator involving outgassing

NASA Astrophysics Data System (ADS)

Sun, Guang-Yu; Guo, Bao-Hong; Song, Bai-Peng; Su, Guo-Qiang; Mu, Hai-Bao; Zhang, Guan-Jun

2018-06-01

A 2D simulation based on particle-in-cell and Monte Carlo collision algorithm is implemented to investigate the accumulation and dissipation of surface charges on an insulator during flashover with outgassing in vacuum. A layer of positive charges is formed on the insulator after the secondary electrons emission (SEE) reaches saturation. With the build-up of local pressure resulting from gas desorption, the incident energy of electrons is affected by electron-neutral collisions and field distortion, remarkably decreasing the charge density on the insulator. Gas desorption ionization initiates near the anode, culminating, and then abates, followed by a steady and gradual augmentation as the negatively charged surface spreads towards the cathode and halts the SEE nearby. The initiation of flashover development is discussed in detail, and a subdivision of flashover development is proposed, including an anode-initiated desorption ionization avalanche, establishment of a plasma sheath, and plasma expansion. The transform from saturation to explosion of space charges and dissipation of the surface charge are revealed, which can be explained by the competition between multipactor electrons and ionized electrons.

Resonant generation of internal waves on the soft sea bed by a surface water wave

NASA Astrophysics Data System (ADS)

Wen, Feng

1995-08-01

The nonlinear response of an initially flat sea bed to a monochromatic surface progressive wave was studied using the multiple scale perturbation method. Two opposite-traveling subliminal internal ``mud'' waves are selectively excited and form a resonant triad with the surface wave. The amplitudes of the internal waves grow on a time scale much longer than the period of the surface wave. It was found that the sea bed response is critically dependent on the density ratio of water and soil, depth of water, and depth and viscosity of the saturated soil. The result of instability analysis is in qualitative agreement with the result of a wave flume experiment.

Nano-textured fluidic biochip as biological filter for selective survival of neuronal cells.

PubMed

Han, Hsieh-Cheng; Lo, Hung-Chun; Wu, Chia-Yu; Chen, Kuei-Hsien; Chen, Li-Chyong; Ou, Keng-Liang; Hosseinkhani, Hossein

2015-06-01

This is an innovative study to engineer biological filter to evaluate the effect of template surface structure and physiochemical properties that can be used for wide variety of applications in biological, health care as well as environmental protection. Specifically, planar silicon (Si) wafer and arrayed Si nano-tips (SiNT) templates were fabricated and coated with gold for various lengths of time to study the effect of surface charge, surface roughness, and hydrophilicity on biological activity of rat pheochromocytoma cell lines PC12. The initial growth and proliferation of PC12 cells on Si and SiNT templates showed an antipathy for the ultra-sharp SiNTs templates. In contrast, the same cells demonstrated a preferable adherence to and proliferation on planar Si templates, resulting in higher cell densities by three orders of magnitude than those on SiNT templates. It is hypothesized that SiNTs array does generate nano-fluidic effect such that the effective contact region for aqueous solution on SiNTs is lower than that on planar Si templates, thus decreasing adsorbable area for cell viability and survival. Moreover, the effect of the gold coating on cell number density was analyzed in terms of the surface roughness, zeta potential and wetting properties of the templates. It was determined that surface charge, as measured by the zeta potential, strongly correlated with the trend observed in the surface cell density, whereas no such correlation was observed for surface roughness or wetting properties in the ranges of our experiment conditions. © 2014 Wiley Periodicals, Inc.

Comparison of ONIX simulation results with experimental data from the BATMAN testbed for the study of negative ion extraction

NASA Astrophysics Data System (ADS)

Mochalskyy, Serhiy; Fantz, Ursel; Wünderlich, Dirk; Minea, Tiberiu

2016-10-01

The development of negative ion (NI) sources for the ITER neutral beam injector is strongly accompanied by modelling activities. The ONIX (Orsay Negative Ion eXtraction) code simulates the formation and extraction of negative hydrogen ions and co-extracted electrons produced in caesiated sources. In this paper the 3D geometry of the BATMAN extraction system, and the source characteristics such as the extraction and bias potential, and the 3D magnetic field were integrated in the model. Calculations were performed using plasma parameters experimentally obtained on BATMAN. The comparison of the ONIX calculated extracted NI density with the experimental results suggests that predictive calculations of the extraction of NIs are possible. The results show that for an ideal status of the Cs conditioning the extracted hydrogen NI current density could reach ~30 mA cm-2 at 10 kV and ~20 mA cm-2 at 5 kV extraction potential, with an electron/NI current density ratio of about 1, as measured in the experiments under the same plasma and source conditions. The dependency of the extracted NI current on the NI density in the bulk plasma region from both the modeling and the experiment was investigated. The separate distributions composing the NI beam originating from the plasma bulk region and the PG surface are presented for different NI plasma volume densities and NI emission rates from the plasma grid (PG) wall, respectively. The extracted current from the NIs produced at the Cs covered PG surface, initially moving towards the bulk plasma and then being bent towards the extraction surfaces, is lower compared to the extracted NI current from directly extracted surface produced ions.

The Importance of Submesoscale Versus Basin-scale Processes in Driving the Subpolar Spring Phytoplankton Bloom.

NASA Astrophysics Data System (ADS)

Brody, S.; Mahadevan, A.; Lozier, M. S.

2014-12-01

The subpolar spring phytoplankton bloom has important consequences for marine ecosystems and the carbon cycle. The timing of the bloom has been conceived of as a basin-scale event: as the ocean warms, the seasonal mixed layer shoals, restricting phytoplankton to shallower depths and increasing available light to a level at which the bloom can begin. Recent studies have highlighted the importance of localized phenomena in driving the bloom initiation. Specifically, the role of lateral density gradients in generating <10km instabilities in the upper ocean, which then stratify the mixed layer before surface heating begins, has been explored with a process study model and fine-scale observations from a field program to study the North Atlantic spring bloom [1]. However, an alternative hypothesis has recently been validated at both the small scale, using the same observational data [2], and at the basin scale, using remote sensing data [3]. According to this hypothesis, blooms begin when surface heat fluxes weaken, mixing shifts from primarily convectively-driven to primarily wind-driven, and the depth of active mixing in the upper ocean consequently decreases. Here, we compare the importance of the barriers to mixing presented by submesoscale instabilities with the decreases in mixing depth caused by changes in surface forcing in driving the initiation of the spring bloom prior to the onset of surface heating. To make this comparison, we use a Lagrangian framework to track the light history of particles seeded in a high-resolution numerical model that we initialize with various surface forcing scenarios, and with and without lateral density gradients. Because the model parameterizes convection with convective adjustment, we present two methodologies to account for turbulent mixing processes that utilize observations of turbulent vertical mixing from a Lagrangian float. We present conclusions on whether and how submesoscale processes affect bloom initiation under varied surface forcing conditions in the context of whether the timing of the subpolar phytoplankton bloom can be thought of as a basin-scale or submesoscale phenomenon. [1] A. Mahadevan et al.. Science 337, 6090 (2012). [2] Brody, S.R. and Lozier, M.S. (under review, ICES J. Mar. Sci) [3] Brody, S.R. and Lozier, M.S. Geophys. Res. Lett. 41, (2014).

Chlorine adsorption on the InAs (001) surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bakulin, A. V.; Eremeev, S. V.; Tereshchenko, O. E.

2011-01-15

Chlorine adsorption on the In-stabilized InAs(001) surface with {zeta}-(4 Multiplication-Sign 2) and {beta}3 Prime -(4 Multiplication-Sign 2) reconstructions and on the Ga-stabilized GaAs (001)-{zeta}-(4 Multiplication-Sign 2) surface has been studied within the electron density functional theory. The equilibrium structural parameters of these reconstructions, surface atom positions, bond lengths in dimers, and their changes upon chlorine adsorption are determined. The electronic characteristics of the clean surface and the surface with adsorbed chlorine are calculated. It is shown that the most energetically favorable positions for chlorine adsorption are top positions over dimerized indium or gallium atoms. The mechanism of chlorine binding withmore » In(Ga)-stabilized surface is explained. The interaction of chlorine atoms with dimerized surface atoms weakens surface atom bonds and controls the initial stage of surface etching.« less

Surface supported gold-organic hybrids: on-surface synthesis and surface directed orientation.

PubMed

Zhang, Haiming; Franke, Jörn-Holger; Zhong, Dingyong; Li, Yan; Timmer, Alexander; Arado, Oscar Díaz; Mönig, Harry; Wang, Hong; Chi, Lifeng; Wang, Zhaohui; Müllen, Klaus; Fuchs, Harald

2014-04-09

The surface-assisted synthesis of gold-organic hybrids on Au (111) and Au (100) surfaces is repotred by thermally initiated dehalogenation of chloro-substituted perylene-3,4,9,10-tetracarboxylic acid bisimides (PBIs). Structures and surface-directed alignment of the Au-PBI chains are investigated by scanning tunnelling microscopy in ultra high vacuum conditions. Using dichloro-PBI as a model system, the mechanism for the formation of Au-PBI dimer is revealed with scanning tunnelling microscopy studies and density functional theory calculations. A PBI radical generated from the homolytic C-Cl bond dissociation can covalently bind a surface gold atom and partially pull it out of the surface to form stable PBI-Au hybrid species, which also gives rise to the surface-directed alignment of the Au-PBI chains on reconstructed Au (100) surfaces. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Intensive MHD-structures penetration in the middle atmosphere initiated in the ionospheric cusp under quiet geomagnetic conditions

NASA Technical Reports Server (NTRS)

Mateev, L. N.; Nenovski, P. I.; Vellinov, P. I.

1989-01-01

In connection with the recently detected quasiperiodical magnetic disturbances in the ionospheric cusp, the penetration of compressional surface magnetohydrodynamic (MHD) waves through the middle atmosphere is modelled numerically. For the COSPAR International Reference Atmosphere (CIRA) 72 model the respective energy density flux of the disturbances in the middle atmosphere is determined. On the basis of the developed model certain conclusions are reached about the height distribution of the structures (energy losses, currents, etc.) initiated by intensive magnetic cusp disturbances.

Lithium electrodeposition dynamics in aprotic electrolyte observed in situ via transmission electron microscopy

DOE PAGES

Leenheer, Andrew Jay; Jungjohann, Katherine Leigh; Zavadil, Kevin Robert; ...

2015-03-18

Electrodeposited metallic lithium is an ideal negative battery electrode, but nonuniform microstructure evolution during cycling leads to degradation and safety issues. A better understanding of the Li plating and stripping processes is needed to enable practical Li-metal batteries. Here we use a custom microfabricated, sealed liquid cell for in situ scanning transmission electron microscopy (STEM) to image the first few cycles of lithium electrodeposition/dissolution in liquid aprotic electrolyte at submicron resolution. Cycling at current densities from 1 to 25 mA/cm 2 leads to variations in grain structure, with higher current densities giving a more needle-like, higher surface area deposit. Themore » effect of the electron beam was explored, and it was found that, even with minimal beam exposure, beam-induced surface film formation could alter the Li microstructure. The electrochemical dissolution was seen to initiate from isolated points on grains rather than uniformly across the Li surface, due to the stabilizing solid electrolyte interphase surface film. As a result, we discuss the implications for operando STEM liquid-cell imaging and Li-battery applications.« less

Reduction and shaping of graphene-oxide by laser-printing for controlled bone tissue regeneration and bacterial killing

NASA Astrophysics Data System (ADS)

Palmieri, Valentina; Barba, Marta; Di Pietro, Lorena; Gentilini, Silvia; Chiara Braidotti, Maria; Ciancico, Carlotta; Bugli, Francesca; Ciasca, Gabriele; Larciprete, Rosanna; Lattanzi, Wanda; Sanguinetti, Maurizio; De Spirito, Marco; Conti, Claudio; Papi, Massimiliano

2018-01-01

Graphene and graphene oxide (GO) are capable of inducing stem cells differentiation into bone tissue with variable efficacy depending on reductive state of the material. Thus, modulation of osteogenic process and of bone mineral density distribution is theoretically possible by controlling the GO oxidative state. In this study, we laser-printed GO surfaces in order to obtain both a local photo-thermal GO reduction and the formation of nano-wrinkles along precise geometric pattern. Initially, after cells adhered on the surface, stem cells migrated and accumulated on the reduced and wrinkled surface. When the local density of the stem cells on the reduced stripes was high, cells started to proliferate and occupy the oxidized/flat area. The designed surfaces morphology guided stem cell orientation and the reduction accelerated differentiation. Furthermore the reduced sharp nano-wrinkles were able to enhance the GO antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA), a common cause of prosthetic joints infections. This strategy can offer a revolution in present and future trends of scaffolds design for regenerative medicine.

Properties of model atomic free-standing thin films.

PubMed

Shi, Zane; Debenedetti, Pablo G; Stillinger, Frank H

2011-03-21

We present a computational study of the thermodynamic, dynamic, and structural properties of free-standing thin films, investigated via molecular dynamics simulation of a glass-forming binary Lennard-Jones mixture. An energy landscape analysis is also performed to study glassy states. At equilibrium, species segregation occurs, with the smaller minority component preferentially excluded from the surface. The film's interior density and interface width depend solely on temperature and not the initialization density. The atoms at the surface of the film have a higher lateral diffusivity when compared to the interior. The average difference between the equilibrium and inherent structure energies assigned to individual particles, as a function of the distance from the center of the film, increases near the surface. A minimum of this difference occurs in the region just under the liquid-vapor interface. This suggests that the surface atoms are able to sample the underlying energy landscape more effectively than those in the interior, and we suggest a possible relationship of this observation to the recently reported formation of stable glasses by vapor phase deposition.

Photoinitiator Nucleotide for Quantifying Nucleic Acid Hybridization

PubMed Central

Johnson, Leah M.; Hansen, Ryan R.; Urban, Milan; Kuchta, Robert D.; Bowman, Christopher N.

2010-01-01

This first report of a photoinitiator-nucleotide conjugate demonstrates a novel approach for sensitive, rapid and visual detection of DNA hybridization events. This approach holds potential for various DNA labeling schemes and for applications benefiting from selective DNA-based polymerization initiators. Here, we demonstrate covalent, enzymatic incorporation of an eosin-photoinitiator 2′-deoxyuridine-5′-triphosphate (EITC-dUTP) conjugate into surface-immobilized DNA hybrids. Subsequent radical chain photoinitiation from these sites using an acrylamide/bis-acrylamide formulation yields a dynamic detection range between 500pM and 50nM of DNA target. Increasing EITC-nucleotide surface densities leads to an increase in surface-based polymer film heights until achieving a film height plateau of 280nm ±20nm at 610 ±70 EITC-nucleotides/μm2. Film heights of 10–20 nm were obtained from eosin surface densities of approximately 20 EITC-nucleotides/μm2 while below the detection limit of ~10 EITC-nucleotides/μm2, no detectable films were formed. This unique threshold behavior is utilized for instrument-free, visual quantification of target DNA concentration ranges. PMID:20337438

Colony Expansion of Socially Motile Myxococcus xanthus Cells Is Driven by Growth, Motility, and Exopolysaccharide Production

PubMed Central

Patra, Pintu; Kissoon, Kimberley; Cornejo, Isabel; Kaplan, Heidi B.; Igoshin, Oleg A.

2016-01-01

Myxococcus xanthus, a model organism for studies of multicellular behavior in bacteria, moves exclusively on solid surfaces using two distinct but coordinated motility mechanisms. One of these, social (S) motility is powered by the extension and retraction of type IV pili and requires the presence of exopolysaccharides (EPS) produced by neighboring cells. As a result, S motility requires close cell-to-cell proximity and isolated cells do not translocate. Previous studies measuring S motility by observing the colony expansion of cells deposited on agar have shown that the expansion rate increases with initial cell density, but the biophysical mechanisms involved remain largely unknown. To understand the dynamics of S motility-driven colony expansion, we developed a reaction-diffusion model describing the effects of cell density, EPS deposition and nutrient exposure on the expansion rate. Our results show that at steady state the population expands as a traveling wave with a speed determined by the interplay of cell motility and growth, a well-known characteristic of Fisher’s equation. The model explains the density-dependence of the colony expansion by demonstrating the presence of a lag phase–a transient period of very slow expansion with a duration dependent on the initial cell density. We propose that at a low initial density, more time is required for the cells to accumulate enough EPS to activate S-motility resulting in a longer lag period. Furthermore, our model makes the novel prediction that following the lag phase the population expands at a constant rate independent of the cell density. These predictions were confirmed by S motility experiments capturing long-term expansion dynamics. PMID:27362260

Colony Expansion of Socially Motile Myxococcus xanthus Cells Is Driven by Growth, Motility, and Exopolysaccharide Production.

PubMed

Patra, Pintu; Kissoon, Kimberley; Cornejo, Isabel; Kaplan, Heidi B; Igoshin, Oleg A

2016-06-01

Myxococcus xanthus, a model organism for studies of multicellular behavior in bacteria, moves exclusively on solid surfaces using two distinct but coordinated motility mechanisms. One of these, social (S) motility is powered by the extension and retraction of type IV pili and requires the presence of exopolysaccharides (EPS) produced by neighboring cells. As a result, S motility requires close cell-to-cell proximity and isolated cells do not translocate. Previous studies measuring S motility by observing the colony expansion of cells deposited on agar have shown that the expansion rate increases with initial cell density, but the biophysical mechanisms involved remain largely unknown. To understand the dynamics of S motility-driven colony expansion, we developed a reaction-diffusion model describing the effects of cell density, EPS deposition and nutrient exposure on the expansion rate. Our results show that at steady state the population expands as a traveling wave with a speed determined by the interplay of cell motility and growth, a well-known characteristic of Fisher's equation. The model explains the density-dependence of the colony expansion by demonstrating the presence of a lag phase-a transient period of very slow expansion with a duration dependent on the initial cell density. We propose that at a low initial density, more time is required for the cells to accumulate enough EPS to activate S-motility resulting in a longer lag period. Furthermore, our model makes the novel prediction that following the lag phase the population expands at a constant rate independent of the cell density. These predictions were confirmed by S motility experiments capturing long-term expansion dynamics.

Flux canceling in three-dimensional radiative magnetohydrodynamic simulations

NASA Astrophysics Data System (ADS)

Thaler, Irina; Spruit, H. C.

2017-05-01

We aim to study the processes involved in the disappearance of magnetic flux between regions of opposite polarity on the solar surface using realistic three-dimensional (3D) magnetohydrodynamic (MHD) simulations. "Retraction" below the surface driven by magnetic forces is found to be a very effective mechanism of flux canceling of opposite polarities. The speed at which flux disappears increases strongly with initial mean flux density. In agreement with existing inferences from observations we suggest that this is a key process of flux disappearance within active complexes. Intrinsic kG strength concentrations connect the surface to deeper layers by magnetic forces, and therefore the influence of deeper layers on the flux canceling process is studied. We do this by comparing simulations extending to different depths. For average flux densities of 50 G, and on length scales on the order of 3 Mm in the horizontal and 10 Mm in depth, deeper layers appear to have only a mild influence on the effective rate of diffusion.

Comparing goblet cell densities in patients wearing disposable hydrogel contact lenses versus silicone hydrogel contact lenses in an extended-wear modality.

PubMed

Lievens, Christopher W; Connor, Charles G; Murphy, Heather

2003-10-01

The current study evaluates the response of the ocular surface to extended contact lens wear by comparing a new silicone hydrogel lens to an ACUVUE 2 lens. Twenty subjects with an average age of 28 years were randomly assigned to a fitting with ACUVUE 2 or PureVision lenses. Ocular surface assessment by impression cytology was performed at baseline and for the 6 months after initiation of lens wear. Although goblet cell density significantly increased with wear time, no statistically significant difference was observed between the contact lens groups. The average baseline goblet cell percentages were as follows: ACUVUE 2 group, 1.44; PureVision group, 1.11. The 6-month averages were as follows: ACUVUE 2 group, 3.16; PureVision group, 2.22. It appears that silicone hydrogel lenses may be slightly less irritating to the ocular surface than lenses not containing silicone. This could be a promising indicator for successful 30-day continuous wear.

Effect of Entomopathogenic Nematodes on Mesocriconema xenoplax Populations in Peach and Pecan

PubMed Central

Nyczepir, A. P.; Shapiro-Ilan, D. I.; Lewis, E. E.; Handoo, Z. A.

2004-01-01

The effect of Steinernema riobrave and Heterorhabditis bacteriophora on population density of Mesocriconema xenoplax in peach was studied in the greenhouse. Twenty-one days after adding 112 M. xenoplax adults and juveniles/1,500 cm³ soil to the soil surface of each pot, 50 infective juveniles/cm² soil surface of either S. riobrave or H. bacteriophora were applied. Another entomopathogenic nematode application of the same density was administered 3 months later. The experiment was repeated once. Mesocriconema xenoplax populations were not suppressed (P ≤ 0.05) in the presence of either S. riobrave or H. bacteriophora 180 days following ring nematode inoculation. On pecan, 200 S. riobrave infective-stage juveniles/cm² were applied to the soil surface of 2-year-old established M. xenoplax populations in field microplots. Additional applications of S. riobrave were administered 2 and 4 months later. This study was terminated 150 days following the initial application of S. riobrave. Populations of M. xenoplax were not suppressed in the presence of S. riobrave. PMID:19262805

Effect of Entomopathogenic Nematodes on Mesocriconema xenoplax Populations in Peach and Pecan.

PubMed

Nyczepir, A P; Shapiro-Ilan, D I; Lewis, E E; Handoo, Z A

2004-06-01

The effect of Steinernema riobrave and Heterorhabditis bacteriophora on population density of Mesocriconema xenoplax in peach was studied in the greenhouse. Twenty-one days after adding 112 M. xenoplax adults and juveniles/1,500 cm(3) soil to the soil surface of each pot, 50 infective juveniles/cm(2) soil surface of either S. riobrave or H. bacteriophora were applied. Another entomopathogenic nematode application of the same density was administered 3 months later. The experiment was repeated once. Mesocriconema xenoplax populations were not suppressed (P

Excess electrons in ice: a density functional theory study.

PubMed

Bhattacharya, Somesh Kr; Inam, Fakharul; Scandolo, Sandro

2014-02-21

We present a density functional theory study of the localization of excess electrons in the bulk and on the surface of crystalline and amorphous water ice. We analyze the initial stages of electron solvation in crystalline and amorphous ice. In the case of crystalline ice we find that excess electrons favor surface states over bulk states, even when the latter are localized at defect sites. In contrast, in amorphous ice excess electrons find it equally favorable to localize in bulk and in surface states which we attribute to the preexisting precursor states in the disordered structure. In all cases excess electrons are found to occupy the vacuum regions of the molecular network. The electron localization in the bulk of amorphous ice is assisted by its distorted hydrogen bonding network as opposed to the crystalline phase. Although qualitative, our results provide a simple interpretation of the large differences observed in the dynamics and localization of excess electrons in crystalline and amorphous ice films on metals.

An Hsp70 peptide initiates NK cell killing of leukemic blasts after stem cell transplantation.

PubMed

Gross, Catharina; Holler, Ernst; Stangl, Stefan; Dickinson, Anne; Pockley, A Graham; Asea, Alexzander A; Mallappa, Nagaraja; Multhoff, Gabriele

2008-04-01

In contrast to solid tumors, leukemic blasts frequently present both Hsp70 and HLA-E on their cell surface and thereby present activating and inhibitory signals to CD94(+) NK cells. In the first 12 months after stem cell transplantation (SCT) CD94(+) NK cells clearly dominate over CD3(+)/CD16(-)/56(-) T and CD3(+)/CD16(+)/56(+) NK-like T cells. An incubation of post-SCT-derived peripheral blood lymphocytes with the Hsp70 peptide TKD and IL-15 enhances the cell surface density of CD56/CD94 and initiates the cytolytic activity of NK cells against Hsp70/HLA-E double-positive autologous and allogeneic leukemic blasts. Hsp70 was identified as the target structure for TKD-activated NK cells.

Impact of atmospheric effects on the energy reconstruction of air showers observed by the surface detectors of the Pierre Auger Observatory

DOE PAGES

Aab, A.; Abreu, P.; Aglietta, M.; ...

2017-02-07

Atmospheric conditions, such as the pressure (P), temperature (T) or air density (more » $$\\rho \\propto P/T$$), affect the development of extended air showers initiated by energetic cosmic rays. We study the impact of the atmospheric variations on the reconstruction of air showers with data from the arrays of surface detectors of the Pierre Auger Observatory, considering separately the one with detector spacings of 1500 m and the one with 750 m spacing. We observe modulations in the event rates that are due to the influence of the air density and pressure variations on the measured signals, from which the energy estimators are obtained. Lastly, we show how the energy assignment can be corrected to account for such atmospheric effects.« less

Hydrodeoxygenation of phenol to benzene and cyclohexane on Rh(111) and Rh(211) surfaces: Insights from density functional theory

DOE PAGES

Garcia-Pintos, Delfina; Voss, Johannes; Jensen, Anker D.; ...

2016-07-22

Herein we describe the C–O cleavage of phenol and cyclohexanol over Rh(111) and Rh(211) surfaces using density functional theory calculations. Our analysis is complemented by a microkinetic model of the reactions, which indicates that the C–O bond cleavage of cyclohexanol is easier than that of phenol and that Rh(211) is more active than Rh(111) for both reactions. This indicates that phenol will react mainly following a pathway of initial hydrogenation to cyclohexanol followed by hydrodeoxygenation to cyclohexane. In conclusion, we show that there is a general relationship between the transition state and the final state of both C–O cleavage reactions,more » and that this relationship is the same for Rh(111) and Rh(211).« less

Impact of atmospheric effects on the energy reconstruction of air showers observed by the surface detectors of the Pierre Auger Observatory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aab, A.; Abreu, P.; Aglietta, M.

Atmospheric conditions, such as the pressure (P), temperature (T) or air density (more » $$\\rho \\propto P/T$$), affect the development of extended air showers initiated by energetic cosmic rays. We study the impact of the atmospheric variations on the reconstruction of air showers with data from the arrays of surface detectors of the Pierre Auger Observatory, considering separately the one with detector spacings of 1500 m and the one with 750 m spacing. We observe modulations in the event rates that are due to the influence of the air density and pressure variations on the measured signals, from which the energy estimators are obtained. Lastly, we show how the energy assignment can be corrected to account for such atmospheric effects.« less

Method and apparatus for reducing coherence of high-power laser beams

DOEpatents

Moncur, Norman K.; Mayer, Frederick J.

1978-01-01

Method and apparatus for reducing the coherence and for smoothing the power density profile of a collimated high-power laser beam in which the beam is focused at a point on the surface of a target fabricated of material having a low atomic number. The initial portion of the focused beam heats the material to form a hot reflective plasma at the material surface. The remaining, major portion of the focused beam is reflected by the plasma and recollected to form a collimated beam having reduced beam coherence.

Diamond heteroepitaxial lateral overgrowth

DOE PAGES

Tang, Y. -H.; Bi, B.; Golding, B.

2015-02-24

A method of diamond heteroepitaxial lateral overgrowth is demonstrated which utilizes a photolithographic metal mask to pattern a thin (001) epitaxial diamond surface. Significant structural improvement was found, with a threading dislocation density reduced by two orders of magnitude at the top surface of a thick overgrown diamond layer. In the initial stage of overgrowth, a reduction of diamond Raman linewidth in the overgrown area was also realized. Thermally-induced stress and internal stress were determined by Raman spectroscopy of adhering and delaminated diamond films. As a result, the internal stress is found to decrease as sample thickness increases.

Albumin-mediated deposition of bone-like apatite onto nano-sized surfaces: Effect of surface reactivity and interfacial hydration.

PubMed

D'Elia, Noelia L; Gravina, Noel; Ruso, Juan M; Marco-Brown, Jose L; Sieben, Juan M; Messina, Paula V

2017-05-15

The bioactivity of an implant is displayed on its ability to induce heterogeneous nucleation of biogenic apatite onto its surface upon immersion in body fluids; forming, through this layer, a stable bond with the host tissue. The present article evaluates the bioactivity of different nanostructured substrates based on synthetic hydroxyapatite (HA) and titania (TiO 2 ) nanoparticles, where we extend the debate regarding the selective roles played by the presence of albumin on the biogenic apatite coating evolution. The substrates bone-bonding potential was evaluated by keeping the materials in contact with Simulated Body Fluid, while the influence of the presence of Bovine Serum Albumin in bioactivity was analyzed by a spectrophotometric technique. Our results show that materials' surface reactivity and their interfacial hydration are responsible for the bonding-site alteration and surface charge density distribution, which in turn, regulate the protein adsorption process. As a matter of fact, variations on the protein adsorbed density have a directly proportional impact on calcium binding sites, which should be responsible for the initiation of the mineralization process, disturbing the deposition of the interfacial calcium phosphate (Ca-P) mineralized coating. Copyright © 2017 Elsevier Inc. All rights reserved.

Characterization of chemical interactions during chemical mechanical polishing (CMP) of copper

NASA Astrophysics Data System (ADS)

Lee, Seung-Mahn

2003-10-01

Chemical mechanical polishing (CMP) has received much attention as an unique technique to provide a wafer level planarization in semiconductor manufacturing. However, despite the extensive use of CMP, it still remains one of the least understood areas in semiconductor processing. The lack of the fundamental understanding is a significant barrier to further advancements in CMP technology. One critical aspect of metal CMP is the formation of a thin surface layer on the metal surface. The formation and removal of this layer controls all the aspects of the CMP process, including removal rate, surface finish, etc. In this dissertation, we focus on the characterization of the formation and removal of the thin surface layer on the copper surface. The formation dynamics was investigated using static and dynamic electrochemical techniques, including potentiodynamic scans and chronoamperometry. The results were validated using XPS measurements. The mechanical properties of the surface layer were investigated using nanoindentation measurements. The electrochemical investigation showed that the thickness of the surface layer is controlled by the chemicals such as an oxidizer (hydrogen peroxide), a corrosion inhibitor (benzotriazole), a complexing agent (citric acid), and their concentrations. The dynamic electrochemical measurements indicated that the initial layer formation kinetics is unaffected by the corrosion inhibitors. The passivation due to the corrosion inhibitor becomes important only on large time scales (>200 millisecond). The porosity and the density of the chemically modified surface layer can be affected by additives of other chemicals such as citric acid. An optimum density of the surface layer is required for high polishing rate while at the same time maintaining a high degree of surface finish. Nanoindentation measurements indicated that the mechanical properties of the surface layer are strongly dependent on the chemical additives in the slurry. The CMP removal rates were found to be in good agreement with the initial reaction kinetics as well as the mechanical properties of the chemically modified surface layer. In addition, the material removal model based on the micro- and nano-scale interactions, which were measured experimentally, has been developed.

Site impacts associated with biomass removals in lower Alabama

Treesearch

Emily A. Carter; John . Fulton; Brian J. Burton

2005-01-01

A study was initiated during summer 2003 to evaluate site impacts associated with conversion of a slash pine stand to long leaf pine. Site impacts were evaluated by placing 10 transects over a subsection of the harvest tract and classifying the type of soil surface disturbance every 3 meters. Bulk density, gravimetric water content and cone index were measured on...

GAP/CL-20-Based Compound Explosive: A New Booster Formulation Used in a Small-Sized Initiation Network

NASA Astrophysics Data System (ADS)

Yanju, Wei; Jingyu, Wang; Chongwei, An; Hequn, Li; Xiaomu, Wen; Binshuo, Yu

2017-01-01

With ε-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and glycidyl azide polymer (GAP) as the solid filler and binder, respectively, GAP/CL-20-based compound explosives were designed and prepared. Using micro injection charge technology, the compound explosives were packed into small grooves to explore their application in a small-sized initiation network. The detonation reliability, detonation velocity, mechanical sensitivity, shock sensitivity, and brisance of the explosive were measured and analyzed. The results show that when the solid content of CL-20 is 82 wt%, the explosive charged in the groove has a smooth surface from a macroscopic view. From a microscopic view, a coarse surface is bonded with many CL-20 particles by GAP binder. The GAP/CL-20-based explosive charge successfully generates detonation waves in a groove larger than 0.6 mm × 0.6 mm. When the charge density in the groove is 1.68 g.cm-3 (90% theoretical maximum density), the detonation velocity reaches 7,290 m.s-1. Moreover, this kind of explosive is characterized by low impact and shock sensitivity.

Continuous electrocoagulation of cheese whey wastewater: an application of Response Surface Methodology.

PubMed

Tezcan Un, Umran; Kandemir, Ayse; Erginel, Nihal; Ocal, S Eren

2014-12-15

In this study, treatment of cheese whey wastewater was performed using a uniquely-designed continuous electrocoagulation reactor, not previously encountered in the literature. An iron horizontal rotating screw type anode was used in the continuous mode. An empirical model, in terms of effective operational factors, such as current density (40, 50, 60 mA/cm(2)), pH (3, 5, 7) and retention time (20, 40, 60 min), was developed through Response Surface Methodology. An optimal region characterized by low values of Chemical Oxygen Demand (COD) was determined. As a result of experiments, a linear effect in the removal efficiency of COD was obtained for current density and retention time, while the initial pH of the wastewater was found to have a quadratic effect in the removal efficiency of COD. The best fit nonlinear mathematical model, with a coefficient of determination value (R(2)) of 85%, was defined. An initial COD concentration of 15.500 mg/L was reduced to 2112 mg/L with a removal efficiency of 86.4%. In conclusion, it can be said that electrocoagulation was successfully applied for the treatment of cheese whey wastewater. Copyright © 2014 Elsevier Ltd. All rights reserved.

Synthetic peptides derived from salivary proteins and the control of surface charge densities of dental surfaces improve the inhibition of dental calculus formation.

PubMed

Grohe, Bernd

2017-08-01

Peptides descended from the salivary proteins statherin and histatin were recently identified in saliva and the acquired enamel pellicle (AEP), a proteomic layer coated on enamel. In particular, the statherin phosphopeptide DpSpSEEKFLR (DSS) was found to adsorb to enamel-like hydroxyapatite and inhibit plaque-related crystal formation. To determine the mechanism of these processes, we studied peptide-crystal interactions based on the sequences DSS and RKFHEKHHSHRGYR (RKF). The latter is a basic histatin sequence showing antimicrobial effects. To initiate crystallization we used calcium oxalate monohydrate (COM), a rather secondary phase in the oral environment, however highly amenable to experimental analyses of nucleation and growth processes. Using electron microscopy we found that the peptides DSS, DSS-RKF and DSS-DSS all inhibit crystal formation; with DSS-DSS showing the strongest effects while RKF showed no effect. In addition, using either enamel-like or mica substrates, we found that the ratio of the substrate's surface charge densities was directly correlated with the ratio of COM nucleation rates on theses surfaces. The findings suggest that mineralization processes on enamel/AEP-films are controllable by the degree of peptide phosphorylation/acidity and the level of the enamel surface charge density. Both parameters can, when well adjusted, help to overcome periodontal disease and dental calculus formation. In addition, the presence of antimicrobial RKF will reduce the buildup of bacterial plaque. Copyright © 2017 Elsevier B.V. All rights reserved.

Ordering nanoparticles with polymer brushes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Shengfeng; Stevens, Mark J.; Grest, Gary S.

Ordering nanoparticles into a desired super-structure is often crucial for their technological applications. We use molecular dynamics simulations to study the assembly of nanoparticles in a polymer brush randomly grafted to a planar surface as the solvent evaporates. Initially, the nanoparticles are dispersed in a solvent that wets the polymer brush. After the solvent evaporates, the nanoparticles are either inside the brush or adsorbed at the surface of the brush, depending on the strength of the nanoparticle-polymer interaction. For strong nanoparticle-polymer interactions, a 2-dimensional ordered array is only formed when the brush density is finely tuned to accommodate a singlemore » layer of nanoparticles. When the brush density is higher or lower than this optimal value, the distribution of nanoparticles shows large fluctuations in space and the packing order diminishes. For weak nanoparticle-polymer interactions, the nanoparticles order into a hexagonal array on top of the polymer brush as long as the grafting density is high enough to yield a dense brush. As a result, an interesting healing effect is observed for a low-grafting-density polymer brush that can become more uniform in the presence of weakly adsorbed nanoparticles.« less

Space-dependent characterization of laser-induced plasma plume during fiber laser welding

NASA Astrophysics Data System (ADS)

Xiao, Xianfeng; Song, Lijun; Xiao, Wenjia; Liu, Xingbo

2016-12-01

The role of a plasma plume in high power fiber laser welding is of considerable interest due to its influence on the energy transfer mechanism. In this study, the space-dependent plasma characteristics including spectrum intensity, plasma temperature and electron density were investigated using optical emission spectroscopy technique. The plasma temperature was calculated using the Boltzmann plot of atomic iron lines, whereas the electron density was determined from the Stark broadening of the Fe I line at 381.584 nm. Quantitative analysis of plasma characteristics with respect to the laser radiation was performed. The results show that the plasma radiation increases as the laser power increases during the partial penetration mode, and then decreases sharply after the initiation of full penetration. Both the plasma temperature and electron density increase with the increase of laser power until they reach steady state values after full penetration. Moreover, the hottest core of the plasma shifts toward the surface of the workpiece as the penetration depth increases, whereas the electron density is more evenly distributed above the surface of the workpiece. The results also indicate that the absorption and scattering of nanoparticles in the plasma plume is the main mechanism for laser power attenuation.

Ordering nanoparticles with polymer brushes

DOE PAGES

Cheng, Shengfeng; Stevens, Mark J.; Grest, Gary S.

2017-12-08

Ordering nanoparticles into a desired super-structure is often crucial for their technological applications. We use molecular dynamics simulations to study the assembly of nanoparticles in a polymer brush randomly grafted to a planar surface as the solvent evaporates. Initially, the nanoparticles are dispersed in a solvent that wets the polymer brush. After the solvent evaporates, the nanoparticles are either inside the brush or adsorbed at the surface of the brush, depending on the strength of the nanoparticle-polymer interaction. For strong nanoparticle-polymer interactions, a 2-dimensional ordered array is only formed when the brush density is finely tuned to accommodate a singlemore » layer of nanoparticles. When the brush density is higher or lower than this optimal value, the distribution of nanoparticles shows large fluctuations in space and the packing order diminishes. For weak nanoparticle-polymer interactions, the nanoparticles order into a hexagonal array on top of the polymer brush as long as the grafting density is high enough to yield a dense brush. As a result, an interesting healing effect is observed for a low-grafting-density polymer brush that can become more uniform in the presence of weakly adsorbed nanoparticles.« less

The effects of chemical coagulants on the decolorization of dyes by electrocoagulation using response surface methodology (RSM)

NASA Astrophysics Data System (ADS)

Butler, Erick B.; Hung, Yung-Tse; Mulamba, Oliver

2017-09-01

This study assessed the efficiency of electrocoagulation (ECF) coupled with an addition of chemical coagulant to decolorize textile dye. Tests were conducted using Box Behnken methodology to vary six parameters: dye type, weight, coagulant type, dose, initial pH and current density. The combination of electrocoagulation and chemical coagulation was able to decolorize dye up to 99.42 % in 30 min of treatment time which is remarkably shorter in comparison with using conventional chemical coagulation. High color removal was found to be contingent upon the dye type and current density, along with the interactions between the current density and the coagulant dose. The addition of chemical coagulants did enhanced treatment efficiency.

Gas Flux and Density Surrounding a Cylindrical Aperture in the Free Molecular Flow Regime

NASA Technical Reports Server (NTRS)

Soulas, George C.

2011-01-01

The equations for rigorously calculating the particle flux and density surrounding a cylindrical aperture in the free molecular flow regime are developed and presented. The fundamental equations for particle flux and density from a reservoir and a diffusely reflecting surface will initially be developed. Assumptions will include a Maxwell-Boltzmann speed distribution, equal particle and wall temperatures, and a linear flux distribution along the cylindrical aperture walls. With this information, the equations for axial flux and density surrounding a cylindrical aperture will be developed. The cylindrical aperture will be divided into multiple volumes and regions to rigorously determine the surrounding axial flux and density, and appropriate limits of integration will be determined. The results of these equations will then be evaluated. The linear wall flux distribution assumption will be assessed. The axial flux and density surrounding a cylindrical aperture with a thickness-to-radius ratio of 1.25 will be presented. Finally, the equations determined in this study will be verified using multiple methods.

Voids in cosmological simulations over cosmic time

NASA Astrophysics Data System (ADS)

Wojtak, Radosław; Powell, Devon; Abel, Tom

2016-06-01

We study evolution of voids in cosmological simulations using a new method for tracing voids over cosmic time. The method is based on tracking watershed basins (contiguous regions around density minima) of well-developed voids at low redshift, on a regular grid of density field. It enables us to construct a robust and continuous mapping between voids at different redshifts, from initial conditions to the present time. We discuss how the new approach eliminates strong spurious effects of numerical origin when voids' evolution is traced by matching voids between successive snapshots (by analogy to halo merger trees). We apply the new method to a cosmological simulation of a standard Λ-cold-dark-matter cosmological model and study evolution of basic properties of typical voids (with effective radii 6 h-1 Mpc < Rv < 20 h-1 Mpc at redshift z = 0) such as volumes, shapes, matter density distributions and relative alignments. The final voids at low redshifts appear to retain a significant part of the configuration acquired in initial conditions. Shapes of voids evolve in a collective way which barely modifies the overall distribution of the axial ratios. The evolution appears to have a weak impact on mutual alignments of voids implying that the present state is in large part set up by the primordial density field. We present evolution of dark matter density profiles computed on isodensity surfaces which comply with the actual shapes of voids. Unlike spherical density profiles, this approach enables us to demonstrate development of theoretically predicted bucket-like shape of the final density profiles indicating a wide flat core and a sharp transition to high-density void walls.

First-principles surface interaction studies of aluminum-copper and aluminum-copper-magnesium secondary phases in aluminum alloys

NASA Astrophysics Data System (ADS)

da Silva, Thiago H.; Nelson, Eric B.; Williamson, Izaak; Efaw, Corey M.; Sapper, Erik; Hurley, Michael F.; Li, Lan

2018-05-01

First-principles density functional theory-based calculations were performed to study θ-phase Al2Cu, S-phase Al2CuMg surface stability, as well as their interactions with water molecules and chloride (Cl-) ions. These secondary phases are commonly found in aluminum-based alloys and are initiation points for localized corrosion. Density functional theory (DFT)-based simulations provide insight into the origins of localized (pitting) corrosion processes of aluminum-based alloys. For both phases studied, Cl- ions cause atomic distortions on the surface layers. The nature of the distortions could be a factor to weaken the interlayer bonds in the Al2Cu and Al2CuMg secondary phases, facilitating the corrosion process. Electronic structure calculations revealed not only electron charge transfer from Cl- ions to alloy surface but also electron sharing, suggesting ionic and covalent bonding features, respectively. The S-phase Al2CuMg structure has a more active surface than the θ-phase Al2Cu. We also found a higher tendency of formation of new species, such as Al3+, Al(OH)2+, HCl, AlCl2+, Al(OH)Cl+, and Cl2 on the S-phase Al2CuMg surface. Surface chemical reactions and resultant species present contribute to establishment of local surface chemistry that influences the corrosion behavior of aluminum alloys.

Markedly Enhanced Surface Hydroxyl Groups of TiO2 Nanoparticles with Superior Water-Dispersibility for Photocatalysis

PubMed Central

Wu, Chung-Yi; Tu, Kuan-Ju; Deng, Jin-Pei; Lo, Yu-Shiu; Wu, Chien-Hou

2017-01-01

The benefits of increasing the number of surface hydroxyls on TiO2 nanoparticles (NPs) are known for environmental and energy applications; however, the roles of the hydroxyl groups have not been characterized and distinguished. Herein, TiO2 NPs with abundant surface hydroxyl groups were prepared using commercial titanium dioxide (ST-01) powder pretreated with alkaline hydrogen peroxide. Through this simple treatment, the pure anatase phase was retained with an average crystallite size of 5 nm and the surface hydroxyl group density was enhanced to 12.0 OH/nm2, estimated by thermogravimetric analysis, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy. Especially, this treatment increased the amounts of terminal hydroxyls five- to six-fold, which could raise the isoelectric point and the positive charges on the TiO2 surface in water. The photocatalytic efficiency of the obtained TiO2 NPs was investigated by the photodegradation of sulforhodamine B under visible light irradiation as a function of TiO2 content, pH of solution, and initial dye concentration. The high surface hydroxyl group density of TiO2 NPs can not only enhance water-dispersibility but also promote dye sensitization by generating more hydroxyl radicals. PMID:28772926

Smart modification of the single conical nanochannel to fabricate dual-responsive ion gate by self-initiated photografting and photopolymerization.

PubMed

Zhai, Qingfeng; Jiang, Hong; Zhang, Xiaowei; Li, Jing; Wang, Erkang

2016-01-01

A simple, rapid and general method of self-initiated photografting and photopolymerization (SIPGP) was first introduced to fabricate dual-responsive nanochannel with a solid-state conical nanopore for the first time. The high density of carboxyl and hydroxyl groups on the internal surface of the etched poly(ethylene terephthalate) (PET) nanochannel acted as photo-active sites to provide further growth and amplification of polymer brushes via SIPGP. Poly[2-(dimethylamino)ethyl methacrylate] (PDMAEMA) was chosen as a prototypical polymer which can be grafted on the surface of the nanochannel with high efficiency. SIPGP provided a smart and simple strategy to graft polymer brush on the surface of the nanochannel without the need of a surface bonded initiator. Series of characterizations including current-voltage curves, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM) indicated the successful construction of the polymer. The functionalized nanochannel was finally used for the construction of smart gate with perfect responsibility, reversibility and stability towards CO2 and temperature. This modification strategy combined with unique character of the polymer may hold a great potential in building various smart responsive systems. Copyright © 2015. Published by Elsevier B.V.

Cellular generators of the cortical auditory evoked potential initial component.

PubMed

Steinschneider, M; Tenke, C E; Schroeder, C E; Javitt, D C; Simpson, G V; Arezzo, J C; Vaughan, H G

1992-01-01

Cellular generators of the initial cortical auditory evoked potential (AEP) component were determined by analyzing laminar profiles of click-evoked AEPs, current source density, and multiple unit activity (MUA) in primary auditory cortex of awake monkeys. The initial AEP component is a surface-negative wave, N8, that peaks at 8-9 msec and inverts in polarity below lamina 4. N8 is generated by a lamina 4 current sink and a deeper current source. Simultaneous MUA is present from lower lamina 3 to the subjacent white matter. Findings indicate that thalamocortical afferents are a generator of N8 and support a role for lamina 4 stellate cells. Relationships to the human AEP are discussed.

Effects of film growth kinetics on grain coarsening and grain shape.

PubMed

Reis, F D A Aarão

2017-04-01

We study models of grain nucleation and coarsening during the deposition of a thin film using numerical simulations and scaling approaches. The incorporation of new particles in the film is determined by lattice growth models in three different universality classes, with no effect of the grain structure. The first model of grain coarsening is similar to that proposed by Saito and Omura [Phys. Rev. E 84, 021601 (2011)PLEEE81539-375510.1103/PhysRevE.84.021601], in which nucleation occurs only at the substrate, and the grain boundary evolution at the film surface is determined by a probabilistic competition of neighboring grains. The surface grain density has a power-law decay, with an exponent related to the dynamical exponent of the underlying growth kinetics, and the average radius of gyration scales with the film thickness with the same exponent. This model is extended by allowing nucleation of new grains during the deposition, with constant but small rates. The surface grain density crosses over from the initial power law decay to a saturation; at the crossover, the time, grain mass, and surface grain density are estimated as a function of the nucleation rate. The distributions of grain mass, height, and radius of gyration show remarkable power law decays, similar to other systems with coarsening and particle injection, with exponents also related to the dynamical exponent. The scaling of the radius of gyration with the height h relative to the base of the grain show clearly different exponents in growth dominated by surface tension and growth dominated by surface diffusion; thus it may be interesting for investigating the effects of kinetic roughening on grain morphology. In growth dominated by surface diffusion, the increase of grain size with temperature is observed.

α-Actinin Promotes Surface Localization and Current Density of the Ca2+ Channel CaV1.2 by Binding to the IQ Region of the α1 Subunit.

PubMed

Tseng, Pang-Yen; Henderson, Peter B; Hergarden, Anne C; Patriarchi, Tommaso; Coleman, Andrea M; Lillya, Mark W; Montagut-Bordas, Carlota; Lee, Boram; Hell, Johannes W; Horne, Mary C

2017-07-18

The voltage-gated L-type Ca 2+ channel Ca V 1.2 is crucial for initiating heartbeat and control of a number of neuronal functions such as neuronal excitability and long-term potentiation. Mutations of Ca V 1.2 subunits result in serious health problems, including arrhythmia, autism spectrum disorders, immunodeficiency, and hypoglycemia. Thus, precise control of Ca V 1.2 surface expression and localization is essential. We previously reported that α-actinin associates and colocalizes with neuronal Ca V 1.2 channels and that shRNA-mediated depletion of α-actinin significantly reduces localization of endogenous Ca V 1.2 in dendritic spines in hippocampal neurons. Here we investigated the hypothesis that direct binding of α-actinin to Ca V 1.2 supports its surface expression. Using two-hybrid screens and pull-down assays, we identified three point mutations (K1647A, Y1649A, and I1654A) in the central, pore-forming α 1 1.2 subunit of Ca V 1.2 that individually impaired α-actinin binding. Surface biotinylation and flow cytometry assays revealed that Ca V 1.2 channels composed of the corresponding α-actinin-binding-deficient mutants result in a 35-40% reduction in surface expression compared to that of wild-type channels. Moreover, the mutant Ca V 1.2 channels expressed in HEK293 cells exhibit a 60-75% decrease in current density. The larger decrease in current density as compared to surface expression imparted by these α 1 1.2 subunit mutations hints at the possibility that α-actinin not only stabilizes surface localization of Ca V 1.2 but also augments its ion conducting activity.

Modeling Archean Subduction Initiation from Continental Spreading with a Free-Surface

NASA Astrophysics Data System (ADS)

Adams, A.; Thielmann, M.; Golabek, G.

2017-12-01

Earth is the only planet known to have plate tectonics, however the onset of plate tectonics and Earth's early tectonic environment are highly uncertain. Modern plate tectonics are characterized by the sinking of dense lithosphere at subduction zones; however this process may not have been feasible if Earth's interior was hotter in the Archean, resulting in thicker and more buoyant oceanic lithosphere than observed at present [van Hunen and van den Berg, 2008]. Previous studies have proposed gravitational spreading of early continents at passive margins as a mechanism to trigger early episodes of plate subduction using numerical simulations with a free-slip upper boundary condition [Rey et al., 2014]. This study utilizes 2D thermo-mechanical numerical experiments using the finite element code MVEP2 [Kaus, 2010; Thielmann et al., 2014] to investigate the viability of this mechanism for subduction initiation in an Archean mantle for both free-slip and free-surface models. Radiogenic heating, strain weakening, and eclogitization were systematically implemented to determine critical factors for modeling subduction initiation. In free-slip models, results show episodes of continent spreading and subduction initiation of oceanic lithosphere for low limiting yield stresses (100-150 MPa) and increasing continent width with no dependency on radiogenic heating, strain weakening, or eclogitization. For models with a free-surface, subduction initiation was observed at low limiting yield stresses (100-225 MPa) with increasing continent width and only in models with eclogitization. Initial lithospheric stress states were studied as a function of density and viscosity ratios between continent and oceanic lithosphere, and results indicate the magnitude of lithospheric stresses increases with increasing continental buoyancy. This work suggests continent spreading may trigger episodes of subduction in models with a free-surface with critical factors being low limiting yield stresses and eclogitization.

Enhancement of fructosyltransferase and fructooligosaccharides production by A. oryzae DIA-MF in Solid-State Fermentation using aguamiel as culture medium.

PubMed

Muñiz-Márquez, Diana B; Contreras, Juan C; Rodríguez, Raúl; Mussatto, Solange I; Teixeira, José A; Aguilar, Cristóbal N

2016-08-01

The aim of this work was to improve the production of fructosyltransferase (FTase) by Solid-State Fermentation (SSF) using aguamiel (agave sap) as culture medium and Aspergillus oryzae DIA-MF as producer strain. SSF was carried out evaluating the following parameters: inoculum rate, incubation temperature, initial pH and packing density to determine the most significant factors through Box-Hunter and Hunter design. The significant factors were then further optimized using a Box-Behnken design and response surface methodology. The maximum FTase activity (1347U/L) was obtained at 32°C, using packing density of 0.7g/cm(3). Inoculum rate and initial pH had no significant influence on the response. FOS synthesis applying the enzyme produced by A. oryzae DIA-MF was also studied using aguamiel as substrate. Copyright © 2016 Elsevier Ltd. All rights reserved.

Buckybomb: Reactive Molecular Dynamics Simulation

DOE PAGES

Chaban, Vitaly V.; Fileti, Eudes Eterno; Prezhdo, Oleg V.

2015-02-24

Energetic materials, such as explosives, propellants, and pyrotechnics, are widely used in civilian and military applications. Nanoscale explosives represent a special group because of the high density of energetic covalent bonds. The reactive molecular dynamics (ReaxFF) study of nitrofullerene decomposition reported here provides a detailed chemical mechanism of explosion of a nanoscale carbon material. Upon initial heating, C 60(NO 2) 12 disintegrates, increasing temperature and pressure by thousands of Kelvins and bars within tens of picoseconds. The explosion starts with NO 2 group isomerization into C-O-N-O, followed by emission of NO molecules and formation of CO groups on the buckyballmore » surface. NO oxidizes into NO 2, and C 60 falls apart, liberating CO 2. At the highest temperatures, CO 2 gives rise to diatomic carbon. Lastly, the study shows that the initiation temperature and released energy depend strongly on the chemical composition and density of the material.« less

Initiation and blocking of the action potential in an axon in weak ultrasonic or microwave fields

NASA Astrophysics Data System (ADS)

Shneider, M. N.; Pekker, M.

2014-05-01

In this paper, we analyze the effect of the redistribution of the transmembrane ion channels in an axon caused by longitudinal acoustic vibrations of the membrane. These oscillations can be excited by an external source of ultrasound and weak microwave radiation interacting with the charges sitting on the surface of the lipid membrane. It is shown, using the Hodgkin-Huxley model of the axon, that the density redistribution of transmembrane sodium channels may reduce the threshold of the action potential, up to its spontaneous initiation. At the significant redistribution of sodium channels in the membrane, the rarefaction zones of the transmembrane channel density are formed, blocking the propagation of the action potential. Blocking the action potential propagation along the axon is shown to cause anesthesia in the example case of a squid axon. Various approaches to experimental observation of the effects considered in this paper are discussed.

Inverse gravity modeling for depth varying density structures through genetic algorithm, triangulated facet representation, and switching routines

NASA Astrophysics Data System (ADS)

King, Thomas Steven

A hybrid gravity modeling method is developed to investigate the structure of sedimentary mass bodies. The method incorporates as constraints surficial basement/sediment contacts and topography of a mass target with a quadratically varying density distribution. The inverse modeling utilizes a genetic algorithm (GA) to scan a wide range of the solution space to determine initial models and the Marquardt-Levenberg (ML) nonlinear inversion to determine final models that meet pre-assigned misfit criteria, thus providing an estimate of model variability and uncertainty. The surface modeling technique modifies Delaunay triangulation by allowing individual facets to be manually constructed and non-convex boundaries to be incorporated into the triangulation scheme. The sedimentary body is represented by a set of uneven prisms and edge elements, comprised of tetrahedrons, capped by polyhedrons. Each underlying prism and edge element's top surface is located by determining its point of tangency with the overlying terrain. The remaining overlying mass is gravitationally evaluated and subtracted from the observation points. Inversion then proceeds in the usual sense, but on an irregular tiered surface with each element's density defined relative to their top surface. Efficiency is particularly important due to the large number of facets evaluated for surface representations and the many repeated element evaluations of the stochastic GA. The gravitation of prisms, triangular faceted polygons, and tetrahedrons can be formulated in different ways, either mathematically or by physical approximations, each having distinct characteristics, such as evaluation time, accuracy over various spatial ranges, and computational singularities. A decision tree or switching routine is constructed for each element by combining these characteristics into a single cohesive package that optimizes the computation for accuracy and speed while avoiding singularities. The GA incorporates a subspace technique and parameter dependency to maintain model smoothness during development, thus minimizing creating nonphysical models. The stochastic GA explores the solution space, producing a broad range of unbiased initial models, while the ML inversion is deterministic and thus quickly converges to the final model. The combination allows many solution models to be determined from the same observed data.

Surface chemistry of ferrihydrite: Part 2. Kinetics of arsenate adsorption and coprecipitation

USGS Publications Warehouse

Fuller, C.C.; Dadis, J.A.; Waychunas, G.A.

1993-01-01

The kinetics of As(V) adsorption by ferrihydrite was investigated in coprecipitation and postsynthesis adsorption experiments conducted in the pH range 7.5-9.0. In coprecipitation experiments, As(V) was present in solution during the hydrolysis and precipitation of iron. In adsorption experiments, a period of rapid (<5 min) As(V) uptake from solution was followed by continued uptake for at least eight days, as As(V) diffused to adsorption sites on ferrihydrite surfaces within aggregates of colloidal particles. The time dependence of As(V) adsorption is well described by a general model for diffusion into a sphere if a subset of surface sites located near the exterior of aggregates is assumed to attain adsorptive equilibrium rapidly. The kinetics of As(V) desorption after an increase in pH were also consistent with diffusion as a rate-limiting process. Aging of pure ferrihydrite prior to As(V) adsorption caused a decrease in adsorption sites on the precipitate owing to crystallite growth. In coprecipitation experiments, the initial As(V) uptake was significantly greater than in post-synthesis adsorption experiments, and the rate of uptake was not diffusion limited because As(V) was coordinated by surface sites before crystallite growth and coagulation processes could proceed. After the initial adsorption, As(V) was slowly released from coprecipitates for at least one month, as crystallite growth caused desorption of As(V). Adsorption densities as high as 0.7 mole As(V) per mole of Fe were measured in coprecipitates, in comparison to 0.25 mole As(V) per mole of Fe in post-synthesis adsorption experiments. Despite the high Concentration of As(V) in the precipitates, EXAFS spectroscopy (Waychunas et al., 1993) showed that neither ferric arsenate nor any other As-bearing surface precipitate or solid solution was formed. The high adsorption densities are possible because the ferrihydrite particles are extremely small, approaching the size of small dioctahedral chains at the highest As(V) adsorption density. The results suggest that the solid solution model proposed by Fox (1989, 1992) for control of arsenate and phosphate concentrations in natural waters may be invalid. ?? 1993.

Competing contact processes in the Watts-Strogatz network

NASA Astrophysics Data System (ADS)

Rybak, Marcin; Malarz, Krzysztof; Kułakowski, Krzysztof

2016-06-01

We investigate two competing contact processes on a set of Watts-Strogatz networks with the clustering coefficient tuned by rewiring. The base for network construction is one-dimensional chain of N sites, where each site i is directly linked to nodes labelled as i ± 1 and i ± 2. So initially, each node has the same degree k i = 4. The periodic boundary conditions are assumed as well. For each node i the links to sites i + 1 and i + 2 are rewired to two randomly selected nodes so far not-connected to node i. An increase of the rewiring probability q influences the nodes degree distribution and the network clusterization coefficient 𝓒. For given values of rewiring probability q the set 𝓝(q)={𝓝1,𝓝2,...,𝓝 M } of M networks is generated. The network's nodes are decorated with spin-like variables s i ∈ { S,D }. During simulation each S node having a D-site in its neighbourhood converts this neighbour from D to S state. Conversely, a node in D state having at least one neighbour also in state D-state converts all nearest-neighbours of this pair into D-state. The latter is realized with probability p. We plot the dependence of the nodes S final density n S T on initial nodes S fraction n S 0. Then, we construct the surface of the unstable fixed points in (𝓒, p, n S 0) space. The system evolves more often toward n S T for (𝓒, p, n S 0) points situated above this surface while starting simulation with (𝓒, p, n S 0) parameters situated below this surface leads system to n S T =0. The points on this surface correspond to such value of initial fraction n S * of S nodes (for fixed values 𝓒 and p) for which their final density is n S T=1/2.

Theoretical overview and modeling of the sodium and potassium atmospheres of mercury

NASA Technical Reports Server (NTRS)

Smyth, William H.; Marconi, M. L.

1995-01-01

A general theoretical overview for the sources, sinks, gas-surface interactions, and transport dynamics of sodium and potassium in the exospheric atmsophere of Mercury is given. Information for these four factors, which control the spatial distribution of these two alkali-group gases about the planet, is incorporated in numerical models. The spatial nature and relative importance of the initial source atom atmosphere and the ambient (ballistic hopping) atom atmosphere are then examined and are shown to be controlled and coupled to a great extent by the extremely large and variable solar radiation acceleration experienced by sodium and potassium as they resonantly scatter solar photons. The lateral (antisunward) transport rate of thermally accommodated sodium and potassium ambient atoms is shown to be driven by the solar radiation acceleration and, over a significant portion of Mercury's orbit about the Sun, is sufficiently rapid to be competitive with the short photoionization lifetimes for these atoms when they are located on the summit surface near or within about 30 deg of the terminator. The lateral transport rate is characterized by a migration time determined by model calculations for an ensemble of atoms initially starting at a point source on the surface (i.e., a numerical spacetime dependent Green's function). Four animations for the spacetime evolution of the sodium (or potassium) atmosphere produced by a point source on the surface are presented on a videotape format. For extended surface sources for sodium and potassium, the local column density is determined by competition between the photoionization lifetimes and the lateral transport times of atoms originating from different surface source locations. Sodium surface source fluxes (referenced to Mercury at perihelion) that are required on the sunlit hemisphere to reproduce the typically observed several megarayleighs of D2 emission-line brightness and the inferred column densities of 1-2 x 10(exp 11) atoms per sq cm range from approximately 2-5 x 10(exp 7) atoms/sq cm/sec. The sodium model is applied to study observational data that document an anticorrelation in the average sodium column density and solar radiation acceleration. Lateral transport driven by the solar radiation acceleration is shown to produce this behavior for combinations of different sources and surface accomodation coefficients. The best fit model fits to the observational data require a significant degree of thermal accommodation of the ambient sodium atoms to the surface and a source rate that decreases as an inverse power of 1.5 to 2 in heliocentric distance.

Hydrogen-related defects in hydrogenated amorphous semiconductors

NASA Astrophysics Data System (ADS)

Jin, Shu; Ley, Lothar

1991-07-01

One of the key steps in the formation of glow-discharge-deposited (GD) a-Si:H or a-Ge:H films by plasma deposition from the gas phase is the elimination of excess hydrogen from the growth surface which is necessary for the cross linking of the Si or Ge network and the reduction of the defect density associated with the hydrogen-rich surface layer. The high defect density (~1018 cm-3) in a growing surface layer can, depending on preparation conditions, be either reduced (to ~1016 cm-3) or be trapped in the bulk upon subsequent growth, as evidenced by a great deal of data. However, little is known about its origin and implication. We have investigated the change in electronic structure related with this process using UHV-evaporated a-Ge as a model system, subjected to thermal hydrogenation, plasma hydrogenation, and various annealing cycles. The density of occupied states in the pseudogap of the a-Ge(:H) surface (probing depth ~50 Å) was determined with total-yield photoelectron spectroscopy. In this way, effects of thermal annealing, hydrogenation, and ion bombarding on the near-surface defect density could be studied. We identify in room-temperature (RT) hydrogenated a-Ge:H another defect at about Ev+0.45 eV in addition to the dangling-bond defect. This defect exists at the initial stage of hydrogen incorporation, decreases upon ~250 °C annealing, and is restored upon RT rehydrogenation. Therefore we suspect that this defect is hydrogen induced and concomitant with the formation of unexpected bondings [both multiply bonded XHx (X=Si or Ge and x=2 and 3) and polyhydride (XH2)n configurations] favored at RT hydrogenation. As a possible candidate we suggest the Ge-H-Ge three-center bond in which one electron is placed in a nonbonding orbital that gives rise to the paramagnetic state in the gap of a-Ge:H observed here. This defect also accounts for the large defect density at the growing surface in the optimized plasma chemical-vapor-deposition process, where the special bonding configurations mentioned above are the predominant species. The formation and annealing of this defect will be discussed.

Multipactor saturation in parallel-plate waveguides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sorolla, E.; Mattes, M.

2012-07-15

The saturation stage of a multipactor discharge is considered of interest, since it can guide towards a criterion to assess the multipactor onset. The electron cloud under multipactor regime within a parallel-plate waveguide is modeled by a thin continuous distribution of charge and the equations of motion are calculated taking into account the space charge effects. The saturation is identified by the interaction of the electron cloud with its image charge. The stability of the electron population growth is analyzed and two mechanisms of saturation to explain the steady-state multipactor for voltages near above the threshold onset are identified. Themore » impact energy in the collision against the metal plates decreases during the electron population growth due to the attraction of the electron sheet on the image through the initial plate. When this growth remains stable till the impact energy reaches the first cross-over point, the electron surface density tends to a constant value. When the stability is broken before reaching the first cross-over point the surface charge density oscillates chaotically bounded within a certain range. In this case, an expression to calculate the maximum electron surface charge density is found whose predictions agree with the simulations when the voltage is not too high.« less

Enhanced Ge/Si(001) island areal density and self-organization due to P predeposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, B.; Bareno, J.; Petrov, I.

The predeposition of P, with coverages {theta}{sub P} ranging from 0 to 1 ML, on Si(001) significantly increases both the areal density and spatial self-organization of Ge islands grown by gas-source molecular beam epitaxy from hydride precursors. The Ge island density {rho}{sub Ge} initially increases with {theta}{sub P}, reaching a maximum of 1.4 x 10{sup 10} cm{sup -2} at {theta}{sub P} = 0.7 ML, a factor of four times higher than on bare Si(001) under the same deposition conditions, before decreasing at higher P coverages. The increase in {rho}{sub Ge}({theta}{sub P}) is due to a corresponding decrease in Ge adatommore » mean free paths resulting from passivation of surface dangling bonds by adsorbed pentavalent P atoms which, in addition, leads to surface roughening and, therefore, higher Ge coverages at constant Ge{sub 2}H{sub 6} dose. As {theta}{sub P} (and hence, {rho}{sub Ge}) increases, so does the degree of Ge island ordering along <100> directions due to the anisotropic strain field surrounding individual islands. Similar results are obtained for Ge island growth on P-doped Si(001) layers where strong P surface segregation provides partial monolayer coverage prior to Ge deposition.« less

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Wangda; Dolocan, Andrei; Oh, Pilgun

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species.more » By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Finally, our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.« less

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

DOE PAGES

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; ...

2017-04-26

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species.more » By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Finally, our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.« less

The role of surface charge in the desolvation process of gelatin: implications in nanoparticle synthesis and modulation of drug release

PubMed Central

Ahsan, Saad M; Rao, Chintalagiri Mohan

2017-01-01

The process of moving hydrophobic amino acids into the core of a protein by desolvation is important in protein folding. However, a rapid and forced desolvation can lead to precipitation of proteins. Desolvation of proteins under controlled conditions generates nanoparticles – homogeneous aggregates with a narrow size distribution. The protein nanoparticles, under physiological conditions, undergo surface erosion due to the action of proteases, releasing the entrapped drug/gene. The packing density of protein nanoparticles significantly influences the release kinetics. We have investigated the desolvation process of gelatin, exploring the role of pH and desolvating agent in nanoparticle synthesis. Our results show that the desolvation process, initiated by the addition of acetone, follows distinct pathways for gelatin incubated at different pH values and results in the generation of nanoparticles with varying matrix densities. The nanoparticles synthesized with varying matrix densities show variations in drug loading and protease-dependent extra- and intracellular drug release. These results will be useful in fine-tuning the synthesis of nanoparticles with desirable drug release profiles. PMID:28182126

Nucleation and growth of oxide islands during the initial-stage oxidation of (100)Cu-Pt alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Langli; Zhou, Guangwen, E-mail: gzhou@binghamton.edu; Kang, Yihong

2015-02-14

The initial-stage oxidation of (100) Cu-Pt alloys has been examined by in situ environmental transmission electron microscopy and ex situ atomic force microscopy (AFM). It is shown that the oxidation proceeds via the nucleation and growth of Cu{sub 2}O islands that show dependence on the alloy composition and oxidation temperature. The kinetic measurements on the oxide nucleation reveal that both the nucleation density and surface coverage of Cu{sub 2}O islands can be promoted by alloying more Pt in the Cu-Pt alloys. Increasing the oxidation temperature above 700 °C results in the growth of large Cu{sub 2}O islands that transits to amore » dendritic growth morphology. The ex situ AFM studies reveal that the nucleation of oxide islands can occur on surface terraces and the subsequent oxide growth depletes local terrace Cu atoms that results in the formation of surface pits.« less

Designing cylindrical implosion experiments on NIF to study deceleration phase of Rayleigh-Taylor

NASA Astrophysics Data System (ADS)

Vazirani, N.; Kline, J. L.; Loomis, E.; Sauppe, J. P.; Palaniyappan, S.; Flippo, K.; Srinivasan, B.; Malka, E.; Bose, A.; Shvarts, D.

2017-10-01

The Rayleigh-Taylor (RT) hydrodynamic instability occurs when a lower density fluid pushes on a higher density fluid. This occurs in inertial confinement fusion (ICF) implosions at each of the capsule interfaces during the initial acceleration and the deceleration as it stagnates. The RT instabilities mix capsule material into the fusion fuel degrading the Deuterium-Tritium reactivity and ultimately play a key role in limiting target performance. While significant effort has focused on understanding RT at the outer capsule surface, little work has gone into understanding the inner surface RT instability growth during the deceleration phase. Direct measurements of the RT instability are difficult to make at high convergence in a spherical implosion. Here we present the design of a cylindrical implosion system for the National Ignition Facility for studying deceleration phase RT. We will discuss the experimental design, the estimated instability growth, and our outstanding concerns.

Strain energy density and surface layer energy for a crack-like ellipse

NASA Technical Reports Server (NTRS)

Kipp, M. E.; Sih, G. C.

1973-01-01

Some of the fundamental concepts of sharp crack fracture criteria are applied to cracks and narrow ellipses. The strain energy density theory is extended to notch boundaries, where the energy in a surface layer is calculated and the location of failure initiation is determined. The concept of a core region near the notch tip, and its consequences, are examined in detail. The example treated is that of an elliptical cavity loaded uniformly at a large distance from the hole, and at an angle to the hole; the results are shown to approach that of the crack solution for narrow ellipses, and to display quite satisfactory agreement with recently published experimental data under both tensile and compressive loading conditions. Results also indicate that in globally unstable configurations in brittle materials, the original loading and notch geometry are sufficient to predict the subsequent crack trajectory with considerable accuracy.

[Copper recovery from artificial bioleaching lixivium of waste printed circuit boards].

PubMed

Cheng, Dan; Zhu, Neng-Wu; Wu, Ping-Xiao; Zou, Ding-Hui; Xing, Yi-Jia

2014-04-01

The key step to realize metal recovery from bioleaching solutions is the recovery of copper from bioleaching lixivium of waste printed circuit boards in high-grade form. The influences of cathode material, current density, initial pH and initial copper ion concentration on the efficiency and energy consumption of copper recovery from artificial bioleaching lixivium under condition of constant current were investigated using an electro-deposition approach. The results showed that the larger specific surface area of the cathode material (carbon felt) led to the higher copper recovery efficiency (the recovery efficiencies of the anode and the cathode chambers were 96.56% and 99.25%, respectively) and the smaller the total and unit mass product energy consumption (the total and unit mass product energy consumptions were 0.022 kW x h and 15.71 kW x h x kg(-1), respectively). The copper recovery efficiency and energy consumption increased with the increase of current density. When the current density was 155.56 mA x cm(-2), the highest copper recovery efficiencies in the anode and cathode chambers reached 98.51% and 99.37%, respectively. Accordingly, the highest total and unit mass product energy consumptions were 0.037 kW x h and 24.34 kW x h x kg(-1), respectively. The copper recovery efficiency was also significantly affected by the initial copper ion concentration. The increase of the initial copper ion concentration would lead to faster decrease of copper ion concentration, higher total energy consumption, and lower unit mass product consumption. However, the initial pH had no significant effect on the copper recovery efficiency. Under the optimal conditions (carbon felt for cathode materials, current density of 111.11 mA x cm(-2), initial pH of 2.0, and initial copper ion concentration of 10 g x L(-1)), the copper recovery efficiencies of the anode and cathode chambers were 96.75% and 99.35%, and the total and unit mass product energy consumptions were 0.021 kW x h and 14.61 kW x h x kg(-1), respectively. The deposited copper on the cathode material was fascicularly distributed and no oxygen was detected.

Active motion on curved surfaces

NASA Astrophysics Data System (ADS)

Castro-Villarreal, Pavel; Sevilla, Francisco J.

2018-05-01

A theoretical analysis of active motion on curved surfaces is presented in terms of a generalization of the telegrapher equation. Such a generalized equation is explicitly derived as the polar approximation of the hierarchy of equations obtained from the corresponding Fokker-Planck equation of active particles diffusing on curved surfaces. The general solution to the generalized telegrapher equation is given for a pulse with vanishing current as initial data. Expressions for the probability density and the mean squared geodesic displacement are given in the limit of weak curvature. As an explicit example of the formulated theory, the case of active motion on the sphere is presented, where oscillations observed in the mean squared geodesic displacement are explained.

Strong, low-density nanocomposites by chemical vapor deposition and polymerization of cyanoacrylates on aminated silica aerogels.

PubMed

Boday, Dylan J; Stover, Robert J; Muriithi, Beatrice; Keller, Michael W; Wertz, Jason T; Defriend Obrey, Kimberly A; Loy, Douglas A

2009-07-01

Strong polymer-silica aerogel composites were prepared by chemical vapor deposition of cyanoacrylate monomers onto amine-modified aerogels. Amine-modified silica aerogels were prepared by copolymerizing small amounts of (aminopropyl)triethoxysilane with tetraethoxysilane. After silation of the aminated gels with hexamethyldisilazane, they were dried as aerogels using supercritical carbon dioxide processing. The resulting aerogels had only the amine groups as initiators for the cyanoacrylate polymerizations, resulting in cyanoacrylate macromolecules that were higher in molecular weight than those observed with unmodified silica and that were covalently attached to the silica surface. Starting with aminated silica aerogels that were 0.075 g/cm(3) density, composite aerogels were made with densities up to 0.220 g/cm(3) and up to 31 times stronger (flexural strength) than the precursor aerogel and about 2.3 times stronger than an unmodified silica aerogel of the same density.

Oxygen consumption rate and mitochondrial density in human melanoma monolayer cultures and multicellular spheroids.

PubMed

Hystad, M E; Rofstad, E K

1994-05-15

Rate of oxygen consumption per cell has been shown in previous studies to decrease with increasing depth in the viable rim of multicellular spheroids initiated from rodent cells, human colon-carcinoma cells, and human glioma cells, due to progressive accumulation of quiescent cells during spheroid growth. The purpose of our work was to determine oxygen-consumption profiles in human melanoma spheroids. Monolayer cultures of 4 lines (BEX-c, COX-c, SAX-c, and WIX-c) and spheroid cultures of 2 lines (BEX-c and WIX-c) were subjected to investigation. Spheroids were initiated from monolayer cell cultures and grown in spinner flasks. Rate of oxygen consumption was measured with a Clarke-type electrode. Mitochondrial density was determined by stereological analysis of transmission electron micrographs. Thickness of viable rim and cell packing density were assessed by light microscopy of central spheroid sections. Cell-cycle distribution was determined by analysis of DNA histograms measured by flow cytometry. Cell volume was measured by an electronic particle counter. Rate of oxygen consumption per cell differed by a factor of approximately 1.8 between the 4 cell lines and was positively correlated to total volume of mitochondria per cell. Rate of oxygen consumption per cell and total volume of mitochondria per cell were equal for monolayer cell cultures, 600-microns spheroids and 1,200-microns spheroids of the same line. Mitochondrial density and location in the cell did not differ between cells at the spheroid surface, in the middle of the viable rim and adjacent to the central necrosis. Cell-cycle distribution, cell volume, and cell-packing density in the outer and inner halves of the viable rim were not significantly different. Consequently, the rate of oxygen consumption per cell in inner regions of the viable rim was probably equal to that at the spheroid surface, suggesting that oxygen diffusion distances may be shorter in some melanomas than in many other tumor types.

Combined experimental and theoretical description of direct current magnetron sputtering of Al by Ar and Ar/N2 plasma

NASA Astrophysics Data System (ADS)

Trieschmann, Jan; Ries, Stefan; Bibinov, Nikita; Awakowicz, Peter; Mráz, Stanislav; Schneider, Jochen M.; Mussenbrock, Thomas

2018-05-01

Direct current magnetron sputtering of Al by Ar and Ar/N2 low pressure plasmas was characterized by experimental and theoretical means in a unified consideration. Experimentally, the plasmas were analyzed by optical emission spectroscopy, while the film deposition rate was determined by weight measurements and laser optical microscopy, and the film composition by energy dispersive x-ray spectroscopy. Theoretically, a global particle and power balance model was used to estimate the electron temperature T e and the electron density n e of the plasma at constant discharge power. In addition, the sputtering process and the transport of the sputtered atoms were described using Monte Carlo models—TRIDYN and dsmcFoam, respectively. Initially, the non-reactive situation is characterized based on deposition experiment results, which are in agreement with predictions from simulations. Subsequently, a similar study is presented for the reactive case. The influence of the N2 addition is found to be twofold, in terms of (i) the target and substrate surface conditions (e.g., sputtering, secondary electron emission, particle sticking) and (ii) the volumetric changes of the plasma density n e governing the ion flux to the surfaces (e.g., due to additional energy conversion channels). It is shown that a combined experimental/simulation approach reveals a physically coherent and, in particular, quantitative understanding of the properties (e.g., electron density and temperature, target surface nitrogen content, sputtered Al density, deposited mass) involved in the deposition process.

3D electron density distributions in the solar corona during solar minima: assessment for more realistic solar wind modeling

NASA Astrophysics Data System (ADS)

de Patoul, J.; Foullon, C.; Riley, P.

2015-12-01

Knowledge of the electron density distribution in the solar corona put constraints on the magnetic field configurations for coronal modeling, and on initial conditions for solar wind modeling. We work with polarized SOHO/LASCO-C2 images from the last two recent minima of solar activity (1996-1997 and 2008-2010), devoid of coronal mass ejections. We derive the 4D electron density distributions in the corona by applying a newly developed time-dependent tomographic reconstruction method. First we compare the density distributions obtained from tomography with magnetohydrodynamic (MHD) solutions. The tomography provides more accurate distributions of electron densities in the polar regions, and we find that the observed density varies with the solar cycle in both polar and equatorial regions. Second, we find that the highest-density structures do not always correspond to the predicted large-scale heliospheric current sheet or its helmet streamer but can follow the locations of pseudo-streamers. We conclude that tomography offers reliable density distribution in the corona, reproducing the slow time evolution of coronal structures, without prior knowledge of the coronal magnetic field over a full rotation. Finally, we suggest that the highest-density structures show a differential rotation well above the surface depending on how it is magnetically connected to the surface. Such valuable information on the rotation of large-scale structures could help to connect the sources of the solar wind to their in-situ counterparts in future missions such as Solar Orbiter and Solar Probe Plus. This research combined with the MHD coronal modeling efforts has the potential to increase the reliability for future space weather forecasting.

Development of a classical force field for the oxidized Si surface: application to hydrophilic wafer bonding.

PubMed

Cole, Daniel J; Payne, Mike C; Csányi, Gábor; Spearing, S Mark; Colombi Ciacchi, Lucio

2007-11-28

We have developed a classical two- and three-body interaction potential to simulate the hydroxylated, natively oxidized Si surface in contact with water solutions, based on the combination and extension of the Stillinger-Weber potential and of a potential originally developed to simulate SiO(2) polymorphs. The potential parameters are chosen to reproduce the structure, charge distribution, tensile surface stress, and interactions with single water molecules of a natively oxidized Si surface model previously obtained by means of accurate density functional theory simulations. We have applied the potential to the case of hydrophilic silicon wafer bonding at room temperature, revealing maximum room temperature work of adhesion values for natively oxidized and amorphous silica surfaces of 97 and 90 mJm(2), respectively, at a water adsorption coverage of approximately 1 ML. The difference arises from the stronger interaction of the natively oxidized surface with liquid water, resulting in a higher heat of immersion (203 vs 166 mJm(2)), and may be explained in terms of the more pronounced water structuring close to the surface in alternating layers of larger and smaller densities with respect to the liquid bulk. The computed force-displacement bonding curves may be a useful input for cohesive zone models where both the topographic details of the surfaces and the dependence of the attractive force on the initial surface separation and wetting can be taken into account.

Hot spot formation and stagnation properties in simulations of direct-drive NIF implosions

NASA Astrophysics Data System (ADS)

Schmitt, Andrew J.; Obenschain, Stephen P.

2016-05-01

We investigate different proposed methods of increasing the hot spot energy and radius in inertial confinement fusion implosions. In particular, shock mistiming (preferentially heating the inner edge of the target's fuel) and increasing the initial vapor gas density are investigated as possible control mechanisms. We find that only the latter is effective in substantially increasing the hot spot energy and dimensions while achieving ignition. In all cases an increase in the hot spot energy is accompanied by a decrease in the hot spot energy density (pressure) and both the yield and the gain of the target drop substantially. 2D simulations of increased vapor density targets predict an increase in the robustness of the target with respect to surface perturbations but are accompanied by significant yield degradation.

Topology of large-scale structure in seeded hot dark matter models

NASA Technical Reports Server (NTRS)

Beaky, Matthew M.; Scherrer, Robert J.; Villumsen, Jens V.

1992-01-01

The topology of the isodensity surfaces in seeded hot dark matter models, in which static seed masses provide the density perturbations in a universe dominated by massive neutrinos is examined. When smoothed with a Gaussian window, the linear initial conditions in these models show no trace of non-Gaussian behavior for r0 equal to or greater than 5 Mpc (h = 1/2), except for very low seed densities, which show a shift toward isolated peaks. An approximate analytic expression is given for the genus curve expected in linear density fields from randomly distributed seed masses. The evolved models have a Gaussian topology for r0 = 10 Mpc, but show a shift toward a cellular topology with r0 = 5 Mpc; Gaussian models with an identical power spectrum show the same behavior.

Controlled growth of heteroepitaxial zinc oxide nanostructures on gallium nitride.

PubMed

Kong, Bo Hyun; Kim, Dong Chan; Mohanta, Sanjay Kumar; Han, Won Suk; Cho, Hyung Koun; Hong, Chang-Hee; Kim, Hyung Gu

2009-07-01

ZnO epitaxial layers were grown on GaN underlying films by metalorganic chemical vapor deposition at various temperatures. An increase in growth temperature led to morphological changes from a smooth film with hexagonal-shaped surface pits to honeycomb-like nanostructures with deep hollow, and additionally resulted in a decrease in dislocation density in the interfacial layers. The reduced dislocation density at the higher growth temperature was attributed to an increase in the size of the critical nucleus and the low nucleation density at the initial stage. The shifts in the peak positions in the X-ray diffraction and photoluminescence were also observed in the samples grown at different temperatures, and were caused by the variation of residual strains after the complete coalescence of the nuclei.

Controlling self-assembly of microtubule spools via kinesin motor density

PubMed Central

Lam, A.T.; Curschellas, C.; Krovvidi, D.; Hess, H.

2014-01-01

Active self-assembly, in which non-thermal energy is consumed by the system to put together building blocks, allows the creation of non-equilibrium structures and active materials. Microtubule spools assembled in gliding assays are one example of such non-equilibrium structures, capable of storing bending energies on the order of 105 kT. Although these structures arise spontaneously in experiments, the origin of microtubule spooling has long been debated. Here, using a stepwise kinesin gradient, we demonstrate that spool assembly can be controlled by the surface density of kinesin motors, showing that pinning of microtubules due to dead motors plays a dominant role in spool initiation. PMID:25269076

Controlling self-assembly of microtubule spools via kinesin motor density.

PubMed

Lam, A T; Curschellas, C; Krovvidi, D; Hess, H

2014-11-21

Active self-assembly, in which non-thermal energy is consumed by the system to put together building blocks, allows the creation of non-equilibrium structures and active materials. Microtubule spools assembled in gliding assays are one example of such non-equilibrium structures, capable of storing bending energies on the order of 10(5) kT. Although these structures arise spontaneously in experiments, the origin of microtubule spooling has long been debated. Here, using a stepwise kinesin gradient, we demonstrate that spool assembly can be controlled by the surface density of kinesin motors, showing that pinning of microtubules due to dead motors plays a dominant role in spool initiation.

Real-time interferometric diagnostics of rubidium plasma

NASA Astrophysics Data System (ADS)

Djotyan, G. P.; Bakos, J. S.; Kedves, M. Á.; Ráczkevi, B.; Dzsotjan, D.; Varga-Umbrich, K.; Sörlei, Zs.; Szigeti, J.; Ignácz, P.; Lévai, P.; Czitrovszky, A.; Nagy, A.; Dombi, P.; Rácz, P.

2018-03-01

A method of interferometric real-time diagnostics is developed and applied to rubidium plasma created by strong laser pulses in the femtosecond duration range at different initial rubidium vapor densities using a Michelson-type interferometer. A cosine fit with an exponentially decaying relative phase is applied to the obtained time-dependent interferometry signals to measure the density-length product of the created plasma and its recombination time constant. The presented technique may be applicable for real-time measurements of rubidium plasma dynamics in the AWAKE experiment at CERN, as well as for real-time diagnostics of plasmas created in different gaseous media and on surfaces of solid targets.

Propagation of detonation wave in hydrogen-air mixture in channels with sound-absorbing surfaces

NASA Astrophysics Data System (ADS)

Bivol, G. Yu.; Golovastov, S. V.; Golub, V. V.

2015-12-01

The possibility of using sound-absorbing surfaces for attenuating the intensity of detonation waves propagating in hydrogen-air mixtures has been experimentally studied in a cylindrical detonation tube open at one end, with an explosive initiated by spark discharge at the closed end. Sound-absorbing elements were made of an acoustic-grade foamed rubber with density of 0.035 g/cm3 containing open pores with an average diameter of 0.5 mm. The degree of attenuation of the detonation wave front velocity was determined as dependent on the volume fraction of hydrogen in the gas mixture.

Insulator edge voltage gradient effects in spacecraft charging phenomena

NASA Technical Reports Server (NTRS)

Stevens, N. J.; Purvis, C. K.; Staskus, J. V.

1978-01-01

Insulating surfaces on geosynchronous satellites were charged by geomagnetic substorms to a point where discharges occur. The electromagnetic pulses from these discharges couple into satellite electronic systems disrupting operations are examined. Laboratory tests conducted on insulator charging have indicated that discharges appear to be initiated at insulator edges where voltage gradients can exist. An experimental investigation was conducted to measure edge voltage gradients on silvered Teflon samples as they are charged by monoenergetic electron beams. It was found that the surface voltage at insulator edges can be approximated by an exponential expression based on an electron current density balance.

A MEMS-enabled 3D zinc-air microbattery with improved discharge characteristics based on a multilayer metallic substructure

NASA Astrophysics Data System (ADS)

Armutlulu, A.; Fang, Y.; Kim, S. H.; Ji, C. H.; Bidstrup Allen, S. A.; Allen, M. G.

2011-10-01

This paper reports the design, fabrication and testing of a three-dimensional zinc-air microbattery with improved areal energy density and areal capacity, particularly at high discharge rates. The device is based on a multilayer, micron-scale, low-resistance metallic skeleton with an improved surface area. This skeleton consists of alternating Cu and Ni layers supporting Zn as electrodeposited anode electrode, and provides a high surface area, low-resistance path for electron transfer. A proof-of-concept zinc-air microbattery based on this technology was developed, characterized and compared with its two-dimensional thin-film counterparts fabricated on the same footprint area with equal amount of the Zn anode electrode. Using this approach, we were able to improve a single-layer initial structure with a surface area of 1.3 mm2 to a scaffold structure with ten layers having a surface area of 15 mm2. Discharging through load resistances ranging from 100 to 3000 Ω, the areal energy density and areal capacity of the microbattery were measured as 2.5-3 mWh cm-2 and ~2.5 mAh cm-2, respectively.

Structuring of Fluid Adlayers upon Ongoing Unimolecular Adsorption

NASA Astrophysics Data System (ADS)

Schaefer, C.

2018-01-01

Fluids with spatial density variations of single or mixed molecules play a key role in biophysics, soft matter, and materials science. The fluid structures usually form via spinodal decomposition or nucleation following an instantaneous destabilization of the initially disordered fluid. However, in practice, an instantaneous quench is often not viable, and the rate of destabilization may be gradual rather than instantaneous. In this work we show that the commonly used phenomenological descriptions of fluid structuring are inadequate under these conditions. We come to that conclusion in the context of surface catalysis, where we employ kinetic Monte Carlo simulations to describe the unimolecular adsorption of gaseous molecules onto a metal surface. The adsorbates diffuse at the surface and, as a consequence of lateral interactions and due to an ongoing increase of the surface coverage, phase separate into coexisting low- and high-density regions. The typical size of these regions turns out to depend much more strongly on the rate of adsorption than predicted from recently reported phenomenological models. We discuss how this finding contributes to the fundamental understanding of the crossover from liquid-liquid to liquid-solid demixing of solution-cast polymer blends.

Light-induced covalent immobilization of monolayers of magnetic nanoparticles on hydrogen-terminated silicon.

PubMed

Leem, Gyu; Zhang, Shishan; Jamison, Andrew C; Galstyan, Eduard; Rusakova, Irene; Lorenz, Bernd; Litvinov, Dmitri; Lee, T Randall

2010-10-01

Specifically tailored ω-alkenyl-1-carboxylic acids were synthesized for use as surfactants in the single-step preparation of manganese ferrite (MnFe2O4) nanoparticles (NPs). Monodisperse manganese ferrite NPs terminated with ω-alkenyl moieties were prepared via a one-pot reaction at high temperature without the need of ligand exchange. Using this approach, simple adjustment of the rate of heating allowed precise tuning of the size of the nanoparticles, which were characterized in bulk form by transmission electron microscopy (TEM), Fourier-transform infrared (FT-IR) spectroscopy, and X-ray diffraction (XRD). These surfactant-coated magnetic nanoparticles were then deposited onto hydrogen-terminated silicon(111) wafers and covalently anchored to the surface by UV-initiated covalent bonding. Analysis by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) confirmed that the UV treatment led to covalent immobilization of the NPs on the silicon surface with a consistent packing density across the surface. The magnetic properties of the stable, surface-bound nanoparticle arrays were characterized using a superconducting quantum interference device (SQUID) magnetometer. The materials and methods described here are being developed for use in bit-patterned ultrahigh density magnetic recording media and nanoscale biomagnetic sensing.

Reduced Microvascular Density in Omental Biopsies of Children with Chronic Kidney Disease

PubMed Central

Grabe, Niels; Lahrmann, Bernd; Nasser, Hamoud; Freise, Christian; Schneider, Axel; Lingnau, Anja; Degenhardt, Petra; Ranchin, Bruno; Sallay, Peter; Cerkauskiene, Rimante; Malina, Michal; Ariceta, Gema; Schmitt, Claus Peter; Querfeld, Uwe

2016-01-01

Background Endothelial dysfunction is an early manifestation of cardiovascular disease (CVD) and consistently observed in patients with chronic kidney disease (CKD). We hypothesized that CKD is associated with systemic damage to the microcirculation, preceding macrovascular pathology. To assess the degree of “uremic microangiopathy”, we have measured microvascular density in biopsies of the omentum of children with CKD. Patients and Methods Omental tissue was collected from 32 healthy children (0–18 years) undergoing elective abdominal surgery and from 23 age-matched cases with stage 5 CKD at the time of catheter insertion for initiation of peritoneal dialysis. Biopsies were analyzed by independent observers using either a manual or an automated imaging system for the assessment of microvascular density. Quantitative immunohistochemistry was performed for markers of autophagy and apoptosis, and for the abundance of the angiogenesis-regulating proteins VEGF-A, VEGF-R2, Angpt1 and Angpt2. Results Microvascular density was significantly reduced in uremic children compared to healthy controls, both by manual imaging with a digital microscope (median surface area 0.61% vs. 0.95%, p<0.0021 and by automated quantification (total microvascular surface area 0.89% vs. 1.17% p = 0.01). Density measured by manual imaging was significantly associated with age, height, weight and body surface area in CKD patients and healthy controls. In multivariate analysis, age and serum creatinine level were the only independent, significant predictors of microvascular density (r2 = 0.73). There was no immunohistochemical evidence for apoptosis or autophagy. Quantitative staining showed similar expression levels of the angiogenesis regulators VEGF-A, VEGF-receptor 2 and Angpt1 (p = 0.11), but Angpt2 was significantly lower in CKD children (p = 0.01). Conclusions Microvascular density is profoundly reduced in omental biopsies of children with stage 5 CKD and associated with diminished Angpt2 signaling. Microvascular rarefaction could be an early systemic manifestation of CKD-induced cardiovascular disease. PMID:27846250

Theoretical characterization of the surface composition of ruthenium nanoparticles in equilibrium with syngas

NASA Astrophysics Data System (ADS)

Cusinato, Lucy; Martínez-Prieto, Luis M.; Chaudret, Bruno; Del Rosal, Iker; Poteau, Romuald

2016-05-01

A deeper understanding of the relationship between experimental reaction conditions and the surface composition of nanoparticles is crucial in order to elucidate mechanisms involved in nanocatalysis. In the framework of the Fischer-Tropsch synthesis, a resolution of this complex puzzle requires a detailed understanding of the interaction of CO and H with the surface of the catalyst. In this context, the single- and co-adsorption of CO and H to the surface of a 1 nm ruthenium nanoparticle has been investigated with density functional theory. Using several indexes (d-band center, crystal overlap Hamilton population, density of states), a systematic analysis of the bond properties and of the electronic states has also been done, in order to bring an understanding of structure/property relationships at the nanoscale. The H : CO surface composition of this ruthenium nanoparticle exposed to syngas has been evaluated according to a thermodynamic model fed with DFT energies. Such ab initio thermodynamic calculations give access to the optimal H : CO coverage values under a wide range of experimental conditions, through the construction of free energy phase diagrams. Surprisingly, under the Fischer-Tropsch synthesis experimental conditions, and in agreement with new experiments, only CO species are adsorbed at the surface of the nanoparticle. These findings shed new light on the possible reaction pathways underlying the Fischer-Tropsch synthesis, and specifically the initiation of the reaction. It is finally shown that the joint knowledge of the surface composition and energy descriptors can help to identify possible reaction intermediates.A deeper understanding of the relationship between experimental reaction conditions and the surface composition of nanoparticles is crucial in order to elucidate mechanisms involved in nanocatalysis. In the framework of the Fischer-Tropsch synthesis, a resolution of this complex puzzle requires a detailed understanding of the interaction of CO and H with the surface of the catalyst. In this context, the single- and co-adsorption of CO and H to the surface of a 1 nm ruthenium nanoparticle has been investigated with density functional theory. Using several indexes (d-band center, crystal overlap Hamilton population, density of states), a systematic analysis of the bond properties and of the electronic states has also been done, in order to bring an understanding of structure/property relationships at the nanoscale. The H : CO surface composition of this ruthenium nanoparticle exposed to syngas has been evaluated according to a thermodynamic model fed with DFT energies. Such ab initio thermodynamic calculations give access to the optimal H : CO coverage values under a wide range of experimental conditions, through the construction of free energy phase diagrams. Surprisingly, under the Fischer-Tropsch synthesis experimental conditions, and in agreement with new experiments, only CO species are adsorbed at the surface of the nanoparticle. These findings shed new light on the possible reaction pathways underlying the Fischer-Tropsch synthesis, and specifically the initiation of the reaction. It is finally shown that the joint knowledge of the surface composition and energy descriptors can help to identify possible reaction intermediates. Electronic supplementary information (ESI) available: Energies, detailed description of the hapticity and of the bridging character of the surface ligands and geometries for isomers; additional phase diagrams (without ZPE corrections). See DOI: 10.1039/C6NR01191H

Numerical Simulations of Martian Fog Formation in the Low Latitudes

NASA Astrophysics Data System (ADS)

Inada, A.

2002-09-01

The formation of Martian surface fog is simulated by a one-dimensional model including the micro-physical processes of heterogeneous nucleation, condensation, and sublimation. The model includes diurnal cycle of water vapor in the 1 km surface layer which is spatially resolved. The results show that the column density of water ice in fog strongly depends on the water vapor density near the surface. If the mixing ratio of water vapor is 300 ppm near the surface, the simulations show that a thin fog layer appears with a maximum column density of 0.145 precipitable microns. If the mixing ratio is 600 ppm, the value measured by the Mars Pathfinder, the column density of water ice reaches 0.75 precipitable microns. It is also found that if the boundary layer is strongly turbulent the total amount of ice formed is small, since the ice particles are transported to the unsaturated higher atmospheric layers and sublimate there. Fog particles, which are large enough to precipitate to the lower atmosphere play a significant role in determining the altitude distribution of water vapor. It is noteworthy that the size distribution of all of the aerosols has two peaks once fog appears. This is because nucleation on large dust particles is so much faster than on the small ones, that the small dust particles are hardly coated by ice. The simulations assume an initial dust distribution with effective radius of 1.6 microns. Once fog forms this peak remains and is populated with particles with little water ice. A secondary peak is formed at about 10 microns corresponding to particles which are mostly water ice. This research was carried out under the partial support of JSPS Postdoctoral Fellowships for Research Abroad.

Effects of core retrieval, handling, and preservation on hydrate-bearing samples

NASA Astrophysics Data System (ADS)

Kneafsey, T. J.; Lu, H.; Winters, W. J.; Hunter, R. B.

2009-12-01

Recovery, preservation, storage, and transport of samples containing natural gas hydrate cause changes in the stress conditions, temperature, pressure, and hydrate saturation of samples. Sample handling at the ground surface and sample preservation, either by freezing in liquid nitrogen (LN) or repressurization using methane, provides additional time and driving forces for sample alteration. The extent to which these disturbances alter the properties of the hydrate bearing sediments (HBS) depend on specific sample handling techniques, as well as on the sample itself. HBS recovered during India’s National Gas Hydrate Program (NGHP) Expedition 01 and the 2007 BP Exploration Alaska - Department of Energy - U.S. Geological Survey (BP-DOE-USGS) Mount Elbert (ME) gas hydrate well on the Alaskan North Slope provide comparisons of sample alterations induced by multiple handling techniques. HBS samples from the NGHP and the ME projects were examined using x-ray computed tomography. Mount Elbert sand samples initially preserved in LN have non-uniform short “crack-like” low-density zones in the center that probably do not extend to the outside perimeter. Samples initially preserved by repressurization show fewer “crack-like” features and higher densities. Two samples were analyzed in detail by Lu and coworkers showing reduced hydrate saturations approaching the outer surface, while substantial hydrate remained in the central region. Non-pressure cored NGHP samples show relatively large altered regions approaching the core surface, while pressure-cored-liquid-nitrogen preserved samples have much less alteration.

Characterizing water-metal interfaces and machine learning potential energy surfaces

NASA Astrophysics Data System (ADS)

Ryczko, Kevin

In this thesis, we first discuss the fundamentals of ab initio electronic structure theory and density functional theory (DFT). We also discuss statistics related to computing thermodynamic averages of molecular dynamics (MD). We then use this theory to analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid watergraphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the platinum surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water. Lastly, we introduce artificial neural networks (ANNs), and demonstrate how they can be used to machine learn electronic structure calculations. As a proof of principle, we show the success of an ANN potential energy surfaces for a dimer molecule with a Lennard-Jones potential.

Fractal analysis of polyferric chloride-humic acid (PFC-HA) flocs in different topological spaces.

PubMed

Wang, Yili; Lu, Jia; Baiyu, Du; Shi, Baoyou; Wang, Dongsheng

2009-01-01

The fractal dimensions in different topological spaces of polyferric chloride-humic acid (PFC-HA) flocs, formed in flocculating different kinds of humic acids (HA) water at different initial pH (9.0, 7.0, 5.0) and PFC dosages, were calculated by effective density-maximum diameter, image analysis, and N2 absorption-desorption methods, respectively. The mass fractal dimensions (Df) of PFC-HA flocs were calculated by bi-logarithm relation of effective density with maximum diameter and Logan empirical equation. The Df value was more than 2.0 at initial pH of 7.0, which was 11% and 13% higher than those at pH 9.0 and 5.0, respectively, indicating the most compact flocs formed in flocculated HA water at initial pH of 7.0. The image analysis for those flocs indicates that after flocculating the HA water at initial pH greater than 7.0 with PFC flocculant, the fractal dimensions of D2 (logA vs. logdL) and D3 (logVsphere VS. logdL) of PFC-HA flocs decreased with the increase of PFC dosages, and PFC-HA flocs showed a gradually looser structure. At the optimum dosage of PFC, the D2 (logA vs. logdL) values of the flocs show 14%-43% difference with their corresponding Df, and they even had different tendency with the change of initial pH values. However, the D2 values of the flocs formed at three different initial pH in HA solution had a same tendency with the corresponding Dr. Based on fractal Frenkel-Halsey-Hill (FHH) adsorption and desorption equations, the pore surface fractal dimensions (Ds) for dried powders of PFC-HA flocs formed in HA water with initial pH 9.0 and 7.0 were all close to 2.9421, and the Ds values of flocs formed at initial pH 5.0 were less than 2.3746. It indicated that the pore surface fractal dimensions of PFC-HA flocs dried powder mainly show the irregularity from the mesopore-size distribution and marcopore-size distribution.

A first-principles study of methyl lactate adsorption on the chiral Cu (643) surface

NASA Astrophysics Data System (ADS)

Yuk, Simuck F.; Asthagiri, Aravind

2014-11-01

We used dispersion-corrected density function theory (DFT) to investigate the enantiospecific adsorption of R- and S-methyl lactate on the chiral Cu (643)R surface. Initial study of methyl lactate adsorbed on the Cu (111) surface revealed that the most strongly bound states are associated with interaction of the hydroxyl and alkoxide group with the surface. Using dispersion-corrected DFT-derived pre-factors and desorption energies within the Redhead analysis predicts peak temperatures that are in relatively good agreement with experimental values for molecular methyl lactate desorption from both the Cu (111) and Cu (643)R surface. The global minimum of S-methyl lactate is more firmly bound by 9.5 kJ/mol over its enantiomer on the Cu (643)R surface, with a peak temperature difference of 25 K versus an experimental value of 12 K.

Methane Lunar Surface Thermal Control Test

NASA Technical Reports Server (NTRS)

Plachta, David W.; Sutherlin, Steven G.; Johnson, Wesley L.; Feller, Jeffrey R.; Jurns, John M.

2012-01-01

NASA is considering propulsion system concepts for future missions including human return to the lunar surface. Studies have identified cryogenic methane (LCH4) and oxygen (LO2) as a desirable propellant combination for the lunar surface ascent propulsion system, and they point to a surface stay requirement of 180 days. To meet this requirement, a test article was prepared with state-of-the-art insulation and tested in simulated lunar mission environments at NASA GRC. The primary goals were to validate design and models of the key thermal control technologies to store unvented methane for long durations, with a low-density high-performing Multi-layer Insulation (MLI) system to protect the propellant tanks from the environmental heat of low Earth orbit (LEO), Earth to Moon transit, lunar surface, and with the LCH4 initially densified. The data and accompanying analysis shows this storage design would have fallen well short of the unvented 180 day storage requirement, due to the MLI density being much higher than intended, its substructure collapse, and blanket separation during depressurization. Despite the performance issue, insight into analytical models and MLI construction was gained. Such modeling is important for the effective design of flight vehicle concepts, such as in-space cryogenic depots or in-space cryogenic propulsion stages.

Prediction of local proximal tibial subchondral bone structural stiffness using subject-specific finite element modeling: Effect of selected density-modulus relationship.

PubMed

Nazemi, S Majid; Amini, Morteza; Kontulainen, Saija A; Milner, Jaques S; Holdsworth, David W; Masri, Bassam A; Wilson, David R; Johnston, James D

2015-08-01

Quantitative computed tomography based subject-specific finite element modeling has potential to clarify the role of subchondral bone alterations in knee osteoarthritis initiation, progression, and pain initiation. Calculation of bone elastic moduli from image data is a basic step when constructing finite element models. However, different relationships between elastic moduli and imaged density (known as density-modulus relationships) have been reported in the literature. The objective of this study was to apply seven different trabecular-specific and two cortical-specific density-modulus relationships from the literature to finite element models of proximal tibia subchondral bone, and identify the relationship(s) that best predicted experimentally measured local subchondral structural stiffness with highest explained variance and least error. Thirteen proximal tibial compartments were imaged via quantitative computed tomography. Imaged bone mineral density was converted to elastic moduli using published density-modulus relationships and mapped to corresponding finite element models. Proximal tibial structural stiffness values were compared to experimentally measured stiffness values from in-situ macro-indentation testing directly on the subchondral bone surface (47 indentation points). Regression lines between experimentally measured and finite element calculated stiffness had R(2) values ranging from 0.56 to 0.77. Normalized root mean squared error varied from 16.6% to 337.6%. Of the 21 evaluated density-modulus relationships in this study, Goulet combined with Snyder and Schneider or Rho appeared most appropriate for finite element modeling of local subchondral bone structural stiffness. Though, further studies are needed to optimize density-modulus relationships and improve finite element estimates of local subchondral bone structural stiffness. Copyright © 2015 Elsevier Ltd. All rights reserved.

H 2 Desorption from MgH 2 Surfaces with Steps and Catalyst-Dopants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reich, Jason M.; Wang, Lin-Lin; Johnson, Duane D.

2014-03-10

Light-metal hydrides, like MgH 2, remain under scrutiny as prototypes for reversible H-storage materials. For MgH 2, we assess hydrogen desorption/adsorption properties (enthalpy and kinetic barriers) for stepped, catalyst-doped surfaces occurring, e.g., from ball-milling in real samples. Employing density functional theory and simulated annealing in a slab model, we studied initial H 2 desorption from stepped surfaces with(out) titanium (Ti) catalytic dopant. Extensive simulated annealing studies were performed to find the dopant’s site preferences. For the most stable initial and final (possibly magnetic) states, nudged elastic band (NEB) calculations were performed to determine the H 2-desorption activation energy. We usedmore » a moment-transition NEB method to account for the dopant’s transition to the lowest-energy magnetic state at each image along the band. We identify a dopant-related surface-desorption mechanism that reloads via bulk H diffusion. While reproducing the observed bulk enthalpy of desorption, we find a decrease of 0.24 eV (a 14% reduction) in the activation energy on doped stepped surface; together with a 22% reduction on a doped flat surface, this brackets the assessed 18% reduction in kinetic barrier for ball-milled MgH 2 samples with low concentration of Ti from experiment.« less

Topology of Surface Ligands on Liposomes: Characterization Based on the Terms, Incorporation Ratio, Surface Anchor Density, and Reaction Yield.

PubMed

Lee, Shang-Hsuan; Sato, Yusuke; Hyodo, Mamoru; Harashima, Hideyoshi

2016-01-01

The surface topology of ligands on liposomes is an important factor in active targeting in drug delivery systems. Accurately evaluating the density of anchors and bioactive functional ligands on a liposomal surface is critical for ensuring the efficient delivery of liposomes. For evaluating surface ligand density, it is necessary to clarify that on the ligand-modified liposomal surfaces, some anchors are attached to ligands but some are not. To distinguish between these situations, a key parameter, surface anchor density, was introduced to specify amount of total anchors on the liposomal surface. Second, the parameter reaction yield was introduced to identify the amount of ligand-attached anchors among total anchors, since the conjugation efficiency is not always the same nor 100%. Combining these independent parameters, we derived: incorporation ratio=surface anchor density×reaction yield. The term incorporation ratio defines the surface ligand density. Since the surface anchor density represents the density of polyethylene glycol (PEG) on the surfaces in most cases, it also determines liposomal function. It is possible to accurately characterize various PEG and ligand densities and to define the surface topologies. In conclusion, this quantitative methodology can standardize the liposome preparation process and qualify the modified liposomal surfaces.

Observation and modeling of mixing-layer development in HED blast-wave-driven shear flow

NASA Astrophysics Data System (ADS)

di Stefano, Carlos

2013-10-01

This talk describes work exploring the sensitivity to initial conditions of hydrodynamic mixing-layer growth due to shear flow in the high-energy-density regime. This work features an approach in two parts, experimental and theoretical. First, an experiment, conducted at the OMEGA-60 laser facility, seeks to measure the development of such a mixing layer. This is accomplished by placing a layer of low-density (initially of either 0.05 or 0.1 g/cm3, to vary the system's Atwood number) carbon foam against a layer of higher-density (initially 1.4 g/cm3) polyamide-imide that has been machined to a nominally-flat surface at its interface with the foam. Inherent roughness of this surface's finish is precisely measured and varied from piece to piece. Ten simultaneous OMEGA beams, comprising a 4.5 kJ, 1-ns pulse focused to a roughly 1-mm-diameter spot, irradiate a thin polycarbonate ablator, driving a blast wave into the foam, parallel to its interface with the polyamide-imide. The ablator is framed by a gold washer, such that the blast wave is driven only into the foam, and not into the polyamide-imide. The subsequent forward motion of the shocked foam creates the desired shear effect, and the system is imaged by X-ray radiography 35 ns after the beginning of the driving laser pulse. Second, a simulation is performed, intending to replicate the flow observed in the experiment as closely as possible. Using the resulting simulated flow parameters, an analytical model can be used to predict the evolution of the mixing layer, as well as track the motion of the fluid in the experiment prior to the snapshot seen in the radiograph. The ability of the model to predict growth of the mixing layer under the various conditions observed in the experiment is then examined. This work is funded by the Predictive Sciences Academic Alliances Program in NNSA-ASC via grant DEFC52- 08NA28616, by the NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas, grant number DE-NA0001840, and by the National Laser Use.

Time- and space-resolved light emission and spectroscopic research of the flashover plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gleizer, J. Z.; Krasik, Ya. E.; Leopold, J.

2015-02-21

The results of an experimental study of the evolution of surface flashover across the surface of an insulator in vacuum subject to a high-voltage pulse and the parameters of the flashover plasma are reported. For the system studied, flashover is always initiated at the cathode triple junctions. Using time-resolved framing photography of the plasma light emission the velocity of the light emission propagation along the surface of the insulator was found to be ∼2.5·10{sup 8} cm/s. Spectroscopic measurements show that the flashover is characterized by a plasma density of 2–4 × 10{sup 14} cm{sup −3} and neutral and electron temperatures of 2–4 eV and 1–3 eV,more » respectively, corresponding to a plasma conductivity of ∼0.2 Ω{sup −1} cm{sup −1} and a discharge current density of up to ∼10 kA/cm{sup 2}.« less

N-Doped Porous Carbon Nanofibers/Porous Silver Network Hybrid for High-Rate Supercapacitor Electrode.

PubMed

Meng, Qingshi; Qin, Kaiqiang; Ma, Liying; He, Chunnian; Liu, Enzuo; He, Fang; Shi, Chunsheng; Li, Qunying; Li, Jiajun; Zhao, Naiqin

2017-09-13

A three-dimensional cross-linked porous silver network (PSN) is fabricated by silver mirror reaction using polymer foam as the template. The N-doped porous carbon nanofibers (N-PCNFs) are further prepared on PSN by chemical vapor deposition and treated by ammonia gas subsequently. The PSN substrate serving as the inner current collector will improve the electron transport efficiency significantly. The ammonia gas can not only introduce nitrogen doping into PCNFs but also increase the specific surface area of PCNFs at the same time. Because of its large surface area (801 m 2 /g), high electrical conductivity (211 S/cm), and robust structure, the as-constructed N-PCNFs/PSN demonstrates a specific capacitance of 222 F/g at the current density of 100 A/g with a superior rate capability of 90.8% of its initial capacitance ranging from 1 to 100 A/g while applied as the supercapacitor electrode. The symmetric supercapacitor device based on N-PCNFs/PSN displays an energy density of 8.5 W h/kg with power density of 250 W/kg and excellent cycling stability, which attains 103% capacitance retention after 10 000 charge-discharge cycles at a high current density of 20 A/g, which indicates that N-PCNFs/PSN is a promising candidate for supercapacitor electrode materials.

Moderate temperature-dependent surface and volume resistivity and low-frequency dielectric constant measurements of pure and multi-walled carbon nanotube (MWCNT) doped polyvinyl alcohol thin films

NASA Astrophysics Data System (ADS)

Edwards, Matthew; Guggilla, Padmaja; Reedy, Angela; Ijaz, Quratulann; Janen, Afef; Uba, Samuel; Curley, Michael

2017-08-01

Previously, we have reported measurements of temperature-dependent surface resistivity of pure and multi-walled carbon nanotube (MWNCT) doped amorphous Polyvinyl Alcohol (PVA) thin films. In the temperature range from 22 °C to 40 °C with humidity-controlled environment, we found the surface resistivity to decrease initially, but to rise steadily as the temperature continued to increase. Moreover, electric surface current density (Js) was measured on the surface of pure and MWCNT doped PVA thin films. In this regard, the surface current density and electric field relationship follow Ohm's law at low electric fields. Unlike Ohmic conduction in metals where free electrons exist, selected captive electrons are freed or provided from impurities and dopants to become conduction electrons from increased thermal vibration of constituent atoms in amorphous thin films. Additionally, a mechanism exists that seemingly decreases the surface resistivity at higher temperatures, suggesting a blocking effect for conducting electrons. Volume resistivity measurements also follow Ohm's law at low voltages (low electric fields), and they continue to decrease as temperatures increase in this temperature range, differing from surface resistivity behavior. Moreover, we report measurements of dielectric constant and dielectric loss as a function of temperature and frequency. Both the dielectric constant and dielectric loss were observed to be highest for MWCNT doped PVA compared to pure PVA and commercial paper, and with frequency and temperature for all samples.

VizieR Online Data Catalog: Structure of young stellar clusters. II. (Kuhn+, 2015)

NASA Astrophysics Data System (ADS)

Kuhn, M. A.; Getman, K. V.; Feigelson, E. D.

2015-07-01

We investigate the intrinsic stellar populations (estimated total numbers of OB and pre-main-sequence stars down to 0.1Mȯ) that are present in 17 massive star-forming regions (MSFRs) surveyed by the MYStIX project. The study is based on the catalog of >31000 MYStIX Probable Complex Members with both disk-bearing and disk-free populations, compensating for extinction, nebulosity, and crowding effects. Correction for observational sensitivities is made using the X-ray luminosity function and the near-infrared initial mass function --a correction that is often not made by infrared surveys of young stars. The resulting maps of the projected structure of the young stellar populations, in units of intrinsic stellar surface density, allow direct comparison between different regions. Several regions have multiple dense clumps, similar in size and density to the Orion Nebula Cluster. The highest projected density of ~34000 stars/pc2 is found in the core of the RCW 38 cluster. Histograms of surface density show different ranges of values in different regions, supporting the conclusion of Bressert et al. (B10; 2010MNRAS.409L..54B) that no universal surface-density threshold can distinguish between clustered and distributed star formation. However, a large component of the young stellar population of MSFRs resides in dense environments of 200-10000 stars/pc2 (including within the nearby Orion molecular clouds), and we find that there is no evidence for the B10 conclusion that such dense regions form an extreme "tail" of the distribution. Tables of intrinsic populations for these regions are used in our companion study of young cluster properties and evolution. (3 data files).

LENR BEC Clusters on and below Wires through Cavitation and Related Techniques

NASA Astrophysics Data System (ADS)

Stringham, Roger; Stringham, Julie

2011-03-01

During the last two years I have been working on BEC cluster densities deposited just under the surface of wires, using cavitation, and other techniques. If I get the concentration high enough before the clusters dissipate, in addition to cold fusion related excess heat (and other effects, including helium-4 formation) I anticipate that it may be possible to initiate transient forms of superconductivity at room temperature.

The effects of oil-in-water nanoemulsion polyethylene glycol surface density on intracellular stability, pharmacokinetics, and biodistribution in tumor bearing mice.

PubMed

Hak, Sjoerd; Garaiova, Zuzana; Olsen, Linda Therese; Nilsen, Asbjørn Magne; de Lange Davies, Catharina

2015-04-01

Lipid-based nanoparticles are extensively studied for drug delivery. These nanoparticles are often surface-coated with polyethylene glycol (PEG) to improve their biodistribution. Until now, the effects of varying PEG surface density have been studied in a narrow and low range. Here, the effects of high and a broad range of PEG surface densities on the in vivo performance of lipid-based nanoparticles were studied. Oil-in-water nanoemulsions were prepared with PEG surface densities of 5-50 mol%. Confocal microscopy was used to assess intracellular disintegration in vitro. In vivo pharmacokinetics and biodistribution in tumor bearing mice were studied using a small animal optical imager. PEG surface density did not affect intracellular nanoemulsion stability. Surprisingly, circulation half-lives decreased with increasing PEG surface density. A plausible explanation was that nanoemulsion with high (50 mol%) PEG surface density activated the complement in a whole blood assay, whereas nanoemulsion with low (5 mol%) PEG density did not. In vivo, nanoemulsion with low PEG surface density was mostly confined to the tumor and organs of the mononuclear phagocyte system, whereas nanoemulsion with high PEG density accumulated throughout the mouse. Optimal PEG surface density of lipid-based nanoparticles for tumor targeting was found to be below 10 mol%.

Optimization of electrocoagulation process to treat grey wastewater in batch mode using response surface methodology.

PubMed

Karichappan, Thirugnanasambandham; Venkatachalam, Sivakumar; Jeganathan, Prakash Maran

2014-01-10

Discharge of grey wastewater into the ecological system causes the negative impact effect on receiving water bodies. In this present study, electrocoagulation process (EC) was investigated to treat grey wastewater under different operating conditions such as initial pH (4-8), current density (10-30 mA/cm2), electrode distance (4-6 cm) and electrolysis time (5-25 min) by using stainless steel (SS) anode in batch mode. Four factors with five levels Box-Behnken response surface design (BBD) was employed to optimize and investigate the effect of process variables on the responses such as total solids (TS), chemical oxygen demand (COD) and fecal coliform (FC) removal. The process variables showed significant effect on the electrocoagulation treatment process. The results were analyzed by Pareto analysis of variance (ANOVA) and second order polynomial models were developed in order to study the electrocoagulation process statistically. The optimal operating conditions were found to be: initial pH of 7, current density of 20 mA/cm2, electrode distance of 5 cm and electrolysis time of 20 min. These results indicated that EC process can be scale up in large scale level to treat grey wastewater with high removal efficiency of TS, COD and FC.

Feasibility study of determining axial stress in ferromagnetic bars using reciprocal amplitude of initial differential susceptibility obtained from static magnetization by permanent magnets

NASA Astrophysics Data System (ADS)

Deng, Dongge; Wu, Xinjun

2018-03-01

An electromagnetic method for determining axial stress in ferromagnetic bars is proposed. In this method, the tested bar is under the static magnetization provided by permanent magnets. The tested bar do not have to be magnetized up to the technical saturation because reciprocal amplitude of initial differential susceptibility (RAIDS) is adopted as the feature parameter. RAIDS is calculated from the radial magnetic flux density Br Lo = 0.5 at the Lift-off Lo = 0.5 mm, radial magnetic flux density Br Lo = 1 at the Lift-off Lo = 1 mm and axial magnetic flux density Bz Lo = 1 at the Lift-off Lo = 1 mm from the surface of the tested bar. Firstly, the theoretical derivation of RAIDS is carried out according to Gauss' law for magnetism, Ampere's Law and the Rayleigh relation in Rayleigh region. Secondly, the experimental system is set up for a 2-meter length and 20 mm diameter steel bar. Thirdly, an experiment is carried out on the steel bar to analyze the relationship between the obtained RAIDS and the axial stress. Experimental results show that the obtained RAIDS decreases almost linearly with the increment of the axial stress inside the steel bar in the initial elastic region. The proposed method has the potential to determine tensile axial stress in the slender cylindrical ferromagnetic bar.

3D ELECTRON DENSITY DISTRIBUTIONS IN THE SOLAR CORONA DURING SOLAR MINIMA: ASSESSMENT FOR MORE REALISTIC SOLAR WIND MODELING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patoul, Judith de; Foullon, Claire; Riley, Pete, E-mail: j.depatoul@exeter.ac.uk, E-mail: c.foullon@exeter.ac.uk, E-mail: rileype@saic.com

Knowledge of the electron density distribution in the solar corona put constraints on the magnetic field configurations for coronal modeling and on initial conditions for solar wind modeling. We work with polarized SOHO/LASCO-C2 images from the last two recent minima of solar activity (1996–1997 and 2008–2010), devoid of coronal mass ejections. The goals are to derive the 4D electron density distributions in the corona by applying a newly developed time-dependent tomographic reconstruction method and to compare the results between the two solar minima and with two magnetohydrodynamic models. First, we confirm that the values of the density distribution in thermodynamic models aremore » more realistic than in polytropic ones. The tomography provides more accurate distributions in the polar regions, and we find that the density in tomographic and thermodynamic solutions varies with the solar cycle in both polar and equatorial regions. Second, we find that the highest-density structures do not always correspond to the predicted large-scale heliospheric current sheet or its helmet streamer but can follow the locations of pseudo-streamers. We deduce that tomography offers reliable density distributions in the corona, reproducing the slow time evolution of coronal structures, without prior knowledge of the coronal magnetic field over a full rotation. Finally, we suggest that the highest-density structures show a differential rotation well above the surface depending on how they are magnetically connected to the surface. Such valuable information on the rotation of large-scale structures could help to connect the sources of the solar wind to their in situ counterparts in future missions such as Solar Orbiter and Solar Probe Plus.« less

Thermodynamic stability in elastic systems: Hard spheres embedded in a finite spherical elastic solid.

PubMed

Solano-Altamirano, J M; Goldman, Saul

2015-12-01

We determined the total system elastic Helmholtz free energy, under the constraints of constant temperature and volume, for systems comprised of one or more perfectly bonded hard spherical inclusions (i.e. "hard spheres") embedded in a finite spherical elastic solid. Dirichlet boundary conditions were applied both at the surface(s) of the hard spheres, and at the outer surface of the elastic solid. The boundary conditions at the surface of the spheres were used to describe the rigid displacements of the spheres, relative to their initial location(s) in the unstressed initial state. These displacements, together with the initial positions, provided the final shape of the strained elastic solid. The boundary conditions at the outer surface of the elastic medium were used to ensure constancy of the system volume. We determined the strain and stress tensors numerically, using a method that combines the Neuber-Papkovich spherical harmonic decomposition, the Schwartz alternating method, and Least-squares for determining the spherical harmonic expansion coefficients. The total system elastic Helmholtz free energy was determined by numerically integrating the elastic Helmholtz free energy density over the volume of the elastic solid, either by a quadrature, or a Monte Carlo method, or both. Depending on the initial position of the hard sphere(s) (or equivalently, the shape of the un-deformed stress-free elastic solid), and the displacements, either stationary or non-stationary Helmholtz free energy minima were found. The non-stationary minima, which involved the hard spheres nearly in contact with one another, corresponded to lower Helmholtz free energies, than did the stationary minima, for which the hard spheres were further away from one another.

The Influence of Atomic Diffusion on Stellar Ages and Chemical Tagging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dotter, Aaron; Conroy, Charlie; Cargile, Phillip

2017-05-10

In the era of large stellar spectroscopic surveys, there is an emphasis on deriving not only stellar abundances but also the ages for millions of stars. In the context of Galactic archeology, stellar ages provide a direct probe of the formation history of the Galaxy. We use the stellar evolution code MESA to compute models with atomic diffusion—with and without radiative acceleration—and extra mixing in the surface layers. The extra mixing consists of both density-dependent turbulent mixing and envelope overshoot mixing. Based on these models we argue that it is important to distinguish between initial, bulk abundances (parameters) and current,more » surface abundances (variables) in the analysis of individual stellar ages. In stars that maintain radiative regions on evolutionary timescales, atomic diffusion modifies the surface abundances. We show that when initial, bulk metallicity is equated with current, surface metallicity in isochrone age analysis, the resulting stellar ages can be systematically overestimated by up to 20%. The change of surface abundances with evolutionary phase also complicates chemical tagging, which is the concept that dispersed star clusters can be identified through unique, high-dimensional chemical signatures. Stars from the same cluster, but in different evolutionary phases, will show different surface abundances. We speculate that calibration of stellar models may allow us to estimate not only stellar ages but also initial abundances for individual stars. In the meantime, analyzing the chemical properties of stars in similar evolutionary phases is essential to minimize the effects of atomic diffusion in the context of chemical tagging.« less

Analysis of Fc(epsilon)RI-mediated mast cell stimulation by surface-carried antigens.

PubMed Central

Schweitzer-Stenner, R; Tamir, I; Pecht, I

1997-01-01

Clustering of the type I receptor for IgE (Fc[epsilon]RI) on mast cells initiates a cascade of biochemical processes that result in secretion of inflammatory mediators. To determine the Fc(epsilon)RI proximity, cluster size, and mobility requirements for initiating the Fc(epsilon)RI cascade, a novel experimental protocol has been developed in which mast cells are reacted with glass surfaces carrying different densities of both antigen and bound IgE, and the cell's secretory response to these stimuli is measured. The results have been analyzed in terms of a model based on the following assumptions: 1) the glass surface antigen distribution and consequently that of the bound IgE are random; 2) Fc(epsilon)RI binding to these surface-bound IgEs immobilizes the former and saturates the latter; 3) the cell surface is formally divided into small elements, which function as a secretory stimulus unit when occupied by two or more immobilized IgE-Fc(epsilon)RI complexes; 4) alternatively, similar stimulatory units can be formed by binding of surface-carried IgE dimers to two Fc(epsilon)RI. This model yielded a satisfactory and self-consistent fitting of all of the different experimental data sets. Hence the present results establish the essential role of Fc(epsilon)RI immobilization for initiating its signaling cascade. Moreover, it provides independent support for the notion that as few as two Fc(epsilon)RIs immobilized at van der Waals contact constitute an "elementary stimulatory unit" leading to mast cell (RBL-2H3 line) secretory response. PMID:9168023

A new approach to the problem of bulk-mediated surface diffusion.

PubMed

Berezhkovskii, Alexander M; Dagdug, Leonardo; Bezrukov, Sergey M

2015-08-28

This paper is devoted to bulk-mediated surface diffusion of a particle which can diffuse both on a flat surface and in the bulk layer above the surface. It is assumed that the particle is on the surface initially (at t = 0) and at time t, while in between it may escape from the surface and come back any number of times. We propose a new approach to the problem, which reduces its solution to that of a two-state problem of the particle transitions between the surface and the bulk layer, focusing on the cumulative residence times spent by the particle in the two states. These times are random variables, the sum of which is equal to the total observation time t. The advantage of the proposed approach is that it allows for a simple exact analytical solution for the double Laplace transform of the conditional probability density of the cumulative residence time spent on the surface by the particle observed for time t. This solution is used to find the Laplace transform of the particle mean square displacement and to analyze the peculiarities of its time behavior over the entire range of time. We also establish a relation between the double Laplace transform of the conditional probability density and the Fourier-Laplace transform of the particle propagator over the surface. The proposed approach treats the cases of both finite and infinite bulk layer thicknesses (where bulk-mediated surface diffusion is normal and anomalous at asymptotically long times, respectively) on equal footing.

Self-sculpting of a dissolvable body due to gravitational convection

NASA Astrophysics Data System (ADS)

Davies Wykes, Megan S.; Huang, Jinzi Mac; Hajjar, George A.; Ristroph, Leif

2018-04-01

Natural sculpting processes such as erosion or dissolution often yield universal shapes that bear no imprint or memory of the initial conditions. Here we conduct laboratory experiments aimed at assessing the shape dynamics and role of memory for the simple case of a dissolvable boundary immersed in a fluid. Though no external flow is imposed, dissolution and consequent density differences lead to gravitational convective flows that in turn strongly affect local dissolving rates and shape changes, and we identify two distinct behaviors. A flat boundary dissolving from its lower surface tends to retain its overall shape (an example of near perfect memory) while bearing small-scale pits that reflect complex near-body flows. A boundary dissolving from its upper surface tends to erase its initial shape and form an upward spike structure that sharpens indefinitely. We propose an explanation for these different outcomes based on observations of the coupled shape dynamics, concentration fields, and flows.

Studies on biodegradation of crosslinked hydroxy terminated-poly(proplyene fumarate) and formation of scaffold for orthopedic applications.

PubMed

Shalumon, K T; Jayabalan, M

2009-12-01

Biodegradation of crosslinked-hydroxy terminated-poly(proplyene fumarate) (X-HTPPF) has been studied in simulated physiological media to assess the formation of porous scaffold structure for bone growth and remodeling in load bearing orthopedic applications. Variation in crosslink density and surface hydrophilicity of X-HTPPF are observed due to non-stoichiometric mass of reacting partners. These variations influence absorption of the medium and biodegradation during aging. Though the initial absorption of medium is relatively higher with the crosslinked polymer (PNVP1) having 63.6% HT-PPF and 36.4% comonomer n-vinyl pyrrolidone (NVP) during the initial period of aging, the weight loss due to subsequent degradation with time is relatively lesser. PNVP1 undergo slow degradation with formation of fibril structure on the surface. The present crosslinked material PNVP1 is a candidate for the load bearing orthopedic applications.

Insights from Synthetic Star-forming Regions. II. Verifying Dust Surface Density, Dust Temperature, and Gas Mass Measurements With Modified Blackbody Fitting

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koepferl, Christine M.; Robitaille, Thomas P.; Dale, James E., E-mail: koepferl@usm.lmu.de

We use a large data set of realistic synthetic observations (produced in Paper I of this series) to assess how observational techniques affect the measurement physical properties of star-forming regions. In this part of the series (Paper II), we explore the reliability of the measured total gas mass, dust surface density and dust temperature maps derived from modified blackbody fitting of synthetic Herschel observations. We find from our pixel-by-pixel analysis of the measured dust surface density and dust temperature a worrisome error spread especially close to star formation sites and low-density regions, where for those “contaminated” pixels the surface densitiesmore » can be under/overestimated by up to three orders of magnitude. In light of this, we recommend to treat the pixel-based results from this technique with caution in regions with active star formation. In regions of high background typical in the inner Galactic plane, we are not able to recover reliable surface density maps of individual synthetic regions, since low-mass regions are lost in the far-infrared background. When measuring the total gas mass of regions in moderate background, we find that modified blackbody fitting works well (absolute error: + 9%; −13%) up to 10 kpc distance (errors increase with distance). Commonly, the initial images are convolved to the largest common beam-size, which smears contaminated pixels over large areas. The resulting information loss makes this commonly used technique less verifiable as now χ {sup 2} values cannot be used as a quality indicator of a fitted pixel. Our control measurements of the total gas mass (without the step of convolution to the largest common beam size) produce similar results (absolute error: +20%; −7%) while having much lower median errors especially for the high-mass stellar feedback phase. In upcoming papers (Paper III; Paper IV) of this series we test the reliability of measured star formation rate with direct and indirect techniques.« less

An operando Raman study of molecular structure and reactivity of molybdenum(VI) oxide supported on anatase for the oxidative dehydrogenation of ethane.

PubMed

Tsilomelekis, George; Boghosian, Soghomon

2012-02-21

Supported molybdenum oxide catalysts on TiO(2) (anatase) with surface densities in the range of 1.8-17.0 Mo per nm(2) were studied at temperatures of 410-480 °C for unraveling the configuration and molecular structure of the deposited (MoO(x))(n) species and examining their behavior for the ethane oxidative dehydrogenation (ODH). In situ Raman and in situ FTIR spectra under oxidizing conditions combined with (18)O/(16)O isotope exchange studies provide the first sound evidence for mono-oxo configuration for the deposited (MoO(x))(n) species on anatase. Isolated O=Mo(-O-)(3) tetra-coordinated species in C(3v)-like symmetry prevail at all surface coverages with a low presence of associated (polymeric) species (probably penta-coordinated) evidenced at high coverages, below the approximate monolayer of 6 Mo per nm(2). A mechanistic scenario for (18)O/(16)O isotope exchange and next-nearest-neighbor vibrational isotope effect is proposed at the molecular level to account for the pertinent spectral observations. Catalytic measurements for ethane ODH with simultaneous monitoring of operando Raman spectra were performed. The selectivity to ethylene increases with increasing surface density up to the monolayer coverage, where primary steps of ethane activation follow selective reaction pathways leading to ∼100% C(2)H(4) selectivity. The operando Raman spectra and a quantitative exploitation of the relative normalized Mo=O band intensities for surface densities of 1.8-5.9 Mo per nm(2) and various residence times show that the terminal Mo=O sites are involved in non-selective reaction turnovers. Reaction routes follow primarily non-selective pathways at low coverage and selective pathways at high coverage. Trends in the initial rates of ethane consumption (apparent reactivity per Mo) as a function of Mo surface density are discussed on the basis of several factors.

Initial stage corrosion of nanocrystalline copper particles and thin films

NASA Astrophysics Data System (ADS)

Tao, Weimin

1997-12-01

Corrosion behavior is an important issue in nanocrystalline materials research and development. A very fine grain size is expected to have significant effects on the corrosion resistance of these novel materials. However, both the macroscopic corrosion properties and the corresponding structure evolution during corrosion have not been fully studied. Under such circumstances, conducting fundamental research in this area is important and necessary. In this study, high purity nanocrystalline and coarse-grained copper were selected as our sample material, sodium nitrite aqueous solution at room temperature and air at a high temperature were employed as corrosive environments. The weight loss testing and electrochemical methods were used to obtain the macroscopic corrosion properties, whereas the high resolution transmission electron microscope was employed for the structure analysis. The weight loss tests indicate that the corrosion rate of nanocrystalline copper is about 5 times higher than that of coarse-grained copper at the initial stage of corrosion. The electrochemical measurements show that the corrosion potential of the nanocrystalline copper has a 230 mV negative shift in comparison with that of the coarse-grained copper. The nanocrystalline copper also exhibits a significantly higher exchange current density than the coarse-grained copper. High resolution TEM revealed that the surface structure changes at the initial stage of corrosion. It was found that the first copper oxide layer formed on the surface of nanocrystalline copper thin film contains a large density of high angle grain boundaries, whereas that formed on the surface of coarse-grained copper shows highly oriented oxide nuclei and appears to show a strong tendency for forming low angle grain boundaries. A correlation between the macroscopic corrosion properties and the structure characteristics is proposed for the nanocrystalline copper based on the concept of the "apparent" exchange current density associated with mass transport of ions in the oxide layer. A hypothesis is developed that the high corrosion rate of the nanocrystalline copper is closely associated with the structure of the copper oxide layer. Therefore, a high "apparent" exchange current density for the nanocrystalline copper is associated with the high angle grain boundary structure in the initial oxide layer. Additional structure analysis was also carried out: (a) High resolution TEM imaging has provided a cross sectional view of the epitaxial interface between nanocrystalline copper and copper (I) oxide and explicitly discloses the presence of interface defects such as misfit dislocations. Based on this observation, a mechanism was proposed to explain the Cu/Cusb2O interface misfit accommodation. This appears to be the first time this interface has been directly examined. (b) A nanocrystalline analogue to a cross-section of Gwathmey's copper single crystal sphere was revealed by high resolution TEM imaging. A partially oxidized nanocrystalline copper particle is used to examine the variation of the Cu/Cusb2O orientation relationship with respect to changes in surface orientation. A new orientation relationship, Cu (011) //Cusb2O (11), ˜ Cu(011)//Cusb2O(111), was found for the oxidation of nanocrystalline copper.

Density functional theory simulation of titanium migration and reaction with oxygen in the early stages of oxidation of equiatomic NiTi alloy.

PubMed

Nolan, Michael; Tofail, Syed A M

2010-05-01

The biocompatibility of NiTi shape memory alloys (SMA) has made possible applications in self-expandable cardio-vascular stents, stone extraction baskets, catheter guide wires and other invasive and minimally invasive biomedical devices. The NiTi intermetallic alloy spontaneously forms a thin passive layer of TiO(2), which provides its biocompatibility. The oxide layer is thought to form as the Ti in the alloy surface reacts with oxygen, resulting in a depletion of Ti in the subsurface region - experimental evidence indicates formation of a Ni-rich layer below the oxide film. In this paper, we study the initial stages of oxide growth on the (110) surface of the NiTi alloy to understand the formation of alloy/oxide interface. We initially adsorb atomic and molecular oxygen on the (110) surface and then successively add O(2) molecules, up to 2 monolayer of O(2). Oxygen adsorption always results in a large energy gain. With atomic oxygen, Ti is pulled out of the surface layer leaving behind a Ni-rich subsurface region. Molecular O(2), on the other hand adsorbs dissociatively and pulls a Ti atom farther out of the surface layer. The addition of further O(2) up to 1 monolayer is also dissociative and results in complete removal of Ti from the initial surface layer. When further O(2) is added up to 2 monolayer, Ti is pulled even further out of the surface and a single thin layer of composition O-Ti-O is formed. The electronic structure shows that the metallic character of the alloy is unaffected by interaction with oxygen and formation of the oxide layer, consistent with the oxide layer being a passivant. Copyright 2010 Elsevier Ltd. All rights reserved.

High-density defects on PdAg nanowire networks as catalytic hot spots for efficient dehydrogenation of formic acid and reduction of nitrate.

PubMed

Liu, Hu; Yu, Yongsheng; Yang, Weiwei; Lei, Wenjuan; Gao, Manyi; Guo, Shaojun

2017-07-13

Controlling the surface defects of nanocrystals is a new way of tuning/boosting their catalytic properties. Herein, we report networked PdAg nanowires (NWs) with high-density defects as catalytic hot spots for efficient catalytic dehydrogenation of formic acid (FA) and catalytic reduction of nitrates. The networked PdAg NWs exhibit composition-dependent catalytic activity for the dehydrogenation reaction of FA without any additive, with Pd 5 Ag 5 NWs exhibiting the highest activity. They also show good durability, reflected by the retention of their initial activity during the dehydrogenation reaction of FA even after five cycles. Their initial TOF is 419 h -1 at 60 °C in water solution, much higher than those of the most Pd-based catalysts with a support. Moreover, they can efficiently reduce nitrates to alleviate nitrate pollution in water (conversion yield >99%). This strategy opens up a new green synthetic technique to design support-free heterogeneous catalysts with high-density defects as catalytic hot spots for efficient dehydrogenation catalysis of FA to meet the requirement of fuel cell applications and catalytic reduction of nitrates in water polluted with nitrates.

Coarse-grained description of cosmic structure from Szekeres models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sussman, Roberto A.; Gaspar, I. Delgado; Hidalgo, Juan Carlos, E-mail: sussman@nucleares.unam.mx, E-mail: ismael.delgadog@uaem.edu.mx, E-mail: hidalgo@fis.unam.mx

2016-03-01

We show that the full dynamical freedom of the well known Szekeres models allows for the description of elaborated 3-dimensional networks of cold dark matter structures (over-densities and/or density voids) undergoing ''pancake'' collapse. By reducing Einstein's field equations to a set of evolution equations, which themselves reduce in the linear limit to evolution equations for linear perturbations, we determine the dynamics of such structures, with the spatial comoving location of each structure uniquely specified by standard early Universe initial conditions. By means of a representative example we examine in detail the density contrast, the Hubble flow and peculiar velocities ofmore » structures that evolved, from linear initial data at the last scattering surface, to fully non-linear 10–20 Mpc scale configurations today. To motivate further research, we provide a qualitative discussion on the connection of Szekeres models with linear perturbations and the pancake collapse of the Zeldovich approximation. This type of structure modelling provides a coarse grained—but fully relativistic non-linear and non-perturbative —description of evolving large scale cosmic structures before their virialisation, and as such it has an enormous potential for applications in cosmological research.« less

Computer simulation of the matrix-inclusion interphase in bulk metallic glass based nanocomposites

NASA Astrophysics Data System (ADS)

Kokotin, V.; Hermann, H.; Eckert, J.

2011-10-01

Atomistic models for matrix-inclusion systems are generated. Analyses of the systems show that interphase layers of finite thickness appear interlinking the surface of the nanocrystalline inclusion and the embedding amorphous matrix. In a first approximation, the interphase is characterized as an amorphous structure with a density slightly reduced compared to that of the matrix. This result holds for both monatomic hard sphere systems and a Cu47.5Zr47.5Al5 alloy simulated by molecular dynamics (MD). The elastic shear and bulk modulus of the interphase are calculated by simulated deformation of the MD systems. Both moduli diminish with decreasing density but the shear modulus is more sensitive against density reduction by one order of magnitude. This result explains recent observations of shear band initiation at the amorphous-crystalline interface during plastic deformation.

Subsonic and Supersonic shear flows in laser driven high-energy-density plasmas

NASA Astrophysics Data System (ADS)

Harding, E. C.; Drake, R. P.; Gillespie, R. S.; Grosskopf, M. J.; Kuranz, C. C.; Visco, A.; Ditmar, J. R.; Aglitskiy, Y.; Weaver, J. L.; Velikovich, A. L.; Hurricane, O. A.; Hansen, J. F.; Remington, B. A.; Robey, H. F.; Bono, M. J.; Plewa, T.

2009-05-01

Shear flows arise in many high-energy-density (HED) and astrophysical systems, yet few laboratory experiments have been carried out to study their evolution in these extreme environments. Fundamentally, shear flows can initiate mixing via the Kelvin-Helmholtz (KH) instability and may eventually drive a transition to turbulence. We present two dedicated shear flow experiments that created subsonic and supersonic shear layers in HED plasmas. In the subsonic case the Omega laser was used to drive a shock wave along a rippled plastic interface, which subsequently rolled-upped into large KH vortices. In the supersonic shear experiment the Nike laser was used to drive Al plasma across a low-density foam surface also seeded with a ripple. Unlike the subsonic case, detached shocks developed around the ripples in response to the supersonic Al flow.

A new route for chitosan immobilization onto polyethylene surface.

PubMed

Popelka, Anton; Novák, Igor; Lehocký, Marián; Junkar, Ita; Mozetič, Miran; Kleinová, Angela; Janigová, Ivica; Slouf, Miroslav; Bílek, František; Chodák, Ivan

2012-11-06

Low-density polyethylene (LDPE) belongs to commodity polymer materials applied in biomedical applications due to its favorable mechanical and chemical properties. The main disadvantage of LDPE in biomedical applications is low resistance to bacterial infections. An antibacterial modification of LDPE appears to be a solution to this problem. In this paper, the chitosan and chitosan/pectin multilayer was immobilized via polyacrylic acid (PAA) brushes grafted on the LDPE surface. The grafting was initiated by a low-temperature plasma treatment of the LDPE surface. Surface and adhesive properties of the samples prepared were investigated by surface analysis techniques. An antibacterial effect was confirmed by inhibition zone measurements of Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). The chitosan treatment of LDPE led to the highest and most clear inhibition zones (35 mm(2) for E. coli and 275 mm(2) for S. aureus). Copyright © 2012 Elsevier Ltd. All rights reserved.

Probing the energetics of organic–nanoparticle interactions of ethanol on calcite

PubMed Central

Wu, Di; Navrotsky, Alexandra

2015-01-01

Knowing the nature of interactions between small organic molecules and surfaces of nanoparticles (NP) is crucial for fundamental understanding of natural phenomena and engineering processes. Herein, we report direct adsorption enthalpy measurement of ethanol on a series of calcite nanocrystals, with the aim of mimicking organic–NP interactions in various environments. The energetics suggests a spectrum of adsorption events as a function of coverage: strongest initial chemisorption on active sites on fresh calcite surfaces, followed by major chemical binding to form an ethanol monolayer and, subsequently, very weak, near-zero energy, physisorption. These thermochemical observations directly support a structure where the ethanol monolayer is bonded to the calcite surface through its polar hydroxyl group, leaving the hydrophobic ends of the ethanol molecules to interact only weakly with the next layer of adsorbing ethanol and resulting in a spatial gap with low ethanol density between the monolayer and subsequent added ethanol molecules, as predicted by molecular dynamics and density functional calculations. Such an ordered assembly of ethanol on calcite NP is analogous to, although less strongly bonded than, a capping layer of organics intentionally introduced during NP synthesis, and suggests a continuous variation of surface structure depending on molecular chemistry, ranging from largely disordered surface layers to ordered layers that nevertheless are mobile and can rearrange or be displaced by other molecules to strongly bonded immobile organic capping layers. These differences in surface structure will affect chemical reactions, including the further nucleation and growth of nanocrystals on organic ligand-capped surfaces. PMID:25870281

A new temperature and humidity dependent surface site density approach for deposition ice nucleation

NASA Astrophysics Data System (ADS)

Steinke, I.; Hoose, C.; Möhler, O.; Connolly, P.; Leisner, T.

2014-07-01

Deposition nucleation experiments with Arizona Test Dust (ATD) as a surrogate for mineral dusts were conducted at the AIDA cloud chamber at temperatures between 220 and 250 K. The influence of the aerosol size distribution and the cooling rate on the ice nucleation efficiencies was investigated. Ice nucleation active surface site (INAS) densities were calculated to quantify the ice nucleation efficiency as a function of temperature, humidity and the aerosol surface area concentration. Additionally, a contact angle parameterization according to classical nucleation theory was fitted to the experimental data in order to relate the ice nucleation efficiencies to contact angle distributions. From this study it can be concluded that the INAS density formulation is a very useful tool to decribe the temperature and humidity dependent ice nucleation efficiency of ATD particles. Deposition nucleation on ATD particles can be described by a temperature and relative humidity dependent INAS density function ns(T, Sice) with ns(xtherm) = 1.88 × 105 \\centerdot exp(0.2659 \\centerdot xtherm) [m-2] (1) where the thermodynamic variable xtherm is defined as xtherm = -(T - 273.2) + (Sice-1) × 100 (2) with Sice>1 and within a temperature range between 226 and 250 K. For lower temperatures, xtherm deviates from a linear behavior with temperature and relative humidity over ice. Two different approaches for describing the time dependence of deposition nucleation initiated by ATD particles are proposed. Box model estimates suggest that the time dependent contribution is only relevant for small cooling rates and low number fractions of ice-active particles.

Initial oxidation behavior of Ni3Al (210) surface induced by supersonic oxygen molecular beam at room temperature

NASA Astrophysics Data System (ADS)

Xu, Ya; Sakurai, Junya; Teraoka, Yuden; Yoshigoe, Akitaka; Demura, Masahiko; Hirano, Toshiyuki

2017-01-01

The initial oxidation behavior of a clean Ni3Al (210) surface was studied at 300 K using a supersonic O2 molecular beam (O2 SSMB) having an O2 translational energy of 2.3 eV, and real-time photoemission spectroscopy performed with high-brilliance synchrotron radiation. The evolution behaviors of the O 1s, Ni 2p, Al 2p, and Ni 3p spectra were examined during irradiation with the O2 SSMB. The spectral analysis revealed that both the Al atoms and the Ni atoms on the surface were oxidized; however, the oxidation of Al progressed much faster than that of Ni. The oxidation of Al began to occur and AlOx was formed at an oxygen coverage of 0.26 monolayer (ML) (1 ML was defined as the atomic density of the Ni3Al (210) surface) and saturated at an oxygen coverage of 2.5 ML. In contrast, the oxidation of Ni commenced a little late at an oxygen coverage of 1.6 ML and slowly progressed to saturation, which occurred at an oxygen coverage of 4.89 ML.

Correction of localized shape errors on optical surfaces by altering the localized density of surface or near-surface layers

DOEpatents

Taylor, John S.; Folta, James A.; Montcalm, Claude

2005-01-18

Figure errors are corrected on optical or other precision surfaces by changing the local density of material in a zone at or near the surface. Optical surface height is correlated with the localized density of the material within the same region. A change in the height of the optical surface can then be caused by a change in the localized density of the material at or near the surface.

High performance zinc anode for battery applications

NASA Technical Reports Server (NTRS)

Casey, John E., Jr. (Inventor)

1998-01-01

An improved zinc anode for use in a high density rechargeable alkaline battery is disclosed. A process for making the zinc electrode comprises electrolytic loading of the zinc active material from a slightly acidic zinc nitrate solution into a substrate of nickel, copper or silver. The substrate comprises a sintered plaque having very fine pores, a high surface area, and 80-85 percent total initial porosity. The residual porosity after zinc loading is approximately 25-30%. The electrode of the present invention exhibits reduced zinc mobility, shape change and distortion, and demonstrates reduced dendrite buildup cycling of the battery. The disclosed battery is useful for applications requiring high energy density and multiple charge capability.

EFFECTS OF LASER RADIATION ON MATTER: Fast holographic cinematography of a laser plasma

NASA Astrophysics Data System (ADS)

Barikhin, B. A.; Ivanov, A. Yu; Nedolugov, V. I.

1990-11-01

A fast holographic cinematography method was used in an investigation of a laser plasma initiated at the surfaces of metal samples by pulses from a rhodamine laser. The time evolution of the electron densities and heavy-particle concentrations was determined and a study was made of the nature of motion of a shock wave front. A weak dependence of the evolution of the shock wave velocity on the target materials (aluminum, copper, zinc) was observed in the average power density range 10-25 MW/cm2. A faster increase in the dimensions of a refracting plasma region, compared with a luminous region, and strong expulsion of cold air by an erosion plasma were recorded.

An in vitro bacterial adhesion assessment of surface-modified medical-grade PVC.

PubMed

Asadinezhad, Ahmad; Novák, Igor; Lehocký, Marián; Sedlarík, Vladimir; Vesel, Alenka; Junkar, Ita; Sáha, Petr; Chodák, Ivan

2010-06-01

Medical-grade polyvinyl chloride was surface modified by a multistep physicochemical approach to improve bacterial adhesion prevention properties. This was fulfilled via surface activation by diffuse coplanar surface barrier discharge plasma followed by radical graft copolymerization of acrylic acid through surface-initiated pathway to render a structured high density brush. Three known antibacterial agents, bronopol, benzalkonium chloride, and chlorhexidine, were then individually coated onto functionalized surface to induce biological properties. Various modern surface probe techniques were employed to explore the effects of the modification steps. In vitro bacterial adhesion and biofilm formation assay was performed. Escherichia coli strain was found to be more susceptible to modifications rather than Staphylococcus aureus as up to 85% reduction in adherence degree of the former was observed upon treating with above antibacterial agents, while only chlorhexidine could retard the adhesion of the latter by 50%. Also, plasma treated and graft copolymerized samples were remarkably effective to diminish the adherence of E. coli. Copyright 2010 Elsevier B.V. All rights reserved.

Extracting the distribution of laser damage precursors on fused silica surfaces for 351 nm, 3 ns laser pulses at high fluences (20-150 J/cm2).

PubMed

Laurence, Ted A; Bude, Jeff D; Ly, Sonny; Shen, Nan; Feit, Michael D

2012-05-07

Surface laser damage limits the lifetime of optics for systems guiding high fluence pulses, particularly damage in silica optics used for inertial confinement fusion-class lasers (nanosecond-scale high energy pulses at 355 nm/3.5 eV). The density of damage precursors at low fluence has been measured using large beams (1-3 cm); higher fluences cannot be measured easily since the high density of resulting damage initiation sites results in clustering. We developed automated experiments and analysis that allow us to damage test thousands of sites with small beams (10-30 µm), and automatically image the test sites to determine if laser damage occurred. We developed an analysis method that provides a rigorous connection between these small beam damage test results of damage probability versus laser pulse energy and the large beam damage results of damage precursor densities versus fluence. We find that for uncoated and coated fused silica samples, the distribution of precursors nearly flattens at very high fluences, up to 150 J/cm2, providing important constraints on the physical distribution and nature of these precursors.

The anodizing behavior of aluminum in malonic acid solution and morphology of the anodic films

NASA Astrophysics Data System (ADS)

Ren, Jianjun; Zuo, Yu

2012-11-01

The anodizing behavior of aluminum in malonic acid solution and morphology of the anodic films were studied. The voltage-time response for galvanostatic anodization of aluminum in malonic acid solution exhibits a conventional three-stage feature but the formation voltage is much higher. With the increase of electrolyte concentration, the electrolyte viscosity increases simultaneously and the high viscosity decreases the film growth rate. With the concentration increase of the malonic acid electrolyte, the critical current density that initiates local "burning" on the sample surface decreases. For malonic acid anodization, the field-assisted dissolution on the oxide surface is relatively weak and the nucleation of pores is more difficult, which results in greater barrier layer thickness and larger cell dimension. The embryo of the porous structure of anodic film has been created within the linear region of the first transient stage, and the definite porous structure has been established before the end of the first transient stage. The self-ordering behavior of the porous film is influenced by the electrolyte concentration, film thickness and the applied current density. Great current density not only improves the cell arrangement order but also brings about larger cell dimension.

Large-eddy-simulation approach in understanding flow structures of 2D turbulent density currents over sloping surfaces

NASA Astrophysics Data System (ADS)

Nayamatullah, M.; Rao Pillalamarri, Narasimha; Bhaganagar, Kiran

2018-04-01

A numerical investigation was performed to understand the flow dynamics of 2D density currents over sloping surfaces. Large eddy simulation was conducted for lock-exchange (L-E) release currents and overflows. 2D Navier-Stokes equations were solved using the Boussinesq approximation. The effects of the lock aspect-ratio (height/length of lock), slope, and Reynolds number on the flow structures and turbulence mixing have been analyzed. Results have confirmed buoyancy within the head of the two-dimensional currents is not conserved which contradicts the classical thermal theory. The lock aspect-ratio dictates the fraction of initial buoyancy which is carried by the head of the current at the beginning of the slumping (horizontal) and accelerating phase (over a slope), which has important implications on turbulence kinetic energy production, and hence mixing in the current. For L-E flows over a slope, increasing slope angle enhances the turbulence production. Increasing slope results in shear reversal within the density current resulting in shear-instabilities. Differences in turbulence production mechanisms and flow structures exist between the L-E and constant-flux release currents resulting in significant differences in the flow characteristics between different releases.

Low-Dimensional Materials for Optoelectronic and Bioelectronic Applications

NASA Astrophysics Data System (ADS)

Hong, Tu

In this thesis, we first discuss the fundamentals of ab initio electronic structure theory and density functional theory (DFT). We also discuss statistics related to computing thermodynamic averages of molecular dynamics (MD). We then use this theory to analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid watergraphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the platinum surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water. Lastly, we introduce artificial neural networks (ANNs), and demonstrate how they can be used to machine learn electronic structure calculations. As a proof of principle, we show the success of an ANN potential energy surfaces for a dimer molecule with a Lennard-Jones potential.

Platinum and rhenium extraction from a spent refinery catalyst using Bacillus megaterium as a cyanogenic bacterium: statistical modeling and process optimization.

PubMed

Motaghed, M; Mousavi, S M; Rastegar, S O; Shojaosadati, S A

2014-11-01

The present study evaluated the potential of Bacillus megaterium as a cyanogenic bacterium to produce cyanide for solubilization of platinum and rhenium from a spent refinery catalyst. Response surface methodology was applied to study the effects and interaction between two main effective parameters including initial glycine concentration and pulp density. Maximum Pt and Re recovery was obtained 15.7% and 98%, respectively, under optimum conditions of 12.8 g/l initial glycine concentration and 4% (w/v) pulp density after 7 days. Increasing the free cyanide concentration to 3.6 mg/l, varying the pH from 6.7 to 9, and increasing the dissolved oxygen from 2 to 5mg/l demonstrated the growth characteristics of B. megaterium during bioleaching process. The modified shrinking core model was used to determine the rate limiting step of the process. It was found that diffusion through the product layer is the rate controlling step. Copyright © 2014 Elsevier Ltd. All rights reserved.

Optimizing finite element predictions of local subchondral bone structural stiffness using neural network-derived density-modulus relationships for proximal tibial subchondral cortical and trabecular bone.

PubMed

Nazemi, S Majid; Amini, Morteza; Kontulainen, Saija A; Milner, Jaques S; Holdsworth, David W; Masri, Bassam A; Wilson, David R; Johnston, James D

2017-01-01

Quantitative computed tomography based subject-specific finite element modeling has potential to clarify the role of subchondral bone alterations in knee osteoarthritis initiation, progression, and pain. However, it is unclear what density-modulus equation(s) should be applied with subchondral cortical and subchondral trabecular bone when constructing finite element models of the tibia. Using a novel approach applying neural networks, optimization, and back-calculation against in situ experimental testing results, the objective of this study was to identify subchondral-specific equations that optimized finite element predictions of local structural stiffness at the proximal tibial subchondral surface. Thirteen proximal tibial compartments were imaged via quantitative computed tomography. Imaged bone mineral density was converted to elastic moduli using multiple density-modulus equations (93 total variations) then mapped to corresponding finite element models. For each variation, root mean squared error was calculated between finite element prediction and in situ measured stiffness at 47 indentation sites. Resulting errors were used to train an artificial neural network, which provided an unlimited number of model variations, with corresponding error, for predicting stiffness at the subchondral bone surface. Nelder-Mead optimization was used to identify optimum density-modulus equations for predicting stiffness. Finite element modeling predicted 81% of experimental stiffness variance (with 10.5% error) using optimized equations for subchondral cortical and trabecular bone differentiated with a 0.5g/cm 3 density. In comparison with published density-modulus relationships, optimized equations offered improved predictions of local subchondral structural stiffness. Further research is needed with anisotropy inclusion, a smaller voxel size and de-blurring algorithms to improve predictions. Copyright © 2016 Elsevier Ltd. All rights reserved.

III-V compound semiconductor growth on silicon via germanium buffer and surface passivation for CMOS technology

NASA Astrophysics Data System (ADS)

Choi, Donghun

Integration of III-V compound semiconductors on silicon substrates has recently received much attention for the development of optoelectronic and high speed electronic devices. However, it is well known that there are some key challenges for the realization of III-V device fabrication on Si substrates: (i) the large lattice mismatch (in case of GaAs: 4.1%), and (ii) the formation of antiphase domain (APD) due to the polar compound semiconductor growth on non-polar elemental structure. Besides these growth issues, the lack of a useful surface passivation technology for compound semiconductors has precluded development of metal-oxide-semiconductor (MOS) devices and causes high surface recombination parasitics in scaled devices. This work demonstrates the growth of high quality III-V materials on Si via an intermediate Ge buffer layer and some surface passivation methods to reduce interface defect density for the fabrication of MOS devices. The initial goal was to achieve both low threading dislocation density (TDD) and low surface roughness on Ge-on-Si heterostructure growth. This was achieved by repeating a deposition-annealing cycle consisting of low temperature deposition + high temperature-high rate deposition + high temperature hydrogen annealing, using reduced-pressure chemical-vapor deposition (CVD). We then grew III-V materials on the Ge/Si virtual substrates using molecular-beam epitaxy (MBE). The relationship between initial Ge surface configuration and antiphase boundary formation was investigated using surface reflection high-energy electron diffraction (RHEED) patterns and atomic force microscopy (AFM) image analysis. In addition, some MBE growth techniques, such as migration enhanced epitaxy (MEE) and low temperature GaAs growth, were adopted to improve surface roughness and solve the Ge self-doping problem. Finally, an Al2O3 gate oxide layer was deposited using atomic-layer-deposition (ALD) system after HCl native oxide etching and ALD in-situ pre-annealing at 400 °C. A 100 nm thick aluminum layer was deposited to form the gate contact for a MOS device fabrication. C-V measurement results show very small frequency dispersion and 200-300 mV hysteresis, comparable to our best results for InGaAs/GaAs MOS structures on GaAs substrate. Most notably, the quasi-static C-V curve demonstrates clear inversion layer formation. I-V curves show a reasonable leakage current level. The inferred midgap interface state density, Dit, of 2.4 x 1012 eV-1cm-2 was calculated by combined high-low frequency capacitance method. In addition, we investigated the interface properties of amorphous LaAlO 3/GaAs MOS capacitors fabricated on GaAs substrate. The surface was protected during sample transfer between III-V and oxide molecular beam deposition (MBD) chambers by a thick arsenic-capping layer. An annealing method, a low temperature-short time RTA followed by a high temperature RTA, was developed, yielding extremely small hysteresis (˜ 30 mV), frequency dispersion (˜ 60 mV), and interface trap density (mid 1010 eV-1cm -2). We used capacitance-voltage (C-V) and current-voltage (I-V) measurements for electrical characterization of MOS devices, tapping-mode AFM for surface morphology analysis, X-ray photoelectron spectroscopy (XPS) for chemical elements analysis of interface, cross section transmission-electron microscopy (TEM), X-ray diffraction (XRD), secondary ion mass spectrometry (SIMS), and photoluminescence (PL) measurement for film quality characterization. This successful growth and appropriate surface treatments of III-V materials provides a first step for the fabrication of III-V optical and electrical devices on the same Si-based electronic circuits.

Current-voltage characteristics influenced by the nanochannel diameter and surface charge density in a fluidic field-effect-transistor.

PubMed

Singh, Kunwar Pal; Guo, Chunlei

2017-06-21

The nanochannel diameter and surface charge density have a significant impact on current-voltage characteristics in a nanofluidic transistor. We have simulated the effect of the channel diameter and surface charge density on current-voltage characteristics of a fluidic nanochannel with positive surface charge on its walls and a gate electrode on its surface. Anion depletion/enrichment leads to a decrease/increase in ion current with gate potential. The ion current tends to increase linearly with gate potential for narrow channels at high surface charge densities and narrow channels are more effective to control the ion current at high surface charge densities. The current-voltage characteristics are highly nonlinear for wide channels at low surface charge densities and they show different regions of current change with gate potential. The ion current decreases with gate potential after attaining a peak value for wide channels at low values of surface charge densities. At low surface charge densities, the ion current can be controlled by a narrow range of gate potentials for wide channels. The current change with source drain voltage shows ohmic, limiting and overlimiting regions.

Exact Solutions for Wind-Driven Coastal Upwelling and Downwelling over Sloping Topography

NASA Astrophysics Data System (ADS)

Choboter, P.; Duke, D.; Horton, J.; Sinz, P.

2009-12-01

The dynamics of wind-driven coastal upwelling and downwelling are studied using a simplified dynamical model. Exact solutions are examined as a function of time and over a family of sloping topographies. Assumptions in the two-dimensional model include a frictionless ocean interior below the surface Ekman layer, and no alongshore dependence of the variables; however, dependence in the cross-shore and vertical directions is retained. Additionally, density and alongshore momentum are advected by the cross-shore velocity in order to maintain thermal wind. The time-dependent initial-value problem is solved with constant initial stratification and no initial alongshore flow. An alongshore pressure gradient is added to allow the cross-shore flow to be geostrophically balanced far from shore. Previously, this model has been used to study upwelling over flat-bottom and sloping topographies, but the novel feature in this work is the discovery of exact solutions for downwelling. These exact solutions are compared to numerical solutions from a primitive-equation ocean model, based on the Princeton Ocean Model, configured in a similar two-dimensional geometry. Many typical features of the evolution of density and velocity during downwelling are displayed by the analytical model.

Density-dependent regulation of growth of BSC-1 cells in cell culture: control of growth by serum factors.

PubMed Central

Holley, R W; Armour, R; Baldwin, J H; Brown, K D; Yeh, Y C

1977-01-01

BSC-1 cells grow slowly, to high cell density, in medium with 0.1% calf serum. An increase in the serum concentration increases both the growth rate of the cells and the final cell density. The serum can be replaced to some extent by epidermal growth factor (EGF). Initiation of DNA synthesis in BSC-1 cells that have spread into a "wound" in a crowded cell layer requires the addition of a trace of serum or EGF, if the cells have previously been deprived of serum. The binding of 125I-labeled EGF to low-density and high-density BSC-1 cells has been studied. Binding is faster to low-density cells. Cells at low cell density also bind much more EGF per cell than cells at high cell density. The fraction of bound 125I-labeled EGF that is present on the cell surface as intact EGF is larger at low than at high cell density. The results indicate that the number of available EGF receptors per cell decreases drastically as the cell density increases. It is suggested that a decrease in the number of available EGF receptor sites per cell, and the accompanying decrease in sensitivity of the cells to EGF, contributes to density-dependent regulation of growth of these cells. Images PMID:303774

Multimode theory of plasmon excitation at a metal - photonic crystal interface

NASA Astrophysics Data System (ADS)

Kuznetsova, T. I.; Raspopov, N. A.

2017-12-01

Surface plasmon excitation at a photonic crystal - metal interface is studied taking into account multiple scattering of an initial light wave on a periodical crystal structure. The analysis is focused on calculating characteristics of the eigenwaves in a one-dimensional crystal, which comprise a set of harmonics with the wavevectors separated from each other by the value of the crystal lattice wavevector. Reflection from the crystal - metal interface binds the amplitudes of propagating and evanescent modes. Calculations show that for the dielectric characteristics of a synthetic opal and a substrate made of a real metal with a ruby laser radiation used as the initial wave, the fulfilment of plasmon resonance conditions leads to a local increase in the surface plasmon amplitude by a factor of 6.4 - 9 as compared to the average amplitude of the initial wave. As a rule, the effect can only be obtained for a single surface wave, all other waves being substantially weaker than the main plasmon. There is a specific case where the resonance condition holds for two modes simultaneously. In this case, two oppositely directed fluxes of equal intensity are generated at the interface. The resonance condition breaks at a small deviation of the incident angle of the initial wave θ from the normal direction (|θ| ⩾ 10-4 rad). In the latter case, the picture is asymmetric: at angles |θ| ⩾ 5 × 10-3 rad, only one plasmon remains intensive. The local density of electromagnetic energy at the photonic crystal - metal interface may exceed the corresponding value of the initial wave by a factor of 40 - 80.

On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations.

PubMed

Ravipati, Srikanth; Aymard, Benjamin; Kalliadasis, Serafim; Galindo, Amparo

2018-04-28

We present a new methodology to estimate the contact angles of sessile drops from molecular simulations by using the Gaussian convolution method of Willard and Chandler [J. Phys. Chem. B 114, 1954-1958 (2010)] to calculate the coarse-grained density from atomic coordinates. The iso-density contour with average coarse-grained density value equal to half of the bulk liquid density is identified as the average liquid-vapor (LV) interface. Angles between the unit normal vectors to the average LV interface and unit normal vector to the solid surface, as a function of the distance normal to the solid surface, are calculated. The cosines of these angles are extrapolated to the three-phase contact line to estimate the sessile drop contact angle. The proposed methodology, which is relatively easy to implement, is systematically applied to three systems: (i) a Lennard-Jones (LJ) drop on a featureless LJ 9-3 surface; (ii) an SPC/E water drop on a featureless LJ 9-3 surface; and (iii) an SPC/E water drop on a graphite surface. The sessile drop contact angles estimated with our methodology for the first two systems are shown to be in good agreement with the angles predicted from Young's equation. The interfacial tensions required for this equation are computed by employing the test-area perturbation method for the corresponding planar interfaces. Our findings suggest that the widely adopted spherical-cap approximation should be used with caution, as it could take a long time for a sessile drop to relax to a spherical shape, of the order of 100 ns, especially for water molecules initiated in a lattice configuration on a solid surface. But even though a water drop can take a long time to reach the spherical shape, we find that the contact angle is well established much faster and the drop evolves toward the spherical shape following a constant-contact-angle relaxation dynamics. Making use of this observation, our methodology allows a good estimation of the sessile drop contact angle values even for moderate system sizes (with, e.g., 4000 molecules), without the need for long simulation times to reach the spherical shape.

On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Ravipati, Srikanth; Aymard, Benjamin; Kalliadasis, Serafim; Galindo, Amparo

2018-04-01

We present a new methodology to estimate the contact angles of sessile drops from molecular simulations by using the Gaussian convolution method of Willard and Chandler [J. Phys. Chem. B 114, 1954-1958 (2010)] to calculate the coarse-grained density from atomic coordinates. The iso-density contour with average coarse-grained density value equal to half of the bulk liquid density is identified as the average liquid-vapor (LV) interface. Angles between the unit normal vectors to the average LV interface and unit normal vector to the solid surface, as a function of the distance normal to the solid surface, are calculated. The cosines of these angles are extrapolated to the three-phase contact line to estimate the sessile drop contact angle. The proposed methodology, which is relatively easy to implement, is systematically applied to three systems: (i) a Lennard-Jones (LJ) drop on a featureless LJ 9-3 surface; (ii) an SPC/E water drop on a featureless LJ 9-3 surface; and (iii) an SPC/E water drop on a graphite surface. The sessile drop contact angles estimated with our methodology for the first two systems are shown to be in good agreement with the angles predicted from Young's equation. The interfacial tensions required for this equation are computed by employing the test-area perturbation method for the corresponding planar interfaces. Our findings suggest that the widely adopted spherical-cap approximation should be used with caution, as it could take a long time for a sessile drop to relax to a spherical shape, of the order of 100 ns, especially for water molecules initiated in a lattice configuration on a solid surface. But even though a water drop can take a long time to reach the spherical shape, we find that the contact angle is well established much faster and the drop evolves toward the spherical shape following a constant-contact-angle relaxation dynamics. Making use of this observation, our methodology allows a good estimation of the sessile drop contact angle values even for moderate system sizes (with, e.g., 4000 molecules), without the need for long simulation times to reach the spherical shape.

Development and characterisation of chitosan or alginate-coated low density polyethylene films containing Satureja hortensis extract.

PubMed

Rahmani, Bahareh; Hosseini, Hedayat; Khani, Mohammadreza; Farhoodi, Mehdi; Honarvar, Zohreh; Feizollahi, Ehsan; Shokri, Babak; Shojaee-Aliabadi, Saeedeh

2017-12-01

This study aimed to develop novel bilayer films based on alginate, chitosan and low-density polyethylene (LDPE) containing different concentrations of summer savory extract (SSE). The cold atmospheric plasma system was used to increase the surface energy of LDPE. Initially, water contact angle, surface roughness and the functional group of LDPE before and after plasma treatment were investigated. Then physical, mechanical, optical, antioxidant and microstructure properties of plasma-treated and untreated bilayer films and antioxidant films incorporated with SSE were characterized. Results showed that plasma treatment increased oxygen-containing the polar group, surface roughness and decreased water contact angle of LDPE surface (from 90.47° to 48.73°) and in result enhanced adhesion between polysaccharide coating and LDPE. Tensile strength of both alginate and chitosan coated-LDPE increased from 10.096 to 14.372 and 11.513 to 13.459MPa, respectively after plasma pretreatment. However chitosan-based films had lower water solubility. Although, incorporation of SSE into chitosan and alginate coated-LDPE despite slight adverse effects on the physical and mechanical properties of films, it provided antioxidant activity. Chitosan coated-LDPE containing SSE had potential to use as antioxidant food packaging. Copyright © 2017 Elsevier B.V. All rights reserved.

Coupled Ablation, Heat Conduction, Pyrolysis, Shape Change and Spallation of the Galileo Probe

NASA Technical Reports Server (NTRS)

Milos, Frank S.; Chen, Y.-K.; Rasky, Daniel J. (Technical Monitor)

1995-01-01

The Galileo probe enters the atmosphere of Jupiter in December 1995. This paper presents numerical methodology and detailed results of our final pre-impact calculations for the heat shield response. The calculations are performed using a highly modified version of a viscous shock layer code with massive radiation coupled with a surface thermochemical ablation and spallation model and with the transient in-depth thermal response of the charring and ablating heat shield. The flowfield is quasi-steady along the trajectory, but the heat shield thermal response is dynamic. Each surface node of the VSL grid is coupled with a one-dimensional thermal response calculation. The thermal solver includes heat conduction, pyrolysis, and grid movement owing to surface recession. Initial conditions for the heat shield temperature and density were obtained from the high altitude rarefied-flow calculations of Haas and Milos. Galileo probe surface temperature, shape, mass flux, and element flux are all determined as functions of time along the trajectory with spallation varied parametrically. The calculations also estimate the in-depth density and temperature profiles for the heat shield. All this information is required to determine the time-dependent vehicle mass and drag coefficient which are necessary inputs for the atmospheric reconstruction experiment on board the probe.

Unliganded fibroblast growth factor receptor 1 forms density-independent dimers.

PubMed

Comps-Agrar, Laëtitia; Dunshee, Diana Ronai; Eaton, Dan L; Sonoda, Junichiro

2015-10-02

Fibroblast growth factors receptors (FGFRs) are thought to initiate intracellular signaling cascades upon ligand-induced dimerization of the extracellular domain. Although the existence of unliganded FGFR1 dimers on the surface of living cells has been proposed, this notion remains rather controversial. Here, we employed time-resolved Förster resonance energy transfer combined with SNAP- and ACP-tag labeling in COS7 cells to monitor dimerization of full-length FGFR1 at the cell-surface with or without the coreceptor βKlotho. Using this approach we observed homodimerization of unliganded FGFR1 that is independent of its surface density. The homo-interaction signal observed for FGFR1 was indeed as robust as that obtained for epidermal growth factor receptor (EGFR) and was further increased by the addition of activating ligands or pathogenic mutations. Mutational analysis indicated that the kinase and the transmembrane domains, rather than the extracellular domain, mediate the ligand-independent FGFR1 dimerization. In addition, we observed a formation of a higher order ligand-independent complex by the c-spliced isoform of FGFR1 and βKlotho. Collectively, our approach provides novel insights into the assembly and dynamics of the full-length FGFRs on the cell surface. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Optimizing the physical-chemical properties of carbon nanotubes (CNT) and graphene nanoplatelets (GNP) on Cu(II) adsorption.

PubMed

Rosenzweig, Shirley; Sorial, George A; Sahle-Demessie, Endalkachew; McAvoy, Drew C

2014-08-30

Systematic experiments of copper adsorption on 10 different commercially available nanomaterials were studied for the influence of physical-chemical properties and their interactions. Design of experiment and response surface methodology was used to develop a polynomial model to predict maximum copper adsorption (initial concentration, Co=10mg/L) per mass of nanomaterial, qe, using multivariable regression and maximum R-square criterion. The best subsets of properties to predict qe in order of significant contribution to the model were: bulk density, ID, mesopore volume, tube length, pore size, zeta-charge, specific surface area and OD. The highest experimental qe observed was for an alcohol-functionalized MWCNT (16.7mg/g) with relative high bulk density (0.48g/cm(3)), ID (2-5nm), 10-30μm long and OD<8nm. Graphene nanoplatelets (GNP) showed poor adsorptive capacity associated to stacked-nanoplatelets, but good colloidal stability due to high functionalized surface. Good adsorption results for pristine SWCNT indicated that tubes with small diameter were more associated with good adsorption than functionalized surface. XPS and ICP analysis explored surface chemistry and purity, but pHpzc and zeta-charge were ultimately applied to indicate the degree of functionalization. Optimum CNT were identified in the scatter plot, but actual manufacturing processes introduced size and shape variations which interfered with final property results. Copyright © 2014 Elsevier B.V. All rights reserved.

Wear behavior of Cu-Zn alloy by ultrasonic nanocrystalline surface modification.

PubMed

Cho, In Shik; Amanov, Auezhan; Ahn, Deok Gi; Shin, Keesam; Lee, Chang Soon; Pyoun, Young-Shik; Park, In-Gyu

2011-07-01

The ultrasonic nanocrystalline surface modification (UNSM) was applied to disk specimens made of Cu-Zn alloy in order to investigate the UNSM effects under five various conditions on wear of deformation twinning. In this paper, ball-on-disk test was conducted, and the results of UNSM-treated specimens showed that surface layer dislocation density and multi-directional twins were abruptly increased, and the grain size was altered into nano scale. UNSM delivers force onto the workpiece surface 20,000 times per second with 1,000 to 4,000 contact counts per square millimeter. The UNSM technology creates nanocrystalline and deformation twinning on the workpiece surface. One of the main concepts of this study is that defined phenomena of the UNSM technology, and the results revealed that nanocrystalline and deformation twinning depth might be controlled by means of impact energy of UNSM technology. EBSD and TEM analyses showed that deformation layer was increased up to 268 microm, and initial twin density was 0.001 x 10(6) cm(-2) and increased up to 0.343 x 10(6) cm(-2). Wear volume loss was also decreased from 703 x 10(3) mm3 to 387 x 10(3) mm3. Wear behavior according to deformation depth was observed under three different combinations. This is related to deformation depth which was created by UNSM technology.

AIBA as Free Radical Initiator for Abrasive-Free Polishing of Hard Disk Substrate

NASA Astrophysics Data System (ADS)

Lei, Hong; Ren, Xiaoyan

2015-04-01

In order to optimize the existing slurry for abrasive-free polishing (AFP) of a hard disk substrate, a water-soluble free radical initiator, 2,2'-azobis (2-methylpropionamidine) dihydrochloride (AIBA) was introduced into H2O2-based slurry in the present work. Polishing experiment results with AIBA in the H2O2 slurry indicate that the material removal rate (MRR) increases and the polished surface has a lower surface roughness. The mechanism of AIBA in AFP was investigated using electron spin-resonance spectroscopy and UV-Visible analysis, which showed that the concentration of hydroxyl radical (a stronger oxidizer than H2O2) in the slurry was enhanced in the present of AIBA. The structure of the film formed on the substrate surface was investigated by scanning electron microscopy, auger electron spectroscopy and electrochemical impedance spectroscopy technology, showing that a looser and porous oxide film was found on the hard disk substrate surface when treated with the H2O2-AIBA slurry. Furthermore, potentiodynamic polarization tests show that the H2O2-AIBA slurry has a higher corrosion current density, implying that a fast dissolution reaction can occur on the substrate surface. Therefore, we can conclude that the stronger oxidation ability, loose oxide film on the substrate surface, and the higher corrosion-wear rate of the H2O2-AIBA slurry lead to the higher MRR.

Surface composition XPS analysis of a plasma treated polystyrene: Evolution over long storage periods.

PubMed

Ba, Ousmane M; Marmey, Pascal; Anselme, Karine; Duncan, Anthony C; Ponche, Arnaud

2016-09-01

A polystyrene surface (PS) was initially treated by cold nitrogen and oxygen plasma in order to incorporate in particular amine and hydroxyl functions, respectively. The evolution of the chemical nature of the surface was further monitored over a long time period (580 days) by chemical assay, XPS and contact angle measurements. Surface density quantification of primary amine groups was performed using three chemical amine assays: 4-nitrobenzaldehyde (4-NBZ), Sulfo succinimidyl 6-[3'(2 pyridyldithio)-pionamido] hexanoate (Sulfo-LC-SPDP) and iminothiolane (ITL). The results showed amine densities were in the range of 2 per square nanometer (comparable to the results described in the literature) after 5min of nitrogen plasma treatment. Over the time period investigated, chemical assays, XPS and contact angles suggest a drastic significant evolution of the chemical nature of the surface within the first two weeks. Beyond that time period and up to almost two years, nitrogen plasma modified substrates exhibits a slow and continuous oxidation whereas oxygen plasma modifed polystyrene surface is chemically stable after two weeks of storage. The latter appeared to "ease of" showing relatively mild changes within the one year period. Our results suggest that it may be preferable to wait for a chemical "stabilization" period of two weeks before subsequent covalent immobilization of proteins onto the surface. The originality of this work resides in the study of the plasma treated surface chemistry evolution over long periods of storage time (580 days) considerably exceeding those described in the literature. Copyright © 2016 Elsevier B.V. All rights reserved.

Influence of lead ions on the macromorphology of electrodeposited zinc

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsuda, Tetsuaki; Tobias, Charles W.

1981-09-01

The morphology of zinc as it is electrodeposited from acid solutions demonstrates a remarkable imprint of electrolyte flow conditions. The development of macromorphology of zinc deposits has been investigated under galvanostatic conditions on a rotating plantinum disk electrode by use of photomacrography, scanning electron microscopy, electron probe microanalysis and Auger microprobe analysis. Logarithmic spiral markings, which reflect the hydrodynamic flow on a rotating disk, appear in a certain region of current density well below the limiting current density. Morphological observations revealed the major influence of trace lead ions on the amplifications of surface roughness through coalescence and preferred growth ofmore » initial protrusions. Results obtained from ultra-pure electrolyte suggest preferred crystal growth towards well-mixed orientation in the concentration field caused by slight differences in crystallization overpotential. A qualitative model involving a coupling mechanism between the evolving surface roughness and instability phenomena in the boundary layer is advanced to explain the formation of spiral patterns.« less

Systematic screening of carbon-based anode materials for microbial fuel cells with Shewanella oneidensis MR-1.

PubMed

Kipf, Elena; Koch, Julia; Geiger, Bettina; Erben, Johannes; Richter, Katrin; Gescher, Johannes; Zengerle, Roland; Kerzenmacher, Sven

2013-10-01

We present a systematic screening of carbon-based anode materials for microbial fuel cells with Shewanella oneidensis MR-1. Under anoxic conditions nanoporous activated carbon cloth is a superior anode material in terms of current density normalized to the projected anode area and anode volume (24.0±0.3 μA cm(-2) and 482±7 μA cm(-3) at -0.2 vs. SCE, respectively). The good performance can be attributed to the high specific surface area of the material, which is available for mediated electron transfer through self-secreted flavins. Under aerated conditions no influence of the specific surface area is observed, which we attribute to a shift from primary indirect electron transfer by mediators to direct electron transfer via adherent cells. Furthermore, we show that an aerated initial growth phase enhances the current density under subsequent anoxic conditions fivefold when compared to a similar experiment that was conducted under permanently anoxic conditions. Copyright © 2013 Elsevier Ltd. All rights reserved.

Topology of Large-Scale Structure by Galaxy Type: Hydrodynamic Simulations

NASA Astrophysics Data System (ADS)

Gott, J. Richard, III; Cen, Renyue; Ostriker, Jeremiah P.

1996-07-01

The topology of large-scale structure is studied as a function of galaxy type using the genus statistic. In hydrodynamical cosmological cold dark matter simulations, galaxies form on caustic surfaces (Zeldovich pancakes) and then slowly drain onto filaments and clusters. The earliest forming galaxies in the simulations (defined as "ellipticals") are thus seen at the present epoch preferentially in clusters (tending toward a meatball topology), while the latest forming galaxies (defined as "spirals") are seen currently in a spongelike topology. The topology is measured by the genus (number of "doughnut" holes minus number of isolated regions) of the smoothed density-contour surfaces. The measured genus curve for all galaxies as a function of density obeys approximately the theoretical curve expected for random- phase initial conditions, but the early-forming elliptical galaxies show a shift toward a meatball topology relative to the late-forming spirals. Simulations using standard biasing schemes fail to show such an effect. Large observational samples separated by galaxy type could be used to test for this effect.

Textured-surface quartz resonator fluid density and viscosity monitor

DOEpatents

Martin, Stephen J.; Wiczer, James J.; Cernosek, Richard W.; Frye, Gregory C.; Gebert, Charles T.; Casaus, Leonard; Mitchell, Mary A.

1998-08-25

A pair of thickness-shear mode resonators, one smooth and one with a textured surface, allows fluid density and viscosity to be independently resolved. A textured surface, either randomly rough or regularly patterned, leads to trapping of liquid at the device surface. The synchronous motion of this trapped liquid with the oscillating device surface allows the device to weigh the liquid; this leads to an additional response that depends on liquid density. This additional response enables a pair of devices, one smooth and one textured, to independently resolve liquid density and viscosity; the difference in responses determines the density while the smooth device determines the density-viscosity product, and thus, the pair determines both density and viscosity.

Experimental determination of drag coefficients in low-density polyurethane foam

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adams, M L

2006-04-18

We describe several experiments performed at the LLNL Site 300 firing range and on the LLNL 1/3 scale gun to investigate the deceleration of small projectiles (l {approx} 3-5 [mm]) in low-density foam ({rho} {approx} 0.08-0.32 [g/cm{sup 3}]). The experiments at the firing range researched a passive velocity diagnostic based on Faraday's law of induction, while experiments on the 1/3 scale gun investigated the effects of varying projectile surface area, projectile shape, and foam density on the drag coefficient c{sub d}. Analysis shows that the velocity diagnostic has an uncertainty on the order of 1 percent for projectiles with velocitymore » v {approx} 0.8-1.2 [km/s]. The 1/3 scale gun experiments, dubbed the Krispy Kreme series, included nine shots considering the combinations of 3 projectile surface areas with 3 target densities. The experiments used Tantalum square surface area block projectiles (with an initial velocity v{sub 0} {approx} 1.2 [km/s], a common thickness T = 2.67 [mm], and square side lengths of 3, 4, and 5 [mm]) decelerating in polyurethane foams (with densities {rho}{sub f} of 0.08, 0.16 and 0.32 [g/cm{sup 3}]). Standard fluid models of the Krispy Kreme experiments predict Reynolds numbers Re {approx} 10{sup 5} - 10{sup 6}, Mach numbers Ma {approx} 0.5-2.0, and drag coefficients c{sub d} {approx} 2-3. However, the data indicate that c{sub d} = 1.1-1.2 (c{sub d} = 1.7) for all three block projectiles in the 0.08 and 0.16 [g/cm{sup 3}] targets (0.32 [g/cm{sup 3}] target). First, we conclude that the drag force on projectiles in solid polyurethane foam is less than in fluids with equivalent dimensionless parameters. This result is also supported by an additional Krispy Kreme experiment that used a disk projectile (with diameter d = 4.51 [mm] and thickness T = 2.67 [mm]) penetrating a target with density {rho} = 0.16 [g/cm{sup 3}], i.e., the fluid-like c{sub d} = 1.15 while the measured c{sub d} = 0.63. Second, we conclude that the measured drag coefficient in the lower density foam targets is less than in the larger density foam target. This result is corroborated by firing range experiments with M855 NATO bullets (with diameter 5.56 [mm], mass 4.1 [g], and initial velocity {nu}{sub 0} {approx} 800 [m/s]) fired from an M16 rifle, i.e., c{sub d} = 0.3 (c{sub d} = 0.6) in the 0.16 [g/cm{sup 3}] (0.32 [g/cm{sup 3}]) target. We propose future 1/3 scale gun experiments using a passive velocity diagnostic with increased spatial resolution as well as simple spherical projectiles with 0.5 and 1.0 [cm] diameters.« less

Biochip-based instruments development for space exploration: influence of the antibody immobilization process on the biochip resistance to freeze-drying, temperature shifts and cosmic radiations

NASA Astrophysics Data System (ADS)

Coussot, G.; Moreau, T.; Faye, C.; Vigier, F.; Baqué, M.; Le Postollec, A.; Incerti, S.; Dobrijevic, M.; Vandenabeele-Trambouze, O.

2017-04-01

Due to the diversity of antibody (Ab)-based biochips chemistries available and the little knowledge about biochips resistance to space constraints, immobilization of Abs on the surface of the biochips dedicated to Solar System exploration is challenging. In the present paper, we have developed ten different biochip models including covalent or affinity immobilization with full-length Abs or Ab fragments. Ab immobilizations were carried out in oriented/non-oriented manner using commercial activated surfaces with N-hydroxysuccinic ester (NHS-surfaces) or homemade surfaces using three generations of dendrimers (dendrigraft of poly L-lysine (DGL) surfaces). The performances of the Ab -based surfaces were cross-compared on the following criteria: (i) analytical performances (expressed by both the surface density of immobilized Abs and the amount of antigens initially captured by the surface) and (ii) resistance of surfaces to preparation procedure (freeze-drying, storage) or spatial constraints (irradiation and temperature shifts) encountered during a space mission. The latter results have been expressed as percentage of surface binding capacity losses (or percentage of remaining active Abs). The highest amount of captured antigen was achieved with Ab surfaces having full-length Abs and DGL-surfaces that have much higher surface densities than commercial NHS-surface. After freeze-drying process, thermal shift and storage sample exposition, we found that more than 80% of surface binding sites remained active in this case. In addition, the resistance of Ab surfaces to irradiation with particles such as electron, carbon ions or protons depends not only on the chemistries (covalent/affinity linkages) and strategies (oriented/non-oriented) used to construct the biochip, but also on the type, energy and fluence of incident particles. Our results clearly indicate that full-length Ab immobilization on NHS-surfaces and DGL-surfaces should be preferred for potential use in instruments for planetary exploration.

Dissociation mechanisms of HFO-1336mzz(Z) on Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces: A density functional theory study

NASA Astrophysics Data System (ADS)

Huo, Erguang; Liu, Chao; Xu, Xiaoxiao; Li, Qibin; Dang, Chaobin

2018-06-01

The catalytic effect of Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces on the decomposition of HFO-1336mzz(Z) have been investigated by using Density Functional Theory (DFT) calculations. On the basis of adsorption energy analysis, the most stable adsorption energies of HFO-1336mzz(Z) and relevant products on Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces were studied, respectively, and the co-adsorption structures of relevant species were obtained. Finally, four initiation decomposition reactions of HFO-1336mzz(Z) on Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces were proposed and investigated, respectively. At the same time, the four similar homolytic reactions of free HFO-1336mzz(Z) molecular were calculated to compare with the dissociation reactions occurred on Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces and illuminate the catalytic effect of Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces on the HFO-1336mzz(Z) decomposition. The results indicated that Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces had a good catalytic effect on the decomposition of HFO-1336mzz(Z). The fracture reactions of Cdbnd C bonds on Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces were easier to occur than that of other reactions. Cu(1 0 0) surface had the highest catalytic activity and the lowest for Cu(1 1 1) surface.

On the generation of internal wave modes by surface waves

NASA Astrophysics Data System (ADS)

Harlander, Uwe; Kirschner, Ian; Maas, Christian; Zaussinger, Florian

2016-04-01

Internal gravity waves play an important role in the ocean since they transport energy and momentum and the can lead to mixing when they break. Surface waves and internal gravity waves can interact. On the one hand, long internal waves imply a slow varying shear current that modifies the propagation of surface waves. Surface waves generated by the atmosphere can, on the other hand, excite internal waves by nonlinear interaction. Thereby a surface wave packet consisting of two close frequencies can resonate with a low frequency internal wave (Phillips, 1966). From a theoretical point of view, the latter has been studied intensively by using a 2-layer model, i.e. a surface layer with a strong density contrast and an internal layer with a comparable weak density contrast (Ball, 1964; Craig et al., 2010). In the present work we analyse the wave coupling for a continuously stratified fluid using a fully non-linear 2D numerical model (OpenFoam) and compare this with laboratory experiments (see Lewis et al. 1974). Surface wave modes are used as initial condition and the time development of the dominant surface and internal waves are studied by spectral and harmonic analysis. For the simple geometry of a box, the results are compared with analytical spectra of surface and gravity waves. Ball, F.K. 1964: Energy transfer between external and internal gravity waves. J. Fluid Mech. 19, 465. Craig, W., Guyenne, P., Sulem, C. 2010: Coupling between internal and surface waves. Natural Hazards 57, 617-642. Lewis, J.E., Lake, B.M., Ko, D.R.S 1974: On the interaction of internal waves and surfacr gravity waves, J. Fluid Mech. 63, 773-800. Phillips, O.M. 1966: The dynamics of the upper ocean, Cambridge University Press, 336pp.

Numerical Study of Interaction of a Vortical Density Inhomogeneity with Shock and Expansion Waves

NASA Technical Reports Server (NTRS)

Povitsky, A.; Ofengeim, D.

1998-01-01

We studied the interaction of a vortical density inhomogeneity (VDI) with shock and expansion waves. We call the VDI the region of concentrated vorticity (vortex) with a density different from that of ambiance. Non-parallel directions of the density gradient normal to the VDI surface and the pressure gradient across a shock wave results in an additional vorticity. The roll-up of the initial round VDI towards a non-symmetrical shape is studied numerically. Numerical modeling of this interaction is performed by a 2-D Euler code. The use of an adaptive unstructured numerical grid makes it possible to obtain high accuracy and capture regions of induced vorticity with a moderate overall number of mesh points. For the validation of the code, the computational results are compared with available experimental results and good agreement is obtained. The interaction of the VDI with a propagating shock wave is studied for a range of initial and induced circulations and obtained flow patterns are presented. The splitting of the VDI develops into the formation of a non-symmetrical vortex pair and not in a set of vortices. A method for the analytical computation of an overall induced circulation Gamma(sub 1) as a result of the interaction of a moving VDI with a number of waves is proposed. Simplified, approximated, expressions for Gamma(sub 1) are derived and their accuracy is discussed. The splitting of the VDI passing through the Prandtl-Meyer expansion wave is studied numerically. The obtained VDI patterns are compared to those for the interaction of the VDI with a propagating shock wave for the same values of initial and induced circulations. These patterns have similar shapes for corresponding time moments.

Anomalous Lower Crustal and Surface Features as a Result of Plume-induced Continental Break-up: Inferences from Numerical Models

NASA Astrophysics Data System (ADS)

Beniest, A.; Koptev, A.; Leroy, S. D.

2016-12-01

Anomalous features along the South American and African rifted margins at depth and at the surface have been recognised with gravity and magnetic modelling. They include high velocity/high density bodies at lower crustal level and topography variations that are usually interpreted as aborted rifts. We present fully-coupled lithosphere-scale numerical models that permit us to explain both features in a relatively simple framework of an interaction between rheologically stratified continental lithosphere and an active mantle plume. We used 2D and 3D numerical models to investigate the impact of thermo-rheological structure of the continental lithosphere and initial plume position on continental rifting and breakup processes. Based on the results of our 2D experiments, three main types of continental break-up are revealed: A) mantle plume-induced break-up, directly located above the centre of the mantle anomaly, B) mantle plume-induced break-up, 50 to 250 km displaced from the initial plume location and C) self-induced break-up due to convection and/or slab-subduction/delamination, considerably shifted (300 to 800 km) from the initial plume position. With our 3D, laterally homogenous initial setup, we show that a complex system, with the axis of continental break-up 100's of km's shifted from the original plume location, can arise spontaneously from simple and perfectly symmetric preliminary settings. Our modelling demonstrates that fragments of a laterally migrating plume head become glued to the base of the lithosphere and remain at both sides of the newly-formed oceanic basin after continental break-up. Underplated plume material soldered into lower parts of lithosphere can be interpreted as the high-velocity/high density magmatic bodies at lower crustal levels. In the very early stages of rifting, first impingement of the vertically upwelled mantle plume to the lithospheric base leads to surface topographic variations. Given the shifted position of the final spreading centre with respect to initial plume position, these topographic variations resemble aborted rifts that are observed on passive margins. Lastly, after continuous extension and transition to the spreading state, strain rate relocalizations develop that can be interpreted as ridge jumps that are commonly observed in nature.

Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study

PubMed Central

2017-01-01

Layered transition-metal chalcogenides have emerged as a fascinating new class of materials for catalysis. Here, we present periodic density functional theory (DFT) calculations of the adsorption of thiophene and the direct desulfurization reaction pathways on the (001), (011), and (111) surfaces of layered FeS. The fundamental aspects of the thiophene adsorption, including the initial adsorption geometries, adsorption energies, structural parameters, and electronic properties, are presented. From the calculated adsorption energies, we show that the flat adsorption geometries, wherein the thiophene molecule forms multiple π-bonds with the FeS surfaces, are energetically more favorable than the upright adsorption geometries, with the strength of adsorption decreasing in the order FeS(111) > FeS(011) > FeS(001). The adsorption of the thiophene onto the reactive (011) and (111) surfaces is shown to be characterized by charge transfer from the interacting Fe d-band to the π-system of the thiophene molecule, which causes changes of the intramolecular structure including loss of aromaticity and elongation of the C–S bonds. The thermodynamic and kinetic analysis of the elementary steps involved in the direct desulfurization of thiophene on the reactive FeS surfaces is also presented. Direct desulfurization of thiophene occurs preferentially on the (111) surface, as reflected by the overall exothermic reaction energy calculated for the process (ER = −0.15 eV), with an activation energy of 1.58 eV. PMID:29348782

Shock Initiation and Equation of State of Ammonium Nitrate

NASA Astrophysics Data System (ADS)

Robbins, David; Sheffield, Steve; Dattelbaum, Dana; Chellappa, Raja; Velisavljevic, Nenad

2013-06-01

Ammonium nitrate (AN) is a widely used fertilizer and mining explosive commonly found in ammonium nitrate-fuel oil. Neat AN is a non-ideal explosive with measured detonation velocities approaching 4 km/s. Previously, we reported a thermodynamically-complete equation of state for AN based on its maximum density, and showed that near-full density AN did not initiate when subjected to shock input conditions up to 22 GPa. In this work, we extend these initial results, by presenting new Hugoniot data for intermediate density neat AN obtained from gas gun-driven plate impact experiments. AN at densities from 1.8 to 1.5 g/cm3 were impacted into LiF windows using a two-stage light gas gun. Dual VISARs were used to measure the interfacial particle velocity wave profile as a function of time following impact. The new Hugoniot data, in addition to updates to thermodynamic parameters derived from structural analysis and vibrational spectroscopy measurements in high pressure diamond anvil cell experiments, are used to refine the unreacted EOS for AN. Furthermore, shock initiation of neat AN was observed as the initial porosity increased (density decreased). Insights into the relationship(s) between initial density and shock initiation sensitivity are also presented, from evidence of shock initiation in the particle velocity profiles obtained for the lower density AN samples.

A Two-Dimensional Manganese Gallium Nitride Surface Structure Showing Ferromagnetism at Room Temperature.

PubMed

Ma, Yingqiao; Chinchore, Abhijit V; Smith, Arthur R; Barral, María Andrea; Ferrari, Valeria

2018-01-10

Practical applications of semiconductor spintronic devices necessitate ferromagnetic behavior at or above room temperature. In this paper, we demonstrate a two-dimensional manganese gallium nitride surface structure (MnGaN-2D) which is atomically thin and shows ferromagnetic domain structure at room temperature as measured by spin-resolved scanning tunneling microscopy and spectroscopy. Application of small magnetic fields proves that the observed magnetic domains follow a hysteretic behavior. Two initially oppositely oriented MnGaN-2D domains are rotated into alignment with only 120 mT and remain mostly in alignment at remanence. The measurements are further supported by first-principles theoretical calculations which reveal highly spin-polarized and spin-split surface states with spin polarization of up to 95% for manganese local density of states.

High-Performance Simulations of the Diffusion Characteristics of a Pentacene Derivative on Gold Surfaces

NASA Astrophysics Data System (ADS)

Miller, Ryan; Larson, Amanda; Pohl, Karsten

Pentacene serves as a backbone for several molecules that provide attractive qualities for organic photovoltaic devices. One of these pentacene derivatives is 5 6,7-trithiapentacene-13-one (TTPO), which is unique in that it achieves its lowest energy configuration on Au(1 1 1) surfaces with the thiol group angled down towards the surface, allowing many molecules to pack closely together and form molecular nanowires. However, TTPO diffuses on flat surfaces, making it difficult for the self-assembly process to be initiated. With the help of the low-energy sites in surface defects and Au(7 8 8) step edges, TTPO molecules can be anchored in place on surfaces, allowing for chain formation to begin. By using high-performance Density Functional Theory based molecular dynamics calculations, the molecules can be shown to stay localized to these bonding sites and serve as a basis for chain formation. In addition, by simulating various temperatures with a Nose-Hoover thermostat, we can analyze how temperature affects anchoring ability and diffusion properties.

The sponge-like topology of large-scale structure in the universe

NASA Technical Reports Server (NTRS)

Gott, J. R., III; Dickinson, M.; Melott, A. L.

1986-01-01

The relative connectedness of the high- and low-density regions in the universe is studied using a median density contour which divides space into two equal volumes. The CfA data are found to show a sponge-like topology where the highand low-density regions are both interlocking and equivalent. The boundary surface between the two regions has a general negative curvature, and is characterized by a large number of holes. In the initial conditions the connectedness of the two regions must be identical because a change of sign in the random quantum fluctuations would reverse their roles. It is noted that in the cold dark matter and neutrino scenarios the hole sizes are typically of the order of the smoothing diameter or the damping length, whichever is larger. The sponge-like topology is consistent with the universe having a frothy appearance without being divided neatly into cells. A computer algorithm for measuring topology is discussed.

Optimization of electrocoagulation process to treat grey wastewater in batch mode using response surface methodology

PubMed Central

2014-01-01

Background Discharge of grey wastewater into the ecological system causes the negative impact effect on receiving water bodies. Methods In this present study, electrocoagulation process (EC) was investigated to treat grey wastewater under different operating conditions such as initial pH (4–8), current density (10–30 mA/cm2), electrode distance (4–6 cm) and electrolysis time (5–25 min) by using stainless steel (SS) anode in batch mode. Four factors with five levels Box-Behnken response surface design (BBD) was employed to optimize and investigate the effect of process variables on the responses such as total solids (TS), chemical oxygen demand (COD) and fecal coliform (FC) removal. Results The process variables showed significant effect on the electrocoagulation treatment process. The results were analyzed by Pareto analysis of variance (ANOVA) and second order polynomial models were developed in order to study the electrocoagulation process statistically. The optimal operating conditions were found to be: initial pH of 7, current density of 20 mA/cm2, electrode distance of 5 cm and electrolysis time of 20 min. Conclusion These results indicated that EC process can be scale up in large scale level to treat grey wastewater with high removal efficiency of TS, COD and FC. PMID:24410752

Structural characteristics of mixed oxides MOx/SiO2 affecting photocatalytic decomposition of methylene blue

NASA Astrophysics Data System (ADS)

Gun'ko, V. M.; Blitz, J. P.; Bandaranayake, B.; Pakhlov, E. M.; Zarko, V. I.; Sulym, I. Ya.; Kulyk, K. S.; Galaburda, M. V.; Bogatyrev, V. M.; Oranska, O. I.; Borysenko, M. V.; Leboda, R.; Skubiszewska-Zięba, J.; Janush, W.

2012-06-01

A series of photocatalysts based on silica (nanoparticulate) supported titania, ceria, and ceria/zirconia were synthesized and characterized by a variety of techniques including surface area measurements, X-ray diffraction, Fourier transform infrared spectroscopy, zeta potential, surface charge density, and photocatalytic behavior toward methylene blue decomposition. Thermal treatment at 600 °C increases the anatase content of the titania based catalysts detected by XRD. Changes in the infrared spectra before and after thermal treatment indicate that at low temperature there are more tbnd Sisbnd Osbnd Titbnd bonds than at high temperature. As these bonds break upon heating the SiO2 and TiO2 separate, allowing the TiO2 anatase phase to form. This results in an increased catalytic activity for the thermally treated samples. Nearly all titania based samples exhibit a negative surface charge density at pH 7 (initial pH of photocatalytic studies) which aids adsorption of methylene blue. The crystallinity of ceria and ceria/zirconia based catalysts are in some cases limited, and in others non-existent. Even though the energy band gap (Eg) can be lower for these catalysts than for the titania based catalysts, their photocatalytic properties are inferior.

Surfactant properties of oxygen in the homoepitaxial growth of Fe: a MDS study

NASA Astrophysics Data System (ADS)

Moroni, R.; Bisio, F.; Gussoni, A.; Canepa, M.; Mattera, L.

2001-06-01

The growth of ultra thin iron films (up to a thickness of 5-6 ML) on O(1×1)-Fe/Ag(0 0 1) has been investigated by means of He reflectivity ( RHe) and metastable de-excitation spectroscopy. The presence of oxygen induces a quasi-ideal layer-by-layer growth at variance with the case of the homoepitaxial growth of iron on Fe(0 0 1). The surface electronic density of states suddenly changes upon the deposition of the first half of a monolayer. After the sudden change in the first stages of the growth, the surface density of states of both O 2p and Fe 3d states remains essentially unchanged, irrespectively of the thickness of the deposited film. This provides a clear indication that oxygen floats at the surface acting as a surfactant for the growth of iron on O(1×1)-Fe/Ag(0 0 1). The stationary fraction of oxygen that remains on the topmost layer as growth proceeds depends on the substrate temperature. Post-growth annealing up to 650 K restores the initial coverage of oxygen and the ordered O(1×1) phase.

Tobacco Retail Outlet Density and Young Adult Tobacco Initiation

PubMed Central

Pearson, Jennifer L.; Anesetti-Rothermel, Andrew; Xiao, Haijun; Kirchner, Thomas R.; Vallone, Donna

2016-01-01

Background: A growing body of evidence indicates that the density of tobacco retail outlets around the home residence may influence tobacco use among youth and adults. The purpose of this study was to examine the impact of neighborhood tobacco retail outlet density on young adult initiation of different tobacco product types. Methods: Cross-sectional data from a 2013 nationally representative sample of young adults aged 18–34 was examined in relation to a 2012 geocoded listing of all outlets likely to sell tobacco in the United States. Separate multivariable logistic regression analyses examined associations between neighborhood outlet density and past 6 months first use of cigarettes, non-cigarette combustible products, and noncombustible products among adults aged 18–24 and 25–34. Results: Outlet density was significantly associated with recent initiation of cigarettes and other combustibles, but this impact varied for younger and older groups. Increased density was significantly associated with a higher likelihood of initiating cigarette use among adults aged 25–34 (OR = 3.75, 95% CI = 1.18, 11.90), and of initiating non-cigarette combustible use among 18–24 year olds (OR = 3.16, 95% CI = 1.03, 9.74). There was no impact of outlet density on recent noncombustible product initiation among either group. Conclusion: This study is the first to examine the impact of tobacco outlet density on young adult initiation of cigarettes and other tobacco products. Findings demonstrate that residential neighborhood outlet density is associated with recent initiation of combustible products and this effect varies by product type and age. The tobacco outlet environment may be a critical factor in promoting young adult tobacco use initiation. PMID:25666816

Crustal Density Variation Along the San Andreas Fault Controls Its Secondary Faults Distribution and Dip Direction

NASA Astrophysics Data System (ADS)

Yang, H.; Moresi, L. N.

2017-12-01

The San Andreas fault forms a dominant component of the transform boundary between the Pacific and the North American plate. The density and strength of the complex accretionary margin is very heterogeneous. Based on the density structure of the lithosphere in the SW United States, we utilize the 3D finite element thermomechanical, viscoplastic model (Underworld2) to simulate deformation in the San Andreas Fault system. The purpose of the model is to examine the role of a big bend in the existing geometry. In particular, the big bend of the fault is an initial condition of in our model. We first test the strength of the fault by comparing the surface principle stresses from our numerical model with the in situ tectonic stress. The best fit model indicates the model with extremely weak fault (friction coefficient < 0.1) is requisite. To the first order, there is significant density difference between the Great Valley and the adjacent Mojave block. The Great Valley block is much colder and of larger density (>200 kg/m3) than surrounding blocks. In contrast, the Mojave block is detected to find that it has lost its mafic lower crust by other geophysical surveys. Our model indicates strong strain localization at the jointer boundary between two blocks, which is an analogue for the Garlock fault. High density lower crust material of the Great Valley tends to under-thrust beneath the Transverse Range near the big bend. This motion is likely to rotate the fault plane from the initial vertical direction to dip to the southwest. For the straight section, north to the big bend, the fault is nearly vertical. The geometry of the fault plane is consistent with field observations.

First-principles study of Cs/Rb co-doped FAPbI3 stability and degradation in the presence of water and oxygen

NASA Astrophysics Data System (ADS)

Guo, Yao; Li, Chengbo; Xue, Yuanbin; Geng, Cuihuan; Tian, Dayong

2018-02-01

The poor stability of organometallic halide perovskite in humid environments is one of the biggest challenges for its commercialization in light harvesting and electroluminescent displays. Understanding the atomic detail of the perovskite/water (oxygen) interface is a critical way to explore the practicability of perovskite. In this work, we report a density functional study of water and oxygen adsorption on the Cs/Rb incorporated FAPbI3 (001) surface. The role played by water and oxygen molecules has been extensively studied in the initial degradation processes, where the strong interactions between adsorbates and perovskite surfaces are confirmed. Our results show that the dopant-terminated surface was relatively more stable than PbI2-termination one. The effects of doping on the optoelectronic properties were slight at low concentrations. The calculations showed that the molecule tend to adsorb on the I-top site of the Cs-terminated surface and the Pb-top site of the PbI2 (Cs)-terminated surface. The vdW contribution on the bonding between bare surface and molecule can be observed. The degradation-induced optical absorption decrease in the visible region could be found. Water and oxygen molecule destroy the perovskite surface structures and subsequently reduce its conversion efficiency. These findings contribute molecular-level insight into the initial stage of perovskite degradation, which should be helpful to inspire new interfacial modifications to improve the stability of corresponding perovskite materials under wet conditions.

Rapid Optimal SPH Particle Distributions in Spherical Geometries For Creating Astrophysical Initial Conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raskin, Cody; Owen, J. Michael

Creating spherical initial conditions in smoothed particle hydrodynamics simulations that are spherically conformal is a difficult task. Here in this paper, we describe two algorithmic methods for evenly distributing points on surfaces that when paired can be used to build three-dimensional spherical objects with optimal equipartition of volume between particles, commensurate with an arbitrary radial density function. We demonstrate the efficacy of our method against stretched lattice arrangements on the metrics of hydrodynamic stability, spherical conformity, and the harmonic power distribution of gravitational settling oscillations. We further demonstrate how our method is highly optimized for simulating multi-material spheres, such asmore » planets with core–mantle boundaries.« less

Rapid Optimal SPH Particle Distributions in Spherical Geometries For Creating Astrophysical Initial Conditions

DOE PAGES

Raskin, Cody; Owen, J. Michael

2016-03-24

Creating spherical initial conditions in smoothed particle hydrodynamics simulations that are spherically conformal is a difficult task. Here in this paper, we describe two algorithmic methods for evenly distributing points on surfaces that when paired can be used to build three-dimensional spherical objects with optimal equipartition of volume between particles, commensurate with an arbitrary radial density function. We demonstrate the efficacy of our method against stretched lattice arrangements on the metrics of hydrodynamic stability, spherical conformity, and the harmonic power distribution of gravitational settling oscillations. We further demonstrate how our method is highly optimized for simulating multi-material spheres, such asmore » planets with core–mantle boundaries.« less

RAPID OPTIMAL SPH PARTICLE DISTRIBUTIONS IN SPHERICAL GEOMETRIES FOR CREATING ASTROPHYSICAL INITIAL CONDITIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raskin, Cody; Owen, J. Michael

2016-04-01

Creating spherical initial conditions in smoothed particle hydrodynamics simulations that are spherically conformal is a difficult task. Here, we describe two algorithmic methods for evenly distributing points on surfaces that when paired can be used to build three-dimensional spherical objects with optimal equipartition of volume between particles, commensurate with an arbitrary radial density function. We demonstrate the efficacy of our method against stretched lattice arrangements on the metrics of hydrodynamic stability, spherical conformity, and the harmonic power distribution of gravitational settling oscillations. We further demonstrate how our method is highly optimized for simulating multi-material spheres, such as planets with core–mantlemore » boundaries.« less

Recoverable stress induced two-way shape memory effect on NiTi surface using laser-produced shock wave

NASA Astrophysics Data System (ADS)

Seyitliyev, Dovletgeldi; Li, Peizhen; Kholikov, Khomidkhodza; Grant, Byron; Thomas, Zachary; Alal, Orhan; Karaca, Haluk E.; Er, Ali O.

2017-02-01

The surfaces of Ni50Ti50 shape memory alloys (SMAs) were patterned by laser scribing. This method is more simplistic and efficient than traditional indentation techniques, and has also shown to be an effective method in patterning these materials. Different laser energy densities ranging from 5 mJ/pulse to 56 mJ/pulse were used to observe recovery on SMA surface. The temperature dependent heat profiles of the NiTi surfaces after laser scribing at 56 mJ/pulse show the partially-recovered indents, which indicate a "shape memory effect (SME)" Experimental data is in good agreement with theoretical simulation of laser induced shock wave propagation inside NiTi SMAs. Stress wave closely followed the rise time of the laser pulse to its peak values and initial decay. Further investigations are underway to improve the SME such that the indents are recovered to a greater extent.

Surface evolution of two-component stone/ice bodies in the Jupiter region

NASA Astrophysics Data System (ADS)

Hartmann, W. K.

1980-11-01

Observational and theoretical data converge on the conclusion that planetesimals in Jupiter's region of the solar nebula were initially composed predominantly of a mixture of roughly 39-70% H2O ice by volume, and 30-61% dark stony material resembling carbonaceous chondrites. Recent observations emphasize a division of most asteroid and satellite surfaces in this region into two distinct groups: bright icy material and dark stony material. The present model accounts for these by two main processes: an impact-induced buildup of a dark stony regolith in the absence of surface thermal disturbance, and thermal-disturbance-induced eruption of 'water magmas' that create icy surfaces. 'Thermal disturbances' include tidal and radiative effects caused by nearness of a planet. A correlation of crater density and albedo, Ganymede's dark-ray craters, and other observed phenomena (listed in the summary) appear consistent with the model discussed here.

AlGaAs growth by OMCVD using an excimer laser

NASA Technical Reports Server (NTRS)

Warner, Joseph D.; Wilt, David M.; Pouch, John J.; Aron, Paul R.

1986-01-01

AlGaAs has been grown on GaAs by laser assisted OMCVD using an excimer laser, wavelength 193 nm, and a Cambridge OMCVD reactor. Films were grown at temperatures of 450 and 500 C with the laser beam parallel to the surface and impinging onto the surface at 15 deg from parallel. The samples were heated by RF coils while the laser beam was perpendicular to the gas flow. Typical gas flow parameters are 12 slm of H2, 15 sccm of Ga(CH3)3, 13 sccm of Al(CH3)3, and a pressure of 250 mbar. The initial energy density of the beam at the surface was 40 mJ/sq cm, the pulse rate was 20 pps, and the growth time was 7 min. The films were analyzed by Auger electron spectroscopy for the aluminum concentration and by TEM for the surface morphology.

The frequency-domain approach for apparent density mapping

NASA Astrophysics Data System (ADS)

Tong, T.; Guo, L.

2017-12-01

Apparent density mapping is a technique to estimate density distribution in the subsurface layer from the observed gravity data. It has been widely applied for geologic mapping, tectonic study and mineral exploration for decades. Apparent density mapping usually models the density layer as a collection of vertical, juxtaposed prisms in both horizontal directions, whose top and bottom surfaces are assumed to be horizontal or variable-depth, and then inverts or deconvolves the gravity anomalies to determine the density of each prism. Conventionally, the frequency-domain approach, which assumes that both top and bottom surfaces of the layer are horizontal, is usually utilized for fast density mapping. However, such assumption is not always valid in the real world, since either the top surface or the bottom surface may be variable-depth. Here, we presented a frequency-domain approach for apparent density mapping, which permits both the top and bottom surfaces of the layer to be variable-depth. We first derived the formula for forward calculation of gravity anomalies caused by the density layer, whose top and bottom surfaces are variable-depth, and the formula for inversion of gravity anomalies for the density distribution. Then we proposed the procedure for density mapping based on both the formulas of inversion and forward calculation. We tested the approach on the synthetic data, which verified its effectiveness. We also tested the approach on the real Bouguer gravity anomalies data from the central South China. The top surface was assumed to be flat and was on the sea level, and the bottom surface was considered as the Moho surface. The result presented the crustal density distribution, which was coinciding well with the basic tectonic features in the study area.

Probing the energetics of organic–nanoparticle interactions of ethanol on calcite

DOE PAGES

Wu, Di; Navrotsky, Alexandra

2015-04-13

Knowing the nature of interactions between small organic molecules and surfaces of nanoparticles (NP) is crucial for fundamental understanding of natural phenomena and engineering processes. In this paper, we report direct adsorption enthalpy measurement of ethanol on a series of calcite nanocrystals, with the aim of mimicking organic–NP interactions in various environments. The energetics suggests a spectrum of adsorption events as a function of coverage: strongest initial chemisorption on active sites on fresh calcite surfaces, followed by major chemical binding to form an ethanol monolayer and, subsequently, very weak, near-zero energy, physisorption. Furthermore, these thermochemical observations directly support a structuremore » where the ethanol monolayer is bonded to the calcite surface through its polar hydroxyl group, leaving the hydrophobic ends of the ethanol molecules to interact only weakly with the next layer of adsorbing ethanol and resulting in a spatial gap with low ethanol density between the monolayer and subsequent added ethanol molecules, as predicted by molecular dynamics and density functional calculations. Such an ordered assembly of ethanol on calcite NP is analogous to, although less strongly bonded than, a capping layer of organics intentionally introduced during NP synthesis, and suggests a continuous variation of surface structure depending on molecular chemistry, ranging from largely disordered surface layers to ordered layers that nevertheless are mobile and can rearrange or be displaced by other molecules to strongly bonded immobile organic capping layers. Finally, these differences in surface structure will affect chemical reactions, including the further nucleation and growth of nanocrystals on organic ligand-capped surfaces.« less

A new temperature- and humidity-dependent surface site density approach for deposition ice nucleation

NASA Astrophysics Data System (ADS)

Steinke, I.; Hoose, C.; Möhler, O.; Connolly, P.; Leisner, T.

2015-04-01

Deposition nucleation experiments with Arizona Test Dust (ATD) as a surrogate for mineral dusts were conducted at the AIDA cloud chamber at temperatures between 220 and 250 K. The influence of the aerosol size distribution and the cooling rate on the ice nucleation efficiencies was investigated. Ice nucleation active surface site (INAS) densities were calculated to quantify the ice nucleation efficiency as a function of temperature, humidity and the aerosol surface area concentration. Additionally, a contact angle parameterization according to classical nucleation theory was fitted to the experimental data in order to relate the ice nucleation efficiencies to contact angle distributions. From this study it can be concluded that the INAS density formulation is a very useful tool to describe the temperature- and humidity-dependent ice nucleation efficiency of ATD particles. Deposition nucleation on ATD particles can be described by a temperature- and relative-humidity-dependent INAS density function ns(T, Sice) with ns(xtherm) = 1.88 ×105 · exp(0.2659 · xtherm) [m-2] , (1) where the temperature- and saturation-dependent function xtherm is defined as xtherm = -(T-273.2)+(Sice-1) ×100, (2) with the saturation ratio with respect to ice Sice >1 and within a temperature range between 226 and 250 K. For lower temperatures, xtherm deviates from a linear behavior with temperature and relative humidity over ice. Also, two different approaches for describing the time dependence of deposition nucleation initiated by ATD particles are proposed. Box model estimates suggest that the time-dependent contribution is only relevant for small cooling rates and low number fractions of ice-active particles.

Surface chemistry and density distribution influence on visible luminescence of silicon quantum dots: an experimental and theoretical approach.

PubMed

Dutt, Ateet; Matsumoto, Yasuhiro; Santana-Rodríguez, G; Ramos, Estrella; Monroy, B Marel; Santoyo Salazar, J

2017-01-04

The impact of the surface reconstruction of the density distribution and photoluminescence of silicon quantum dots (QDs) embedded in a silicon oxide matrix (SiO x ) has been studied. Annealing treatments carried out on the as-deposited samples provoked the effusion of hydrogen species. Moreover, depending on the surrounding density and coalescence of QDs, they resulted in a change in the average size of the particles depending on the initial local environment. The shift in the luminescence spectra all over the visible region (blue, green and red) shows a strong dependence on the resultant change in the size and/or the passivation environment of QDs. Density functional theoretical (DFT) calculations support this fact and explain the possible electronic transitions (HOMO-LUMO gap) involved. Passivation in the presence of oxygen species lowers the band gap of Si 29 and Si 35 nanoclusters up to 1.7 eV, whereas, surface passivation in the environment of hydrogen species increases the band gap up to 4.4 eV. These results show a good agreement with the quantum confinement model described in this work and explain the shift in the luminescence all over the visible region. The results reported here offer vital insight into the mechanism of emission from silicon quantum dots which has been one of the most debated topics in the last two decades. QDs with multiple size distribution in different local environments (band gap) observed in this work could be used for the fabrication of light emission diodes (LEDs) or shift-conversion thin films in third generation efficient tandem solar cells for the maximum absorption of the solar spectrum in different wavelength regions.

Defect reduction in Si-doped Al{sub 0.45}Ga{sub 0.55}N films by SiN{sub x} interlayer method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yang; Chen, Shengchang; Kong, Man

2014-01-28

The dislocation density in AlGaN epitaxial layers with Al content as high as 45% grown on sapphire substrates has been effectively reduced by introducing an in-situ deposited SiN{sub x} nanomask layer in this study. By closely monitoring the evolution of numerous material properties, such as surface morphology, dislocation density, photoluminescence, strain states, and electron mobility of the Si-Al{sub 0.45}Ga{sub 0.55}N layers as the functions of SiN{sub x} interlayer growth time, the surface coverage fraction of SiN{sub x} is found to be a crucial factor determining the strain states and dislocation density. The dependence of the strain states and the dislocationmore » density on the surface coverage fraction of SiN{sub x} nanomask supports the very different growth models of Al-rich AlGaN on SiN{sub x} interlayer due to the reduced nucleation selectivity compared with the GaN counterpart. Compared with GaN, which can only nucleate at open pores of SiN{sub x} nanomask, Al-rich AlGaN can simultaneously nucleate at both open pores and SiN{sub x} covered areas. Dislocations will annihilate at the openings due to the 3D growth initiated on the opening area, while 2D growth mode is preserved on SiN{sub x} and the threading dislocations are also preserved. During the following growth process, lateral overgrowth will proceed from the Al{sub 0.45}Ga{sub 0.55}N islands on the openings towards the regions covered by SiN{sub x}, relaxing the compressive strain and bending the dislocations at the same time.« less

On the Control of the Fixed Charge Densities in Al2O3-Based Silicon Surface Passivation Schemes.

PubMed

Simon, Daniel K; Jordan, Paul M; Mikolajick, Thomas; Dirnstorfer, Ingo

2015-12-30

A controlled field-effect passivation by a well-defined density of fixed charges is crucial for modern solar cell surface passivation schemes. Al2O3 nanolayers grown by atomic layer deposition contain negative fixed charges. Electrical measurements on slant-etched layers reveal that these charges are located within a 1 nm distance to the interface with the Si substrate. When inserting additional interface layers, the fixed charge density can be continuously adjusted from 3.5 × 10(12) cm(-2) (negative polarity) to 0.0 and up to 4.0 × 10(12) cm(-2) (positive polarity). A HfO2 interface layer of one or more monolayers reduces the negative fixed charges in Al2O3 to zero. The role of HfO2 is described as an inert spacer controlling the distance between Al2O3 and the Si substrate. It is suggested that this spacer alters the nonstoichiometric initial Al2O3 growth regime, which is responsible for the charge formation. On the basis of this charge-free HfO2/Al2O3 stack, negative or positive fixed charges can be formed by introducing additional thin Al2O3 or SiO2 layers between the Si substrate and this HfO2/Al2O3 capping layer. All stacks provide very good passivation of the silicon surface. The measured effective carrier lifetimes are between 1 and 30 ms. This charge control in Al2O3 nanolayers allows the construction of zero-fixed-charge passivation layers as well as layers with tailored fixed charge densities for future solar cell concepts and other field-effect based devices.

The acid-base titration of montmorillonite

NASA Astrophysics Data System (ADS)

Bourg, I. C.; Sposito, G.; Bourg, A. C.

2003-12-01

Proton binding to clay minerals plays an important role in the chemical reactivity of soils (e.g., acidification, retention of nutrients or pollutants). If should also affect the performance of clay barriers for waste disposal. The surface acidity of clay minerals is commonly modelled empirically by assuming generic amphoteric surface sites (>SOH) on a flat surface, with fitted site densities and acidity constant. Current advances in experimental methods (notably spectroscopy) are rapidly improving our understanding of the structure and reactivity of the surface of clay minerals (arrangement of the particles, nature of the reactive surface sites, adsorption mechanisms). These developments are motivated by the difficulty of modelling the surface chemistry of mineral surfaces at the macro-scale (e.g., adsorption or titration) without a detailed (molecular-scale) picture of the mechanisms, and should be progressively incorporated into surface complexation models. In this view, we have combined recent estimates of montmorillonite surface properties (surface site density and structure, edge surface area, surface electrostatic potential) with surface site acidities obtained from the titration of alpha-Al2O3 and SiO2, and a novel method of accounting for the unknown initial net proton surface charge of the solid. The model predictions were compared to experimental titrations of SWy-1 montmorillonite and purified MX-80 bentonite in 0.1-0.5 mol/L NaClO4 and 0.005-0.5 mol/L NaNO3 background electrolytes, respectively. Most of the experimental data were appropriately described by the model after we adjusted a single parameter (silanol sites on the surface of montmorillonite were made to be slightly more acidic than those of silica). At low ionic strength and acidic pH the model underestimated the buffering capacity of the montmorillonite, perhaps due to clay swelling or to the interlayer adsorption of dissolved aluminum. The agreement between our model and the experimental data illustrates the complementarity of molecular and macro-scale descriptions of the clay reactivity.

Method for Estimating the Charge Density Distribution on a Dielectric Surface.

PubMed

Nakashima, Takuya; Suhara, Hiroyuki; Murata, Hidekazu; Shimoyama, Hiroshi

2017-06-01

High-quality color output from digital photocopiers and laser printers is in strong demand, motivating attempts to achieve fine dot reproducibility and stability. The resolution of a digital photocopier depends on the charge density distribution on the organic photoconductor surface; however, directly measuring the charge density distribution is impossible. In this study, we propose a new electron optical instrument that can rapidly measure the electrostatic latent image on an organic photoconductor surface, which is a dielectric surface, as well as a novel method to quantitatively estimate the charge density distribution on a dielectric surface by combining experimental data obtained from the apparatus via a computer simulation. In the computer simulation, an improved three-dimensional boundary charge density method (BCM) is used for electric field analysis in the vicinity of the dielectric material with a charge density distribution. This method enables us to estimate the profile and quantity of the charge density distribution on a dielectric surface with a resolution of the order of microns. Furthermore, the surface potential on the dielectric surface can be immediately calculated using the obtained charge density. This method enables the relation between the charge pattern on the organic photoconductor surface and toner particle behavior to be studied; an understanding regarding the same may lead to the development of a new generation of higher resolution photocopiers.

Gravity Field Characterization around Small Bodies

NASA Astrophysics Data System (ADS)

Takahashi, Yu

A small body rendezvous mission requires accurate gravity field characterization for safe, accurate navigation purposes. However, the current techniques of gravity field modeling around small bodies are not achieved to the level of satisfaction. This thesis will address how the process of current gravity field characterization can be made more robust for future small body missions. First we perform the covariance analysis around small bodies via multiple slow flybys. Flyby characterization requires less laborious scheduling than its orbit counterpart, simultaneously reducing the risk of impact into the asteroid's surface. It will be shown that the level of initial characterization that can occur with this approach is no less than the orbit approach. Next, we apply the same technique of gravity field characterization to estimate the spin state of 4179 Touatis, which is a near-Earth asteroid in close to 4:1 resonance with the Earth. The data accumulated from 1992-2008 are processed in a least-squares filter to predict Toutatis' orientation during the 2012 apparition. The center-of-mass offset and the moments of inertia estimated thereof can be used to constrain the internal density distribution within the body. Then, the spin state estimation is developed to a generalized method to estimate the internal density distribution within a small body. The density distribution is estimated from the orbit determination solution of the gravitational coefficients. It will be shown that the surface gravity field reconstructed from the estimated density distribution yields higher accuracy than the conventional gravity field models. Finally, we will investigate two types of relatively unknown gravity fields, namely the interior gravity field and interior spherical Bessel gravity field, in order to investigate how accurately the surface gravity field can be mapped out for proximity operations purposes. It will be shown that these formulations compute the surface gravity field with unprecedented accuracy for a well-chosen set of parametric settings, both regionally and globally.

Equilibrium star formation in a constant Q disc: model optimization and initial tests

NASA Astrophysics Data System (ADS)

Zheng, Zheng; Meurer, Gerhardt R.; Heckman, Timothy M.; Thilker, David A.; Zwaan, Martin A.

2013-10-01

We develop a model for the distribution of the interstellar medium (ISM) and star formation in galaxies based on recent studies that indicate that galactic discs stabilize to a constant stability parameter, which we combine with prescriptions of how the phases of the ISM are determined and for the star formation law (SFL). The model predicts the gas surface mass density and star formation intensity of a galaxy given its rotation curve, stellar surface mass density and the gas velocity dispersion. This model is tested on radial profiles of neutral and molecular ISM surface mass density and star formation intensity of 12 galaxies selected from the H I Nearby Galaxy Survey sample. Our tests focus on intermediate radii (0.3 to 1 times the optical radius) because there are insufficient data to test the outer discs and the fits are less accurate in detail in the centre. Nevertheless, the model produces reasonable agreement with the ISM mass and star formation rate integrated over the central region in all but one case. To optimize the model, we evaluate four recipes for the stability parameter, three recipes for apportioning the ISM into molecular and neutral components, and eight versions of the SFL. We find no clear-cut best prescription for the two-fluid (gas and stars) stability parameter Q2f and therefore for simplicity, we use the Wang and Silk approximation (QWS). We found that an empirical scaling between the molecular-to-neutral ISM ratio (Rmol) and the stellar surface mass density proposed by Leroy et al. works marginally better than the other two prescriptions for this ratio in predicting the ISM profiles, and noticeably better in predicting the star formation intensity from the ISM profiles produced by our model with the SFLs we tested. Thus, in the context of our modelled ISM profiles, the linear molecular SFL and the two-component SFL work better than the other prescriptions we tested. We incorporate these relations into our `constant Q disc' model.

Bank accretion and the development of vegetated depositional surfaces along modified alluvial channels

USGS Publications Warehouse

Hupp, C.R.; Simon, A.

1991-01-01

This paper describes the recovery of stable bank form and development of vegetated depositional surfaces along the banks of channelized West Tennessee streams. Most perennial streams in West Tennessee were straightened and dredged since the turn of the century. Patterns of fluvial ecological responses to channelization have previously been described by a six-stage model. Dendrogeomorphic (tree-ring) techniques allowed the determination of location, timing, amount, and rate of bank-sediment deposition. Channel cross sections and ecological analyses made at 101 locations along 12 streams, encompassing bends and straight reaches, show that channel and bank processes initially react vertically to channelization through downcutting. A depositional surface forms on banks once bed-degradation and heightened bank mass wasting processes have eased or slowed. The formation of this depositional surface marks the beginning of bank recovery from channelization. Dominating lateral processes, characteristic of stable or natural channels, return during the formation and expansion of the depositional surface, suggesting a relation with thalweg deflection, point-bar development, and meanderloop extension. Characteristic woody riparian vegetation begins to grow as this depositional surface develops and becomes part of the process and form of restabilizing banks. The depositional surface initially forms low on the bank and tends to maintain a slope of about 24??. Mean accretion rates ranges from 5.9 cm/yr on inside bends to 0 cm/yr on most outside bends; straight reaches have a mean-accretion rate of 4.2 cm/yr. The relatively stable, convex upward, depositional surface expands and ultimately attaches to the flood plain. The time required for the recovery process to reach equilibrium averaged about 50 years. Indicative pioneer speccies of woody riparian vegetation include black willow, river birch, silver maple, and boxelder. Stem densities generally decrease with time after and initial flush of about 160 stems per 100 m2. Together bank accretion and vegetative regrowth appear to be the most important environmental processes involved in channel bank recovery from channelization or rejuvenation. ?? 1991.

Moon (Form-Origin)

NASA Astrophysics Data System (ADS)

Tsiapas, Elias

2016-04-01

When the Earth was formed, it was in a state of burning heat. As time went by, temperature on the planet's surface was falling due to radiation and heat transfer, and various components (crusts) began taking solid form at the Earth's poles. The formation of crusts took place at the Earth's poles, because the stirring of burning and fluid masses on the surface of the Earth was significantly slighter there than it was on the equator. Due to centrifugal force and Coriolis Effect, these solid masses headed towards the equator; those originating from the North Pole followed a south-western course, while those originating from the South Pole followed a north-western course and there they rotated from west to east at a lower speed than the underlying burning and liquid earth, because of their lower initial linear velocity, their solid state and inertia. Because inertia is proportional to mass, the initially larger solid body swept all new solid ones, incorporating them to its western side. The density of the new solid masses was higher, because the components on the surface would freeze and solidify first, before the underlying thicker components. As a result, the western side of the initial islet of solid rocks submerged, while the east side elevated. . As a result of the above, this initial islet began to spin in reverse, and after taking on the shape of a sphere, it formed the "heart" of the Moon. The Moon-sphere, rolling on the equator, would sink the solid rocks that continued to descend from the Earth's poles. The sinking rocks partially melted because of higher temperatures in the greater depths that the Moon descended to, while part of the rocks' mass bonded with the Moon and also served as a heat-insulating material, preventing the descended side of the sphere from melting. Combined with the Earth's liquid mass that covered its emerging eastern surface, new sphere-shaped shells were created, with increased density and very powerful structural cohesion. During the above mentioned process, the thick clouds surrounding Earth-Moon were causing heavy storms and on the outer surface of the rolling Moon, wherever small cavities - or pockets - existed, these would fill up with water. Then, due to the Moon's changing tilt, these pockets were sealed by sediments and as a result, small water tanks are scattered on the successive layers of the Moon, from its centre to its surface. . As this sphere (the Moon) continued to grow, the Earth-Moon system was displaying a double-planet image. The Moon's reverse rolling velocity increased according to the increase of its mass and volume. As the temperature on the surface of the Earth continued to fall, a larger number of bigger sized solid masses were descending from the poles towards the equator, and the Moon could no longer aggregate them. The gathering and interference of solid rocks of great mass acted as the catapult on which the Moon bounced off the Earth and was put into orbit around it.

Moon (Form-Origin)

NASA Astrophysics Data System (ADS)

Tsiapas, Elias; Soumelidou, Despina; Tsiapas, Christos

2017-04-01

When the Earth was formed, it was in a state of burning heat. As time went by, temperature on the planet's surface was falling due to radiation and heat transfer, and various components (crusts) began taking solid form at the Earth's poles. The formation of crusts took place at the Earth's poles, because the stirring of burning and fluid masses on the surface of the Earth was significantly slighter there than it was on the equator. Due to centrifugal force and Coriolis Effect, these solid masses headed towards the equator; those originating from the North Pole followed a south-western course, while those originating from the South Pole followed a north-western course and there they rotated from west to east at a lower speed than the underlying burning and liquid earth, because of their lower initial linear velocity, their solid state and inertia. Because inertia is proportional to mass, the initially larger solid body swept all new solid ones, incorporating them to its western side. The density of the new solid masses was higher, because the components on the surface would freeze and solidify first, before the underlying thicker components. As a result, the western side of the initial islet of solid rocks submerged, while the east side elevated. . As a result of the above, this initial islet began to spin in reverse, and after taking on the shape of a sphere, it formed the "heart" of the Moon. The Moon-sphere, rolling on the equator, would sink the solid rocks that continued to descend from the Earth's poles. The sinking rocks partially melted because of higher temperatures in the greater depths that the Moon descended to, while part of the rocks' mass bonded with the Moon and also served as a heat-insulating material, preventing the descended side of the sphere from melting. Combined with the Earth's liquid mass that covered its emerging eastern surface, new sphere-shaped shells were created, with increased density and very powerful structural cohesion. During the above mentioned process, the thick clouds surrounding Earth-Moon were causing heavy storms and on the outer surface of the rolling Moon, wherever small cavities - or pockets - existed, these would fill up with water. Then, due to the Moon's changing tilt, these pockets were sealed by sediments and as a result, small water tanks are scattered on the successive layers of the Moon, from its centre to its surface. . As this sphere (the Moon) continued to grow, the Earth-Moon system was displaying a double-planet image. The Moon's reverse rolling velocity increased according to the increase of its mass and volume. As the temperature on the surface of the Earth continued to fall, a larger number of bigger sized solid masses were descending from the poles towards the equator, and the Moon could no longer aggregate them. The gathering and interference of solid rocks of great mass acted as the catapult on which the Moon bounced off the Earth and was put into orbit around it.

Moon (Form-Origin)

NASA Astrophysics Data System (ADS)

Tsiapas, Elias

2015-04-01

When the Earth was formed, it was in a state of burning heat. As time went by, temperature on the planet's surface was falling due to radiation and heat transfer, and various components (crusts) began taking solid form at the Earth's poles. The formation of crusts took place at the Earth's poles, because the stirring of burning and fluid masses on the surface of the Earth was significantly slighter there than it was on the equator. Due to centrifugal force and Coriolis Effect, these solid masses headed towards the equator; those originating from the North Pole followed a south-western course, while those originating from the South Pole followed a north-western course and there they rotated from west to east at a lower speed than the underlying burning and liquid earth, because of their lower initial linear velocity, their solid state and inertia. Because inertia is proportional to mass, the initially larger solid body swept all new solid ones, incorporating them to its western side. The density of the new solid masses was higher, because the components on the surface would freeze and solidify first, before the underlying thicker components. As a result, the western side of the initial islet of solid rocks submerged, while the east side elevated. . As a result of the above, this initial islet began to spin in reverse, and after taking on the shape of a sphere, it formed the "heart" of the Moon. The Moon-sphere, rolling on the equator, would sink the solid rocks that continued to descend from the Earth's poles. The sinking rocks partially melted because of higher temperatures in the greater depths that the Moon descended to, while part of the rocks' mass bonded with the Moon and also served as a heat-insulating material, preventing the descended side of the sphere from melting. Combined with the Earth's liquid mass that covered its emerging eastern surface, new sphere-shaped shells were created, with increased density and very powerful structural cohesion. During the above mentioned process, the thick clouds surrounding Earth-Moon were causing heavy storms and on the outer surface of the rolling Moon, wherever small cavities - or pockets - existed, these would fill up with water. Then, due to the Moon's changing tilt, these pockets were sealed by sediments and as a result, small water tanks are scattered on the successive layers of the Moon, from its centre to its surface. . As this sphere (the Moon) continued to grow, the Earth-Moon system was displaying a double-planet image. The Moon's reverse rolling velocity increased according to the increase of its mass and volume. As the temperature on the surface of the Earth continued to fall, a larger number of bigger sized solid masses were descending from the poles towards the equator, and the Moon could no longer aggregate them. The gathering and interference of solid rocks of great mass acted as the catapult on which the Moon bounced off the Earth and was put into orbit around it.

Moon (Form-Origin)

NASA Astrophysics Data System (ADS)

Tsiapas, Elias

2014-05-01

When the Earth was formed, it was in a state of burning heat. As time went by, temperature on the planet's surface was falling due to radiation and heat transfer, and various components (crusts) began taking solid form at the Earth's poles. The formation of crusts took place at the Earth's poles, because the stirring of burning and fluid masses on the surface of the Earth was significantly slighter there than it was on the equator. Due to centrifugal force and Coriolis Effect, these solid masses headed towards the equator; those originating from the North Pole followed a south-western course, while those originating from the South Pole followed a north-western course and there they rotated from west to east at a lower speed than the underlying burning and liquid earth, because of their lower initial linear velocity, their solid state and inertia. Because inertia is proportional to mass, the initially larger solid body swept all new solid ones, incorporating them to its western side. The density of the new solid masses was higher, because the components on the surface would freeze and solidify first, before the underlying thicker components. As a result, the western side of the initial islet of solid rocks submerged, while the east side elevated. . As a result of the above, this initial islet began to spin in reverse, and after taking on the shape of a sphere, it formed the "heart" of the Moon. The Moon-sphere, rolling on the equator, would sink the solid rocks that continued to descend from the Earth's poles. The sinking rocks partially melted because of higher temperatures in the greater depths that the Moon descended to, while part of the rocks' mass bonded with the Moon and also served as a heat-insulating material, preventing the descended side of the sphere from melting. Combined with the Earth's liquid mass that covered its emerging eastern surface, new sphere-shaped shells were created, with increased density and very powerful structural cohesion. During the above mentioned process, the thick clouds surrounding Earth-Moon were causing heavy storms and on the outer surface of the rolling Moon, wherever small cavities - or pockets - existed, these would fill up with water. Then, due to the Moon's changing tilt, these pockets were sealed by sediments and as a result, small water tanks are scattered on the successive layers of the Moon, from its centre to its surface. . As this sphere (the Moon) continued to grow, the Earth-Moon system was displaying a double-planet image. The Moon's reverse rolling velocity increased according to the increase of its mass and volume. As the temperature on the surface of the Earth continued to fall, a larger number of bigger sized solid masses were descending from the poles towards the equator, and the Moon could no longer aggregate them. The gathering and interference of solid rocks of great mass acted as the catapult on which the Moon bounced off the Earth and was put into orbit around it..

Aerogel-Positronium Technology for the Detection of Small Quantities of Organic and/or Toxic Materials

NASA Technical Reports Server (NTRS)

Petkov, Mihail P.; Jones, Steven M.

2010-01-01

The Ps-aerogel system [Ps is positronium (an electron-positron-hydrogen-like atom)] has been evaluated and optimized as a potential tool for planetary exploration missions. Different configurations of use were assessed, and the results provide a quantitative measure of the expected performance. The aerogel density is first optimized to attain maximum production of Ps that reaches the pores of the aerogel. This has been accomplished, and the optimum aerogel density is .70 mg/cm3. The aerogel is used as a concentrator for target volatile moieties, which accumulate in its open porosity over an extended period of time. For the detection of the accumulated materials, the use of Ps as a probe for the environment at the pore surface, has been proposed. This concept is based on two steps: (1) using aerogel to produce Ps and (2) using the propensity of Ps to interact differently with organic and inorganic matter. The active area of such a detector will comprise aerogel with a certain density, specific surface area, and gas permeability optimized for Ps production and gas diffusion and adsorption. The aerogel is a natural adsorber of organic molecules, which adhere to its internal surface, where their presence is detected by the Ps probe. Initial estimates indicate that, e.g., trace organic molecules in the Martian atmosphere, can be detected at the ppm level, which rivals current methods having significantly higher complexity, volume, mass, and power consumption (e.g. Raman, IR).

Modeling UV Radiation Feedback from Massive Stars. II. Dispersal of Star-forming Giant Molecular Clouds by Photoionization and Radiation Pressure

NASA Astrophysics Data System (ADS)

Kim, Jeong-Gyu; Kim, Woong-Tae; Ostriker, Eve C.

2018-05-01

UV radiation feedback from young massive stars plays a key role in the evolution of giant molecular clouds (GMCs) by photoevaporating and ejecting the surrounding gas. We conduct a suite of radiation hydrodynamic simulations of star cluster formation in marginally bound, turbulent GMCs, focusing on the effects of photoionization and radiation pressure on regulating the net star formation efficiency (SFE) and cloud lifetime. We find that the net SFE depends primarily on the initial gas surface density, Σ0, such that the SFE increases from 4% to 51% as Σ0 increases from 13 to 1300 {M}ȯ {pc}}-2. Cloud destruction occurs within 2–10 Myr after the onset of radiation feedback, or within 0.6–4.1 freefall times (increasing with Σ0). Photoevaporation dominates the mass loss in massive, low surface density clouds, but because most photons are absorbed in an ionization-bounded Strömgren volume, the photoevaporated gas fraction is proportional to the square root of the SFE. The measured momentum injection due to thermal and radiation pressure forces is proportional to {{{Σ }}}0-0.74, and the ejection of neutrals substantially contributes to the disruption of low mass and/or high surface density clouds. We present semi-analytic models for cloud dispersal mediated by photoevaporation and by dynamical mass ejection, and show that the predicted net SFE and mass loss efficiencies are consistent with the results of our numerical simulations.

Pulsed metallic-plasma generators.

NASA Technical Reports Server (NTRS)

Gilmour, A. S., Jr.; Lockwood, D. L.

1972-01-01

A pulsed metallic-plasma generator is described which utilizes a vacuum arc as the plasma source. The arc is initiated on the surface of a consumable cathode which can be any electrically conductive material. Ignition is accomplished by using a current pulse to vaporize a portion of a conductive film on the surface of an insulator separating the cathode from the ignition electrode. The film is regenerated during the ensuing arc. Over 100 million ignition cycles have been accomplished by using four 0.125-in. diameter zinc cathodes operating in parallel and high-density aluminum-oxide insulators. Among the applications being investigated for the generator are metal deposition, vacuum pumping, electric propulsion, and high-power dc arc interruption.

Steel bonded dense silicon nitride compositions and method for their fabrication

DOEpatents

Landingham, R.L.; Shell, T.E.

1985-05-20

A two-stage bonding technique for bonding high density silicon nitride and other ceramic materials to stainless steel and other hard metals, and multilayered ceramic-metal composites prepared by the technique are disclosed. The technique involves initially slurry coating a surface of the ceramic material at about 1500/sup 0/C in a vacuum with a refractory material and the stainless steel is then pressure bonded to the metallic coated surface by brazing it with nickel-copper-silver or nickel-copper-manganese alloys at a temperature in the range of about 850/sup 0/ to 950/sup 0/C in a vacuum. The two-stage bonding technique minimizes the temperature-expansion mismatch between the dissimilar materials.

Steel bonded dense silicon nitride compositions and method for their fabrication

DOEpatents

Landingham, Richard L.; Shell, Thomas E.

1987-01-01

A two-stage bonding technique for bonding high density silicon nitride and other ceramic materials to stainless steel and other hard metals, and multilayered ceramic-metal composites prepared by the technique are disclosed. The technique involves initially slurry coating a surface of the ceramic material at about 1500.degree. C. in a vacuum with a refractory material and the stainless steel is then pressure bonded to the metallic coated surface by brazing it with nickel-copper-silver or nickel-copper-manganese alloys at a temperature in the range of about 850.degree. to 950.degree. C. in a vacuum. The two-stage bonding technique minimizes the temperature-expansion mismatch between the dissimilar materials.

Hand-mouth transfer and potential for exposure to E. coli and F+ coliphage in beach sand, Chicago, Illinois

USGS Publications Warehouse

Whitman, R.L.; Przybyla-Kelly, K.; Shively, D.A.; Nevers, M.B.; Byappanahalli, M.N.

2009-01-01

Beach sand contains fecal indicator bacteria, often in densities greatly exceeding the adjacent swimming waters. We examined the transferability of Escherichia coli and F+ coliphage (MS2) from beach sand to hands in order to estimate the potential subsequent health risk. Sand with high initial E. coli concentrations was collected from a Chicago beach. Individuals manipulated the sand for 60 seconds, and rinse water was analysed for E. coli and coliphage. E. coli densities transferred were correlated with density in sand rather than surface area of an individual's hand, and the amount of coliphage transferred from seeded sand was different among individuals. In sequential rinsing, percentage reduction was 92% for E. coli and 98% for coliphage. Using dose-response estimates developed for swimming water, it was determined that the number of individuals per thousand that would develop gastrointestinal symptoms would be 11 if all E. coli on the fingertip were ingested or 33 if all E. coli on the hand were ingested. These results suggest that beach sand may be an important medium for microbial exposure; bacteria transfer is related to initial concentration in the sand; and rinsing may be effective in limiting oral exposure to sand-borne microbes of human concern.

Effect of surface charge density on the affinity of oxide nanoparticles for the vapor-water interface.

PubMed

Brown, Matthew A; Duyckaerts, Nicolas; Redondo, Amaia Beloqui; Jordan, Inga; Nolting, Frithjof; Kleibert, Armin; Ammann, Markus; Wörner, Hans Jakob; van Bokhoven, Jeroen A; Abbas, Zareen

2013-04-23

Using in-situ X-ray photoelectron spectroscopy at the vapor-water interface, the affinity of nanometer-sized silica colloids to adsorb at the interface is shown to depend on colloid surface charge density. In aqueous suspensions at pH 10 corrected Debye-Hückel theory for surface complexation calculations predict that smaller silica colloids have increased negative surface charge density that originates from enhanced screening of deprotonated silanol groups (≡Si-O(-)) by counterions in the condensed ion layer. The increased negative surface charge density results in an electrostatic repulsion from the vapor-water interface that is seen to a lesser extent for larger particles that have a reduced charge density in the XPS measurements. We compare the results and interpretation of the in-situ XPS and corrected Debye-Hückel theory for surface complexation calculations with traditional surface tension measurements. Our results show that controlling the surface charge density of colloid particles can regulate their adsorption to the interface between two dielectrics.

The effect of sedimentation and diffusion on cellular uptake of gold nanoparticles

PubMed Central

Cho, Eun Chul; Zhang, Qiang; Xia, Younan

2011-01-01

In vitro experiments typically measure the uptake of nanoparticles by exposing cells at the bottom of a culture plate to a suspension of nanoparticles, which is assumed to be well-dispersed. However, nanoparticles can sediment and this means the concentration of particles on the cell surface and those actually taken up by the cells may be higher than the initial bulk concentration. Here we use upright and inverted cell culture configurations to show that cellular uptake of gold nanoparticles depends on the sedimentation and diffusion velocities of the nanoparticles and is independent of size, shape, density, surface coating and initial concentration of the nanoparticles. Generally more nanoparticles are taken up in the upright configuration than the inverted one and nanoparticles that sediment faster showed greater differences in uptake between the two configurations. Our results suggest that cellular uptake of nanoparticles is sensitive to the way cells are positioned and sedimentation need to be considered when performing in vitro studies for large and heavy nanoparticles. PMID:21516092

Linear dependence of surface expansion speed on initial plasma temperature in warm dense matter

DOE PAGES

Bang, Woosuk; Albright, Brian James; Bradley, Paul Andrew; ...

2016-07-12

Recent progress in laser-driven quasi-monoenergetic ion beams enabled the production of uniformly heated warm dense matter. Matter heated rapidly with this technique is under extreme temperatures and pressures, and promptly expands outward. While the expansion speed of an ideal plasma is known to have a square-root dependence on temperature, computer simulations presented here show a linear dependence of expansion speed on initial plasma temperature in the warm dense matter regime. The expansion of uniformly heated 1–100 eV solid density gold foils was modeled with the RAGE radiation-hydrodynamics code, and the average surface expansion speed was found to increase linearly withmore » temperature. The origin of this linear dependence is explained by comparing predictions from the SESAME equation-of-state tables with those from the ideal gas equation-of-state. In conclusion, these simulations offer useful insight into the expansion of warm dense matter and motivate the application of optical shadowgraphy for temperature measurement.« less

Reactive pathways of hydrogen and carbon removal from organosilicate glass low- κ films by F atoms

NASA Astrophysics Data System (ADS)

Voronina, Ekaterina N.; Mankelevich, Yuri A.; Rakhimova, Tatyana V.

2017-07-01

Direct molecular dynamic simulation on the base of the density functional theory (DFT) method is used to study some critical reactions of F atoms with organosilicate glass (OSG) low-κ films. Here static and dynamic DFT-based approaches are applied for a variety of reactive pathways of hydrogen and carbon removal in the form of volatile products (HF, CF2 and CF3 molecules) from initial SiCH3 surface groups. These reactions constitute an important part of the proposed multi-step mechanism of OSG films damage and etching by thermal F atoms. Two models (POSS and TMCTS macromolecules and their modifications) are used to illustrate the peculiarities and dynamics of the successive reactions of F atoms with the initial SiCH3 and appeared SiCHxFy (x + y ≤ 3) surface groups. Contribution to the Topical Issue "Dynamics of Molecular Systems (MOLEC 2016)", edited by Alberto Garcia-Vela, Luis Banares and Maria Luisa Senent.

Reduction of Fe(III) colloids by Shewanella putrefaciens: A kinetic model

NASA Astrophysics Data System (ADS)

Bonneville, Steeve; Behrends, Thilo; van Cappellen, Philippe; Hyacinthe, Christelle; Röling, Wilfred F. M.

2006-12-01

A kinetic model for the microbial reduction of Fe(III) oxyhydroxide colloids in the presence of excess electron donor is presented. The model assumes a two-step mechanism: (1) attachment of Fe(III) colloids to the cell surface and (2) reduction of Fe(III) centers at the surface of attached colloids. The validity of the model is tested using Shewanella putrefaciens and nanohematite as model dissimilatory iron reducing bacteria and Fe(III) colloidal particles, respectively. Attachment of nanohematite to the bacteria is formally described by a Langmuir isotherm. Initial iron reduction rates are shown to correlate linearly with the relative coverage of the cell surface by nanohematite particles, hence supporting a direct electron transfer from membrane-bound reductases to mineral particles attached to the cells. Using internally consistent parameter values for the maximum attachment capacity of Fe(III) colloids to the cells, Mmax, the attachment constant, KP, and the first-order Fe(III) reduction rate constant, k, the model reproduces the initial reduction rates of a variety of fine-grained Fe(III) oxyhydroxides by S. putrefaciens. The model explains the observed dependency of the apparent Fe(III) half-saturation constant, Km∗, on the solid to cell ratio, and it predicts that initial iron reduction rates exhibit saturation with respect to both the cell density and the abundance of the Fe(III) oxyhydroxide substrate.

The role of the attractive and the repulsive interactions in the nonpolar solvation dynamics in simple fluids from the gas-like to the liquid-like densities

NASA Astrophysics Data System (ADS)

Yamaguchi, T.; Kimura, Y.; Hirota, N.

1999-09-01

We have performed molecular dynamics (MD) simulations of the nonpolar solvation dynamics in simple fluids composed of particles interacting through the Lennard-Jones (LJ) 12-6 potential or its repulsive part. The attractive or the repulsive part of the solute-solvent interaction is assumed to change on the excitation of a solute. We have followed the transition energy fluctuation of the solute by the equilibrium simulation. The division of the LJ potential followed the method of WCA [J. W. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 54, 5237 (1971)]. We have surveyed over a wide solvent density region from gas-like to liquid-like densities at the constant temperature. When the attractive part changes, the relaxation becomes faster with an increase of the solvent density. This result contradicts with previous theories that treat the nonpolar solvation dynamics in terms of the diffusion of solvent particles. The time scale of the initial part of the relaxation is well correlated with the static fluctuation divided by the static average, which suggests the importance of the curvature of the free energy surface in the initial part of the solvation. When the repulsive part changes, the initial part of the relaxation is almost density independent, determined by the binary motion between solute and solvent. It is consistent with the result that the static fluctuation is almost proportional to the static average, which indicates the absence of the static correlation between solvent particles. On the other hand, the solvation correlation function shows rather complicated density dependence at the longer time scale. In the case of the binary mixture solvent, the relaxation time is inversely proportional to the diffusion coefficient. On the basis of the nonpolar solvation dynamics, the validity of the isolated binary collision model for the vibrational energy relaxation is also discussed, and the recent hydrodynamic theory on the vibrational energy relaxation [B. J. Cherayil and M. D. Feyer, J. Chem. Phys. 107, 7642 (1997)] is critically examined.

Surface grafted glycopolymer brushes to enhance selective adhesion of HepG2 cells.

PubMed

Chernyy, Sergey; Jensen, Bettina E B; Shimizu, Kyoko; Ceccato, Marcel; Pedersen, Steen Uttrup; Zelikin, Alexander N; Daasbjerg, Kim; Iruthayaraj, Joseph

2013-08-15

This work demonstrates the application of carbohydrate based methacrylate polymer brush, poly(2-lactobionamidoethyl methacrylate), for the purpose of cell adhesion studies. The first part of the work illustrates the effects of the structure of the aminosilane based ATRP initiator layer on the polymerization kinetics of 2-lactobionamidoethyl methacrylate) (LAMA) monomer on thermally oxidized silicon wafer. Both monolayer and multilayered aminosilane precursor layers have been prepared followed by reaction with 2-bromoisobutyrylbromide to form the ATRP initiator layer. It is inferred from the kinetic studies that the rate of termination is low on a multilayered initiator layer compared to a disordered monolayer structure. However both initiator types results in similar graft densities. Furthermore, it is shown that thick comb-like poly(LAMA) brushes can be constructed by initiating a second ATRP process on a previously formed poly(LAMA) brushes. The morphology of human hepatocellular carcinoma cancer cells (HepG2) on the comb-like poly(LAMA) brush layer has been studied. The fluorescent images of the HepG2 cells on the glycopolymer brush surface display distinct protrusions that extend outside of the cell periphery. On the other hand the cells on bare glass substrate display spheroid morphology. Further analysis using ToF-SIMS imaging shows that the HepG2 cells on glycopolymer surfaces is enriched with protein fragment along the cell periphery which is absent in the case of cells on bare glass substrate. It is suggested that the interaction of the galactose units of the polymer brush with the asialoglycoprotein receptor (ASGPR) of HepG2 cells has resulted in the protein enrichment along the cell periphery. Copyright © 2013 Elsevier Inc. All rights reserved.

Quartz resonator fluid density and viscosity monitor

DOEpatents

Martin, Stephen J.; Wiczer, James J.; Cernosek, Richard W.; Frye, Gregory C.; Gebert, Charles T.; Casaus, Leonard; Mitchell, Mary A.

1998-01-01

A pair of thickness-shear mode resonators, one smooth and one with a textured surface, allows fluid density and viscosity to be independently resolved. A textured surface, either randomly rough or regularly patterned, leads to trapping of liquid at the device surface. The synchronous motion of this trapped liquid with the oscillating device surface allows the device to weigh the liquid; this leads to an additional response that depends on liquid density. This additional response enables a pair of devices, one smooth and one textured, to independently resolve liquid density and viscosity; the difference in responses determines the density while the smooth device determines the density-viscosity product, and thus, the pair determines both density and viscosity.

Surface microstructure and high temperature corrosion resistance of arc-sprayed FeCrAl coating irradiated by high current pulsed electron beam

NASA Astrophysics Data System (ADS)

Hao, Shengzhi; Zhao, Limin; He, Dongyun

2013-10-01

The surface microstructure of arc-sprayed FeCrAl coating irradiated by high current pulsed electron beam (HCPEB) with long pulse duration of 200 μs was characterized by using optical microscopy, scanning electron microscopy and X-ray diffractometry. The distribution of chemical composition in modified surface layer was measured with electron probe micro-analyzer. The high temperature corrosion resistance of FeCrAl coating was tested in a saturated Na2SO4 and K2SO4 solution at 650 °C. After HCPEB irradiation, the coarse surface of arc-sprayed coating was changed as discrete bulged nodules with smooth and compact appearance. When using low energy density of 20 J/cm2, the surface modified layer was continuous entirely with an average melting depth of ˜30 μm. In the surface remelted layer, Fe and Cr elements gave a uniform distribution, while Al and O elements agglomerated particularly at the concave part between nodule structures to form α-Al2O3 phase. After high temperature corrosion tests, the FeCrAl coating treated with HCPEB of 20 J/cm2 remained a glossy surface with weight increment of ˜51 mg/cm2, decreased by 20% as compared to the initial sample. With the increasing energy density of HCPEB irradiation, the integrity of surface modified layer got segmented due to the formation of larger bulged nodules and cracks at the concave parts. For the HCPEB irradiation of 40 J/cm2, the high temperature corrosion resistance of FeCrAl coating was deteriorated drastically.

Effect of Ultrasonic Nano-Crystal Surface Modification (UNSM) on the Passivation Behavior of Aged 316L Stainless Steel

PubMed Central

Kim, Ki-Tae; Lee, Jung-Hee; Kim, Young-Sik

2017-01-01

Stainless steels have good corrosion resistance in many environments but welding or aging can decrease their resistance. This work focused on the effect of aging time and ultrasonic nano-crystal surface modification on the passivation behavior of 316L stainless steel. In the case of slightly sensitized 316L stainless steel, increasing the aging time drastically decreased the pitting potential, increased the passive current density, and decreased the resistance of the passive film, even though aging did not form chromium carbide and a chromium depletion zone. This behavior is due to the micro-galvanic corrosion between the matrix and carbon segregated area, and this shows the importance of carbon segregation in grain boundaries to the pitting corrosion resistance of stainless steel, in addition to the formation of the chromium depletion zone. UNSM (Ultrasonic Nano Crystal Surface Modification)-treatment to the slightly sensitized 316L stainless steel increased the pitting potential, decreased the passive current density, and increased the resistance of the passive film. However, in the case of heavily sensitized 316L stainless steel, UNSM-treatment decreased the pitting potential, increased the passive current density, and decreased the resistance of the passive film. This behavior is due to the dual effects of the UNSM-treatment. That is, the UNSM-treatment reduced the carbon segregation, regardless of whether the stainless steel 316L was slightly or heavily sensitized. However, since this treatment made mechanical flaws in the outer surface in the case of the heavily sensitized stainless steel, UNSM-treatment may eliminate chromium carbide, and this flaw can be a pitting initiation site, and therefore decrease the pitting corrosion resistance. PMID:28773067

Plasmodium vivax: ookinete destruction and oocyst development arrest are responsible for Anopheles albimanus resistance to circumsporozoite phenotype VK247 parasites.

PubMed

Gonzalez-Ceron, L; Rodriguez, M H; Santillan, F; Chavez, B; Nettel, J A; Hernandez-Avila, J E; Kain, K C

2001-07-01

Anopheles albimanus and An. pseudopunctipennis differ in their susceptibilities to Plasmodium vivax circumsporozoite phenotypes. An. pseudopunctipennis is susceptible to phenotype VK247 but almost refractory to VK210. In contrast, An. albimanus is almost refractory to VK247 but susceptible to VK210. To investigate the site in the mosquito and the parasite stage at which resistance mechanisms affect VK247 development in An. albimanus, parasite development was followed in a series of experiments in which both mosquitoes species were simultaneously infected with blood from patients. Parasite phenotype was determined in mature oocysts and salivary gland sporozoites by use of immunofluorescence and Western blot assays and/or gene identification. Ookinete maturation and their densities within the bloodmeal bolus were similar in both mosquito species. Ookinete densities on the internal midgut surface of An. albimanus were 4.7 times higher than those in An. pseudopunctipennis; however, the densities of developing oocysts on the external midgut surface were 6.12 times higher in the latter species. Electron microscopy observation of ookinetes in An. albimanus midgut epithelium indicated severe parasite damage. These results indicate that P. vivax VK247 parasites are destroyed at different parasite stages during migration in An. albimanus midguts. A portion, accumulated on the internal midgut surface, is probably destroyed by the mosquito's digestive enzymes and another portion is most likely destroyed by mosquito defense molecules within the midgut epithelium. A third group, reaching the external midgut surface, initiates oocyst development, but over 90% of them interrupt their development and die. The identification of mechanisms that participate in parasite destruction could provide new elements to construct transgenic mosquitoes resistant to malaria parasites. Copyright 2001 Academic Press.

Estimating Temporal Redistribution of Surface Melt Water into Upper Stratigraphy of the Juneau Icefield, Alaska

NASA Astrophysics Data System (ADS)

Wilner, J.; Smith, B.; Moore, T.; Campbell, S. W.; Slavin, B. V.; Hollander, J.; Wolf, J.

2015-12-01

The redistribution of winter accumulation from surface melt into firn or deeper layers (i.e. internal accumulation) remains a poorly understood component of glacier mass balance. Winter accumulation is usually quantified prior to summer melt, however the time window between accumulation and the onset of melt is minimal so this is not always possible. Studies which are initiated following the onset of summer melt either neglect sources of internal accumulation or attempt to estimate melt (and therefore winter accumulation uncertainty) through a variety of modeling methods. Here, we used ground-penetrating radar (GPR) repeat common midpoint (CMP) surveys with supporting common offset surveys, mass balance snow pits, and probing to estimate temporal changes in water content within the winter accumulation and firn layers of the southern Juneau Icefield, Alaska. In temperate glaciers, radio-wave velocity is primarily dependent on water content and snow or firn density. We assume density changes are temporally slow relative to water flow through the snow and firn pack, and therefore infer that changing radio-wave velocities measured by successive CMP surveys result from flux in surface melt through deeper layers. Preliminary CMP data yield radio-wave velocities of 0.15 to 0.2 m/ns in snowpack densities averaging 0.56 g cm-3, indicating partially to fully saturated snowpack (4-9% water content). Further spatial-temporal analysis of CMP surveys is being conducted. We recommend that repeat CMP surveys be conducted over a longer time frame to estimate stratigraphic water redistribution between the end of winter accumulation and maximum melt season. This information could be incorporated into surface energy balance models to further understanding of the influence of internal accumulation on glacier mass balance.

Effect of Ultrasonic Nano-Crystal Surface Modification (UNSM) on the Passivation Behavior of Aged 316L Stainless Steel.

PubMed

Kim, Ki-Tae; Lee, Jung-Hee; Kim, Young-Sik

2017-06-27

Stainless steels have good corrosion resistance in many environments but welding or aging can decrease their resistance. This work focused on the effect of aging time and ultrasonic nano-crystal surface modification on the passivation behavior of 316L stainless steel. In the case of slightly sensitized 316L stainless steel, increasing the aging time drastically decreased the pitting potential, increased the passive current density, and decreased the resistance of the passive film, even though aging did not form chromium carbide and a chromium depletion zone. This behavior is due to the micro-galvanic corrosion between the matrix and carbon segregated area, and this shows the importance of carbon segregation in grain boundaries to the pitting corrosion resistance of stainless steel, in addition to the formation of the chromium depletion zone. UNSM (Ultrasonic Nano Crystal Surface Modification)-treatment to the slightly sensitized 316L stainless steel increased the pitting potential, decreased the passive current density, and increased the resistance of the passive film. However, in the case of heavily sensitized 316L stainless steel, UNSM-treatment decreased the pitting potential, increased the passive current density, and decreased the resistance of the passive film. This behavior is due to the dual effects of the UNSM-treatment. That is, the UNSM-treatment reduced the carbon segregation, regardless of whether the stainless steel 316L was slightly or heavily sensitized. However, since this treatment made mechanical flaws in the outer surface in the case of the heavily sensitized stainless steel, UNSM-treatment may eliminate chromium carbide, and this flaw can be a pitting initiation site, and therefore decrease the pitting corrosion resistance.

The evolution of fracture surface roughness and its dependence on slip

NASA Astrophysics Data System (ADS)

Wells, Olivia L.

Under effective compression, impingement of opposing rough surfaces of a fracture can force the walls of the fracture apart during slip. Therefore, a fracture's surface roughness exerts a primary control on the amount of dilation that can be sustained on a fracture since the opposing surfaces need to remain in contact. Previous work has attempted to characterize fracture surface roughness through topographic profiles and power spectral density analysis, but these metrics describing the geometry of a fracture's surface are often non-unique when used independently. However, when combined these metrics are affective at characterizing fracture surface roughness, as well as the mechanisms affecting changes in roughness with increasing slip, and therefore changes in dilation. These mechanisms include the influence of primary grains and pores on initial fracture roughness, the effect of linkage on locally increasing roughness, and asperity destruction that limits the heights of asperities and forms gouge. This analysis reveals four essential stages of dilation during the lifecycle of a natural fracture, whereas previous slip-dilation models do not adequately address the evolution of fracture surface roughness: (1) initial slip companied by small dilation is mediated by roughness controlled by the primary grain and pore dimensions; (2) rapid dilation during and immediately following fracture growth by linkage of formerly isolated fractures; (3) wear of the fracture surface and gouge formation that minimizes dilation; and (4) between slip events cementation that modifies the mineral constituents in the fracture. By identifying these fundamental mechanisms that influence fracture surface roughness, this new conceptual model relating dilation to slip has specific applications to Enhanced Geothermal Systems (EGS), which attempt to produce long-lived dilation in natural fractures by inducing slip.

Theory of C2Hx species on Pt{110} (1×2): Reaction pathways for dehydrogenation

NASA Astrophysics Data System (ADS)

Anghel, A. T.; Wales, D. J.; Jenkins, S. J.; King, D. A.

2007-01-01

A complete reaction sequence for molecular dissociation at a surface has been characterized using density functional theory. The barriers for sequential ethane dehydrogenation on Pt{110} are found to fall into distinct energy sets: very low barriers, with values in the range of 0.29-0.42eV, for the initial ethane dissociation to ethene and ethylidene at the surface; medium barriers, in the range of 0.72-1.10eV, for dehydrogenation of C2H4 fragments to vinylidene and ethyne; and high barriers, requiring more than 1.45eV, for further dehydrogenation. For dissociation processes where more than one pathway has been found, the lowest energetic route links the most stable reactant adsorbed state at the surface to a product state involving the hydrocarbon moiety adsorbed in its most stable configuration at the surface. Hence there is a clear link between surface stability and kinetics for these species.

Isotopic tracing for calculating the surface density of arginine-glycine-aspartic acid-containing peptide on allogeneic bone.

PubMed

Hou, Xiao-bin; Hu, Yong-cheng; He, Jin-quan

2013-02-01

To investigate the feasibility of determining the surface density of arginine-glycine-aspartic acid (RGD) peptides grafted onto allogeneic bone by an isotopic tracing method involving labeling these peptides with (125) I, evaluating the impact of the input concentration of RGD peptides on surface density and establishing the correlation between surface density and their input concentration. A synthetic RGD-containing polypeptide (EPRGDNYR) was labeled with (125) I and its specific radioactivity calculated. Reactive solutions of RGD peptide with radioactive (125) I-RGD as probe with input concentrations of 0.01 mg/mL, 0.10 mg/mL, 0.50 mg/mL, 1.00 mg/mL, 2.00 mg/mL and 4.00 mg/mL were prepared. Using 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide as a cross-linking agent, reactions were induced by placing allogeneic bone fragments into reactive solutions of RGD peptide of different input concentrations. On completion of the reactions, the surface densities of RGD peptides grafted onto the allogeneic bone fragments were calculated by evaluating the radioactivity and surface areas of the bone fragments. The impact of input concentration of RGD peptides on surface density was measured and a curve constructed. Measurements by a radiodensity γ-counter showed that the RGD peptides had been labeled successfully with (125) I. The allogeneic bone fragments were radioactive after the reaction, demonstrating that the RGD peptides had been successfully grafted onto their surfaces. It was also found that with increasing input concentration, the surface density increased. It was concluded that the surface density of RGD peptides is quantitatively related to their input concentration. With increasing input concentration, the surface density gradually increases to saturation value. © 2013 Chinese Orthopaedic Association and Wiley Publishing Asia Pty Ltd.

Proton radiography measurements of ejecta structure in shocked Sn

NASA Astrophysics Data System (ADS)

Hammerberg, J. E.; Buttler, W. T.; Llobet, A.; Morris, C.

We have performed ejecta measurements at the Los Alamos proton radiography facility on 7 mm thick 50 mm diameter Sn samples driven with a PBX9501 high explosive. The surface of the Sn, in contact with He gas at an initial pressure of 7 atmospheres, was machined to have 3 concentric sinusoidal features with a wavelength of λ = 2mm in the radial direction and amplitude h0 = 0.159mm (kh0 = 2 πh0/ λ = 0.5). The shock pressure was 27 GPa. 28 images were obtained between 0 and 14 μs from the time of shock breakout at 500 ns intervals. The Abel inverted density profiles evolve to a self-similar density distribution that depends on a scaling variable z/vst where vs is the spike tip velocity, z is the distance from the free surface and t is the time after shock breakout. Both the density profiles and the time dependence of the mass per unit area in the evolving spikes are in good agreement with a Richtmyer-Meshkov instability based model for ejecta production and evolution. This work was performed under the auspices of the U.S. Dept. of Energy under contract DE-AC52-06NA25396. The support of the LANL ASC- PEM and Science Campaign 2 programs is gratefully acknowledged.

Mechanically adaptive intracortical implants improve the proximity of neuronal cell bodies

PubMed Central

Harris, J P; Capadona, J R; Miller, R H; Healy, B C; Shanmuganathan, K; Rowan, S J; Weder, C; Tyler, D J

2012-01-01

The hypothesis is that mechanical mismatch between brain tissue and microelectrodes influences the inflammatory response. Our unique, mechanically-adaptive polymer nanocomposite enabled this study within the cerebral cortex of rats. The initial tensile storage modulus of 5 GPa decreases to 12 MPa within 15 minutes under physiological conditions. The response to the nanocomposite was compared to surface-matched, stiffer implants of traditional wires (411 GPa) coated with the identical polymer substrate and implanted on the contralateral side. Both implants were tethered. Fluorescent immunohistochemistry labeling examined neurons, intermediate filaments, macrophages, microglia, and proteoglycans. We demonstrate, for the first time, a system that decouples the mechanical and surface chemistry components of the neural response. The neuronal nuclei density within 100 μm of the device at four weeks post implantation was greater for the compliant nanocomposite compared to the stiff wire. At eight weeks post implantation, the neuronal nuclei density around the nanocomposite was maintained, but the density around the wire recovered to match the nanocomposite. The glial scar response to the compliant nanocomposite was less vigorous than to the stiffer wire. The results suggest that mechanically associated factors such as proteoglycans and intermediate filaments are important modulators of the response of the compliant nanocomposite. PMID:22049097

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saperstein, E. E., E-mail: saper@mbslab.kiae.ru; Tolokonnikov, S. V.

Recent results obtained on the basis of the self-consistent theory of finite Fermi systems by employing the energy density functional proposed by Fayans and his coauthors are surveyed. These results are compared with the predictions of Skyrme–Hartree–Fock theory involving several popular versions of the Skyrme energy density functional. Spherical nuclei are predominantly considered. The charge radii of even and odd nuclei and features of low-lying 2{sup +} excitations in semimagic nuclei are discussed briefly. The single-particle energies ofmagic nuclei are examined inmore detail with allowance for corrections to mean-field theory that are induced by particle coupling to low-lying collective surfacemore » excitations (phonons). The importance of taking into account, in this problem, nonpole (tadpole) diagrams, which are usually disregarded, is emphasized. The spectroscopic factors of magic and semimagic nuclei are also considered. In this problem, only the surface term stemming from the energy dependence induced in the mass operator by the exchange of surface phonons is usually taken into account. The volume contribution associated with the energy dependence initially present in the mass operator within the self-consistent theory of finite Fermi systems because of the exchange of high-lying particle–hole excitations is also included in the spectroscopic factor. The results of the first studies that employed the Fayans energy density functional for deformed nuclei are also presented.« less

Aluminum manganese oxides with mixed crystal structure: high-energy-density cathodes for rechargeable sodium batteries.

PubMed

Han, Dong-Wook; Ku, Jun-Hwan; Kim, Ryoung-Hee; Yun, Dong-Jin; Lee, Seok-Soo; Doo, Seok-Gwang

2014-07-01

We report a new discovery for enhancing the energy density of manganese oxide (Nax MnO2 ) cathode materials for sodium rechargeable batteries by incorporation of aluminum. The Al incorporation results in NaAl(0.1) Mn(0.9) O2 with a mixture of tunnel and layered crystal structures. NaAl(0.1) Mn(0.9) O2 shows a much higher initial discharge capacity and superior cycling performance compared to pristine Na(0.65) MnO2 . We ascribe this enhancement in performance to the formation of a new orthorhombic layered NaMnO2 phase merged with a small amount of tunnel Na(0.44) MnO2 phase in NaAl(0.1) Mn(0.9) O2 , and to improvements in the surface stability of the NaAl(0.1) Mn(0.9) O2 particles caused by the formation of Al-O bonds on their surfaces. Our findings regarding the phase transformation and structure stabilization induced by incorporation of aluminum, closely related to the structural analogy between orthorhombic Na(0.44) MnO2 and NaAl(0.1) Mn(0.9) O2 , suggest a strategy for achieving sodium rechargeable batteries with high energy density and stability. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

2016-12-01

We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2-22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the system about 700-900 K are optimal parameters for production of high-quality layers of copper on the aluminum surface. These conditions provide both a good adhesion and a less degree of the plastic deformation. At the same time, higher impact velocities can be used for combined treatment consisting of both the plastic deformation and the coating.

Software Development for a Three-Dimensional Gravity Inversion and Application to Study of the Border Ranges Fault System, South-Central Alaska

NASA Astrophysics Data System (ADS)

Cardenas, R.; Doser, D. I.; Baker, M. R.

2011-12-01

Summary The Border Ranges Fault (BRFS) system bounds the Cook Inlet and Susitna Basins, an important petroleum province within south-central Alaska. An initial research goal is to test several plausible models of structure along the Border Ranges Fault System by developing a novel, 3D inversion software package. The inversion utilizes gravity data constrained with geophysical, borehole, and surface geological information. The novel inversion approach involves directly modeling known geology, initially free-air corrected data, and revising a priori uncertainties on the geologic model to allow comparisons to alternative interpretations. This technique to evaluate 3D structure in regions of highly complex geology can be applied in other studies of energy resources. The software reads an ASCII text file containing the latitude, longitude, elevation, and Free Air anomalies of each gravity station as well as gridded surface files of known topology. The contributions of each node in the grid are computed in order to compare the theoretical gravity calculations from a forward model to the gravity observations. The computation of solutions to the "linearized" inversion yields a range of plausible densities. The user will have the option of varying body proportions and dimensions to compare variations in density for changing depths of the gridded surface. Introduction Previous modeling of the BRFS using geophysical data has been limited due to the complexity of local geology and structure, both of shallow crustal features and the deeper subduction zone. Since the inversion is based on a sequence of gridded surfaces, it is feasible to develop software to help build these gridded geologic models. Without a way to modify grid surface elevations, density, and magnetic susceptibility in real time, the inversion process for the geologist would be highly nonlinear and poorly constrained, especially in structural geology this complex. Without a basic understanding of the geometry of the BRFS, its role in the formation and petroleum generation processes of the upper Cook Inlet and Susitna Basins is poorly understood. Model Generation The gravitational contributions are computed using a geophysics formulation, namely the vertical line element. g = πR2Gρ(x2+y2+z2)-1/2 Each line element is semi-infinite and extends from the top to the bottom of each structural layer. The user may define a three-dimensional body at a location on the surface. Each vertex of the body will be represented as separate nodes in the grid. The contribution of the body to the gravity value will be computed as a volume integral and added to the overall gravity contributions of other nodes on the surface. The user will also be able to modify the elevation and density of the defined body in real time. The most noted effectiveness of the software is in the user-defined a priori information facilitating real time interpretations and the computational efficiency of the model solution by using vertical line elements to address structural bodies with complex geometry.

Quantification of surface charge density and its effect on boundary slip.

PubMed

Jing, Dalei; Bhushan, Bharat

2013-06-11

Reduction of fluid drag is important in the micro-/nanofluidic systems. Surface charge and boundary slip can affect the fluid drag, and surface charge is also believed to affect boundary slip. The quantification of surface charge and boundary slip at a solid-liquid interface has been widely studied, but there is a lack of understanding of the effect of surface charge on boundary slip. In this paper, the surface charge density of borosilicate glass and octadecyltrichlorosilane (OTS) surfaces immersed in saline solutions with two ionic concentrations and deionized (DI) water with different pH values and electric field values is quantified by fitting experimental atomic force microscopy (AFM) electrostatic force data using a theoretical model relating the surface charge density and electrostatic force. Results show that pH and electric field can affect the surface charge density of glass and OTS surfaces immersed in saline solutions and DI water. The mechanisms of the effect of pH and electric field on the surface charge density are discussed. The slip length of the OTS surface immersed in saline solutions with two ionic concentrations and DI water with different pH values and electric field values is measured, and their effects on the slip length are analyzed from the point of surface charge. Results show that a larger absolute value of surface charge density leads to a smaller slip length for the OTS surface.

Cracking evolution behaviors of lightweight materials based on in situ synchrotron X-ray tomography: A review

NASA Astrophysics Data System (ADS)

Luo, Y.; Wu, S. C.; Hu, Y. N.; Fu, Y. N.

2018-03-01

Damage accumulation and failure behaviors are crucial concerns during the design and service of a critical component, leading researchers and engineers to thoroughly identifying the crack evolution. Third-generation synchrotron radiation X-ray computed microtomography can be used to detect the inner damage evolution of a large-density material or component. This paper provides a brief review of studying the crack initiation and propagation inside lightweight materials with advanced synchrotron three-dimensional (3D) X-ray imaging, such as aluminum materials. Various damage modes under both static and dynamic loading are elucidated for pure aluminum, aluminum alloy matrix, aluminum alloy metal matrix composite, and aluminum alloy welded joint. For aluminum alloy matrix, metallurgical defects (porosity, void, inclusion, precipitate, etc.) or artificial defects (notch, scratch, pit, etc.) strongly affect the crack initiation and propagation. For aluminum alloy metal matrix composites, the fracture occurs either from the particle debonding or voids at the particle/matrix interface, and the void evolution is closely related with fatigued cycles. For the hybrid laser welded aluminum alloy, fatigue cracks usually initiate from gas pores located at the surface or sub-surface and gradually propagate to a quarter ellipse or a typical semi-ellipse profile.

Tailored Mesoporous Silicas: From Confinement Effects to Catalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buchanan III, A C; Kidder, Michelle

2010-01-01

Ordered mesoporous silicas continue to find widespread use as supports for diverse applications such as catalysis, separations, and sensors. They provide a versatile platform for these studies because of their high surface area and the ability to control pore size, topology, and surface properties over wide ranges. Furthermore, there is a diverse array of synthetic methodologies for tailoring the pore surface with organic, organometallic, and inorganic functional groups. In this paper, we will discuss two examples of tailored mesoporous silicas and the resultant impact on chemical reactivity. First, we explore the impact of pore confinement on the thermochemical reactivity ofmore » phenethyl phenyl ether (PhCH2CH2OPh, PPE), which is a model of the dominant {beta}-aryl ether linkage present in lignin derived from woody biomass. The influence of PPE surface immobilization, grafting density, silica pore diameter, and presence of a second surface-grafted inert 'spacer' molecule on the product selectivity has been examined. We will show that the product selectivity can be substantially altered compared with the inherent gas-phase selectivity. Second, we have recently initiated an investigation of mesoporous silica supported, heterobimetallic oxide materials for photocatalytic conversion of carbon dioxide. Through surface organometallic chemistry, isolated M-O-M species can be generated on mesoporous silicas that, upon irradiation, form metal to metal charge transfer bands capable of converting CO{sub 2} into CO. Initial results from studies of Ti(IV)-O-Sn(II) on SBA-15 will be presented.« less

Influence of Laser Shock Texturing on W9 Steel Surface Friction Property

NASA Astrophysics Data System (ADS)

Fan, Yujie; Cui, Pengfei; Zhou, Jianzhong; Dai, Yibin; Guo, Erbin; Tang, Deye

2017-09-01

To improve surface friction property of high speed steel, micro-dent arrays on W9Mo3Cr4V surface were produced by laser shock processing. Friction test was conducted on smooth surface and texturing surface and effect of surface texturing density on friction property was studied. The results show that, under the same condition, friction coefficient of textured surface is lower than smooth surface with dent area density less than 6%, wear mass loss, width and depth of wear scar are smaller; Wear resistance of the surface is the best and the friction coefficient is the smallest when dent area density is 2.2%; Friction coefficient, wear mass loss, width and depth of wear scar increase correspondingly as density of dent area increases when dent area density is more than 2.2%. Abrasive wear and adhesive wear, oxidative wear appear in the wear process. Reasonable control of geometric parameters of surface texturing induced by laser shock processing is helpful to improve friction performance.

Field-calibrated model of melt, refreezing, and runoff for polar ice caps: Application to Devon Ice Cap

NASA Astrophysics Data System (ADS)

Morris, Richard M.; Mair, Douglas W. F.; Nienow, Peter W.; Bell, Christina; Burgess, David O.; Wright, Andrew P.

2014-09-01

Understanding the controls on the amount of surface meltwater that refreezes, rather than becoming runoff, over polar ice masses is necessary for modeling their surface mass balance and ultimately for predicting their future contributions to global sea level change. We present a modified version of a physically based model that includes an energy balance routine and explicit calculation of near-surface meltwater refreezing capacity, to simulate the evolution of near-surface density and temperature profiles across Devon Ice Cap in Arctic Canada. Uniquely, our model is initiated and calibrated using high spatial resolution measurements of snow and firn densities across almost the entire elevation range of the ice cap for the summer of 2004 and subsequently validated with the same type of measurements obtained during the very different meteorological conditions of summer 2006. The model captures the spatial variability across the transect in bulk snowpack properties although it slightly underestimates the flow of meltwater into the firn of previous years. The percentage of meltwater that becomes runoff is similar in both years; however, the spatial pattern of this melt-runoff relationship is different in the 2 years. The model is found to be insensitive to variation in the depth of impermeable layers within the firn but is very sensitive to variation in air temperature, since the refreezing capacity of firn decreases with increasing temperature. We highlight that the sensitivity of the ice cap's surface mass balance to air temperature is itself dependent on air temperature.

Surface sensitization mechanism on negative electron affinity p-GaN nanowires

NASA Astrophysics Data System (ADS)

Diao, Yu; Liu, Lei; Xia, Sihao; Feng, Shu; Lu, Feifei

2018-03-01

The surface sensitization is the key to prepare negative electron affinity photocathode. The thesis emphasizes on the study of surface sensitization mechanism of p-type doping GaN nanowires utilizing first principles based on density function theory. The adsorption energy, work function, dipole moment, geometry structure, electronic structure and optical properties of Mg-doped GaN nanowires surfaces with various coverages of Cs atoms are investigated. The GaN nanowire with Mg doped in core position is taken as the sensitization base. At the initial stage of sensitization, the best adsorption site for Cs atom on GaN nanowire surface is BN, the bridge site of two adjacent N atoms. Surface sensitization generates a p-type internal surface with an n-type surface state, introducing a band bending region which can help reduce surface barrier and work function. With increasing Cs coverage, work functions decrease monotonously and the "Cs-kill" phenomenon disappears. For Cs coverage of 0.75 ML and 1 ML, the corresponding sensitization systems reach negative electron affinity state. Through surface sensitization, the absorption curves are red shifted and the absorption coefficient is cut down. All theoretical calculations can guide the design of negative electron affinity Mg doped GaN nanowires photocathode.

Protein quantification on dendrimer-activated surfaces by using time-of-flight secondary ion mass spectrometry and principal component regression

NASA Astrophysics Data System (ADS)

Kim, Young-Pil; Hong, Mi-Young; Shon, Hyun Kyong; Chegal, Won; Cho, Hyun Mo; Moon, Dae Won; Kim, Hak-Sung; Lee, Tae Geol

2008-12-01

Interaction between streptavidin and biotin on poly(amidoamine) (PAMAM) dendrimer-activated surfaces and on self-assembled monolayers (SAMs) was quantitatively studied by using time-of-flight secondary ion mass spectrometry (ToF-SIMS). The surface protein density was systematically varied as a function of protein concentration and independently quantified using the ellipsometry technique. Principal component analysis (PCA) and principal component regression (PCR) were used to identify a correlation between the intensities of the secondary ion peaks and the surface protein densities. From the ToF-SIMS and ellipsometry results, a good linear correlation of protein density was found. Our study shows that surface protein densities are higher on dendrimer-activated surfaces than on SAMs surfaces due to the spherical property of the dendrimer, and that these surface protein densities can be easily quantified with high sensitivity in a label-free manner by ToF-SIMS.

Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy

PubMed Central

Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

2016-01-01

Local surface charge density of lipid membranes influences membrane–protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity of QSCM by mapping the surface charge density of model cationic, anionic and zwitterionic lipids with results accurately matching theoretical values. PMID:27561322

Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy

NASA Astrophysics Data System (ADS)

Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

2016-08-01

Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity of QSCM by mapping the surface charge density of model cationic, anionic and zwitterionic lipids with results accurately matching theoretical values.

Mapping surface charge density of lipid bilayers by quantitative surface conductivity microscopy.

PubMed

Klausen, Lasse Hyldgaard; Fuhs, Thomas; Dong, Mingdong

2016-08-26

Local surface charge density of lipid membranes influences membrane-protein interactions leading to distinct functions in all living cells, and it is a vital parameter in understanding membrane-binding mechanisms, liposome design and drug delivery. Despite the significance, no method has so far been capable of mapping surface charge densities under physiologically relevant conditions. Here, we use a scanning nanopipette setup (scanning ion-conductance microscope) combined with a novel algorithm to investigate the surface conductivity near supported lipid bilayers, and we present a new approach, quantitative surface conductivity microscopy (QSCM), capable of mapping surface charge density with high-quantitative precision and nanoscale resolution. The method is validated through an extensive theoretical analysis of the ionic current at the nanopipette tip, and we demonstrate the capacity of QSCM by mapping the surface charge density of model cationic, anionic and zwitterionic lipids with results accurately matching theoretical values.

Experimental Investigations on Microshock Waves and Contact Surfaces

NASA Astrophysics Data System (ADS)

Kai, Yun; Garen, Walter; Teubner, Ulrich

2018-02-01

The present work reports on progress in the research of a microshock wave. Because of the lack of a good understanding of the propagation mechanism of the microshock flow system (shock wave, contact surface, and boundary layer), the current work concentrates on measuring microshock flows with special attention paid to the contact surface. A novel setup involving a glass capillary (with a 200 or 300 μ m hydraulic diameter D ) and a high-speed magnetic valve is applied to generate a shock wave with a maximum initial Mach number of 1.3. The current work applies a laser differential interferometer to perform noncontact measurements of the microshock flow's trajectory, velocity, and density. The current work presents microscale measurements of the shock-contact distance L that solves the problem of calculating the scaling factor Sc =Re ×D /(4 L ) (introduced by Brouillette), which is a parameter characterizing the scaling effects of shock waves. The results show that in contrast to macroscopic shock waves, shock waves at the microscale have a different propagation or attenuation mechanism (key issue of this Letter) which cannot be described by the conventional "leaky piston" model. The main attenuation mechanism of microshock flow may be the ever slower moving contact surface, which drives the shock wave. Different from other measurements using pressure transducers, the current setup for density measurements resolves the whole microshock flow system.

Mars surface based factory. Phase 2, task 1C: Computer control of a water treatment system to support a space colony on Mars

NASA Technical Reports Server (NTRS)

Fuller, John; Ali, Warsame; Willis, Danette

1989-01-01

In a continued effort to design a surface based factory on Mars for the production of oxygen and water, a preliminary study was made of the surface and atmospheric composition on Mars and determined the mass densities of the various gases in the Martian atmosphere. Based on the initial studies, oxygen and water were determined to be the two products that could be produced economically under the Martian conditions. Studies were also made on present production techniques to obtain water and oxygen. Analyses were made to evaluate the current methods of production that were adaptable to the Martian conditions. Even though the initial effort was the production of oxygen and water, it was found necessary to produce some diluted gases that can be mixed with the oxygen produced to constitute 'breathable' air. The conceptual design of a breathable air manufacturing system, a means of drilling for underground water, and storage of water for future use were completed. The design objective was the conceptual design of an integrated system for the supply of quality water for biological consumption, farming, residential and industrial use.

Exact Analytic Solution for a Ballistic Orbiting Wind

NASA Astrophysics Data System (ADS)

Wilkin, Francis P.; Hausner, Harry

2017-07-01

Much theoretical and observational work has been done on stellar winds within binary systems. We present a new solution for a ballistic wind launched from a source in a circular orbit. The solution is that of a single wind—no second wind is included in the system and the shocks that arise are those due to the orbiting wind interacting with itself. Our method emphasizes the curved streamlines in the corotating frame, where the flow is steady-state, allowing us to obtain an exact solution for the mass density at all pre-shock locations. Assuming an initially isotropic wind, fluid elements launched from the interior hemisphere of the wind will be the first to cross other streamlines, resulting in a spiral structure bounded by two shock surfaces. Streamlines from the outer wind hemisphere later intersect these shocks as well. An analytic solution is obtained for the geometry of the two shock surfaces. Although the inner and outer shock surfaces asymptotically trace Archimedean spirals, our tail solution suggests many crossings where the shocks overlap, beyond which the analytic solution cannot be continued. Our solution can be readily extended to an initially anisotropic wind.

Parabens abatement from surface waters by electrochemical advanced oxidation with boron doped diamond anodes.

PubMed

Domínguez, Joaquín R; Muñoz-Peña, Maria J; González, Teresa; Palo, Patricia; Cuerda-Correa, Eduardo M

2016-10-01

The removal efficiency of four commonly-used parabens by electrochemical advanced oxidation with boron-doped diamond anodes in two different aqueous matrices, namely ultrapure water and surface water from the Guadiana River, has been analyzed. Response surface methodology and a factorial, composite, central, orthogonal, and rotatable (FCCOR) statistical design of experiments have been used to optimize the process. The experimental results clearly show that the initial concentration of pollutants is the factor that influences the removal efficiency in a more remarkable manner in both aqueous matrices. As a rule, as the initial concentration of parabens increases, the removal efficiency decreases. The current density also affects the removal efficiency in a statistically significant manner in both aqueous matrices. In the water river aqueous matrix, a noticeable synergistic effect on the removal efficiency has been observed, probably due to the presence of chloride ions that increase the conductivity of the solution and contribute to the generation of strong secondary oxidant species such as chlorine or HClO/ClO - . The use of a statistical design of experiments made it possible to determine the optimal conditions necessary to achieve total removal of the four parabens in ultrapure and river water aqueous matrices.

Near-surface density profiling of Fe ion irradiated Si (100) using extremely asymmetric x-ray diffraction by variation of the wavelength

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khanbabaee, B., E-mail: khanbabaee@physik.uni-siegen.de; Pietsch, U.; Facsko, S.

2014-10-20

In this work, we report on correlations between surface density variations and ion parameters during ion beam-induced surface patterning process. The near-surface density variations of irradiated Si(100) surfaces were investigated after off-normal irradiation with 5 keV Fe ions at different fluences. In order to reduce the x-ray probing depth to a thickness below 5 nm, the extremely asymmetrical x-ray diffraction by variation of wavelength was applied, exploiting x-ray refraction at the air-sample interface. Depth profiling was achieved by measuring x-ray rocking curves as function of varying wavelengths providing incidence angles down to 0°. The density variation was extracted from the deviationsmore » from kinematical Bragg angle at grazing incidence angles due to refraction of the x-ray beam at the air-sample interface. The simulations based on the dynamical theory of x-ray diffraction revealed that while a net near-surface density decreases with increasing ion fluence which is accompanied by surface patterning, there is a certain threshold of ion fluence to surface density modulation. Our finding suggests that the surface density variation can be relevant with the mechanism of pattern formation.« less

Effects of density on growth, metamorphosis, and survivorship in tadpoles of Scaphiopus holbrooki

DOE Office of Scientific and Technical Information (OSTI.GOV)

Semlitsch, R.D.; Caldwell, J.P.

1982-08-01

Density-dependent aspects of growth, metamorphosis, and survivorship of Scaphiopus holbrooki tadpoles were examined in the laboratory under two experimental regimes. In the first density experiment, the growth index (W) of tadpoles decreased exponentially with density. Mean growth rate varied from 0.023 mL/d at the lowest density to 0.006 mL/d at the highest density. The mean number of days to metamorphic climax was positively associated with the initial density treatment: 27 d at the lowest density to 86 d at the highest density. The body size of tadpoles at metamorphosis showed a concave curvilinear relationship to initial density, indicating tadpoles atmore » the highest densities are apparently capable to growth recovery once released from density stress. The survival of tadpoles decreased exponentially with initial density, from 90% at the lowest density to 20% at the highest initial density. In the second experiment a cross-classified design was used to examine the effects of density and duration of treatment (time) on growth and metamorphosis. Density and time had significant effects on body size at metamorphosis and days to metamorphosis. There was no significant interaction between density and time. These results indicate that the inhibitory effect of density stress varies with the duration of the stress. Scaphiopus holbrooki tadpoles exhibit developmental traits (rapid growth, short larval period, small body size at metamorphosis) that should be favored by natural selection in high density habitats. Dispersability may be a mechanism whereby S. holbrooki can minimize the detrimental effects of density stress.« less

The influence of vegetation cover on debris-flow density during an extreme rainfall in the northern Colorado Front Range

USGS Publications Warehouse

Rengers, Francis K.; McGuire, Luke; Coe, Jeffrey A.; Kean, Jason W.; Baum, Rex L.; Staley, Dennis M.; Godt, Jonathan W.

2016-01-01

We explored regional influences on debris-flow initiation throughout the Colorado Front Range (Colorado, USA) by exploiting a unique data set of more than 1100 debris flows that initiated during a 5 day rainstorm in 2013. Using geospatial data, we examined the influence of rain, hillslope angle, hillslope aspect, and vegetation density on debris-flow initiation. In particular we used a greenness index to differentiate areas of high tree density from grass and bare soil. The data demonstrated an overwhelming propensity for debris-flow initiation on south-facing hillslopes. However, when the debris-flow density was analyzed with respect to total rainfall and greenness we found that most debris flows occurred in areas of high rainfall and low tree density, regardless of hillslope aspect. These results indicate that present-day tree density exerts a stronger influence on debris-flow initiation locations than aspect-driven variations in soil and bedrock properties that developed over longer time scales.

OH-initiated transformation and hydrolysis of aspirin in AOPs system: DFT and experimental studies.

PubMed

He, Lin; Sun, Xiaomin; Zhu, Fanping; Ren, Shaojie; Wang, Shuguang

2017-08-15

Advanced oxidation processes (AOPs) are widely used in wastewater treatment of pharmaceutical and personal care products (PPCPs). In this work, the OH-initiated transformation as well as the hydrolysis of a typical PPCPs, aspirin, was investigated using density functional theory (DFT) calculations and laboratory experiments. For DFT calculations, the frontier electron densities and bond dissociation energies were analyzed. Profiles of the potential energy surface were constructed, and all the possible pathways were discussed. Additionally, rate constants for each pathway were calculated with transition state theory (TST) method. UV/H 2 O 2 experiments of aspirin were performed and degradation intermediates were identified by UPLC-MS-MS analysis. Different findings from previous experimental works were reported that the H-abstraction pathways at methyl position were dominated and OH-addition pathways on benzene ring were also favored. Meantime, hydroxyl ASA was confirmed as the main stable intermediate. Moreover, it was the first time to use DFT method to investigate the hydrolysis mechanisms of organic ester compound. Copyright © 2017 Elsevier B.V. All rights reserved.

Density functional theory study of HfCl4, ZrCl4, and Al(CH3)3 decomposition on hydroxylated SiO2: Initial stage of high-k atomic layer deposition

NASA Astrophysics Data System (ADS)

Jeloaica, L.; Estève, A.; Djafari Rouhani, M.; Estève, D.

2003-07-01

The initial stage of atomic layer deposition of HfO2, ZrO2, and Al2O3 high-k films, i.e., the decomposition of HfCl4, ZrCl4, and Al(CH3)3 precursor molecules on an OH-terminated SiO2 surface, is investigated within density functional theory. The energy barriers are determined using artificial activation of vibrational normal modes. For all precursors, reaction proceeds through the formation of intermediate complexes that have equivalent formation energies (˜-0.45 eV), and results in HCl and CH4 formation with activation energies of 0.88, 0.91, and 1.04 eV for Hf, Zr, and Al based precursors, respectively. The reaction product of Al(CH3)3 decomposition is found to be more stable (by -1.45 eV) than the chemisorbed intermediate complex compared to the endothermic decomposition of HfCl4 and ZrCl4 chemisorbed precursors (0.26 and 0.29 eV, respectively).

Enhancement of simultaneous gold and copper recovery from discarded mobile phone PCBs using Bacillus megaterium: RSM based optimization of effective factors and evaluation of their interactions.

PubMed

Arshadi, M; Mousavi, S M; Rasoulnia, P

2016-11-01

Bioleaching of Au from mobile phone printed circuit boards (MPPCBs) was studied, using Bacillus megaterium which is a cyanogenic bacterium. To maximize Au extraction, initial pH, pulp density, and glycine concentration were optimized via response surface methodology (RSM). Bioleaching of Cu, an important inhibitor on Au recovery, was also examined. To maximize Au recovery, the optimal condition suggested by the models was initial pH of 10, pulp density of 8.13g/l, and glycine concentration of 10g/l. Under the optimal condition, approximately 72% of Cu and 65g Au/ton MPPCBs, which is 7 times greater than the recovery from gold mines, was extracted. Cu elimination from the MPPCBs having a rich content of Au did not cause a significant effect on Au recovery. It was found that when the ratio of Cu to Au is high, Cu elimination can considerably improve Au recovery. B. megaterium could extract the total Au from PCBs containing 130g Au/ton MPPCBs. Copyright © 2016 Elsevier Ltd. All rights reserved.

Engineered microtopographies and surface chemistries direct cell attachment and function

NASA Astrophysics Data System (ADS)

Magin, Chelsea Marie

Harrison, in 1914, first recognized that cells respond to physicochemical cues such as substratum topography when he observed that fibroblasts elongated while cultured on spider silk. Recently, techniques developed in the micro-electronics industry have been used to create molds for producing microscaled topographies with various shapes and spatial arrangements. Although these patterning techniques are well-established, very little is known about the mechanisms underlying cell sensing and response to microtopographies. In this work cellular micro-environments with varying surface topographies and chemistries were evaluated with marine organisms and mammalian cells to investigate cellular sensing and response. Biofouling---the accumulation of micro-organisms, plants, and animals on submerged surfaces---is an environmental and economic concern. Engineered topographies, replicated in polydimethylsiloxane elastomer (PDMSe) and functionalized poly(ethylene glycol)-dimethacrylate (PEGDMA) hydrogels, were evaluated for inhibition of marine fouling organism attachment. Microtopographies replicated in PDMSe inhibited attachment of the marine bacterium, Cobetia marina up to 99% versus smooth. The average normalized attachment densities of cells of C. marina and zoospores of the green algae Ulva on PDMSe topographies scaled inversely with the Engineered Roughness Index (ERIII), a representation of surface energy. Attachment densities of Ulva from four assays and C. marina from two growth phases to PDMSe surfaces scaled inversely with one equation: ERI II multiplied by the Reynolds number of the organism (Re) (R 2 = 0.77). The same microtopographies created in PDMSe reduced the initial attachment density and attachment strength of cells of the diatoms Navicula incerta and Seminavis robusta compared to smooth PDMSe. The average normalized attachment density of Navicula after exposure to shear stress (48 Pa) was correlated with the contact area between the diatom and a topographically modified surface (R2=0.82). Functionalized PEGDMA hydrogels significantly reduced attachment and attachment strength of Navicula and C. marina. These hydrogels also reduced attachment of zoospores of Ulva compared to PDMSe. Attachment of Ulva to microtopographies in PDMSe and PEGDMA-co-HEMA negatively correlated with ERIII*Re (R2 = 0.94 and R2 = 0.99, respectively). Incorporating a surface energy term into this equation created a correlation between the attachment densities of cells from two evolutionarily diverse groups on substrates of two surface chemistries with an equation that describes the various microtopographies and surface chemistries in terms of surface energy (R2 = 0.80). The current Attachment Model can now be used to design engineered antifouling surface microtopographies and chemistries that inhibit the attachment of organisms from three evoluntionarily diverse groups. Hydrogels based on PEGDMA were also chosen as a substratum material for mammalian cell culture. Capturing endothelial progenitor cells (EPCs) and inducing differentiation into the endothelial cell (EC) phenotype is the ideal way to re-endothelialize a small-diameter vascular graft. Substratum elasticity has been reported to direct stem cell differentiation into specific lineages. Functionalized PEGDMA hydrogels provided good compliance, high fidelity of topographic features and sites for surface modification with biomolecules. Fibronectin grafting and topography both increased EC attachment. This combination of adjustable elasticity, surface chemistry and topography has the potential to promote the capture and differentiation of EPCs into a confluent EC monolayer. Engineered microtopographies replicated in PDMSe directed elongation and alignment of human coronary artery endothelial cells (HCAECs) and human coronary artery smooth muscle cells (HCASMCs) compared to smooth surfaces. Engineered cellular micro-environments were created with specific surface energies defined by chemistry and topography to successfully direct cell attachment and function.

Air-sea fluxes and satellite-based estimation of water masses formation

NASA Astrophysics Data System (ADS)

Sabia, Roberto; Klockmann, Marlene; Fernandez-Prieto, Diego; Donlon, Craig

2015-04-01

Recent work linking satellite-based measurements of sea surface salinity (SSS) and sea surface temperature (SST) with traditional physical oceanography has demonstrated the capability of generating routinely satellite-derived surface T-S diagrams [1] and analyze the distribution/dynamics of SSS and its relative surface density with respect to in-situ measurements. Even more recently [2,3], this framework has been extended by exploiting these T-S diagrams as a diagnostic tool to derive water masses formation rates and areas. A water mass describes a water body with physical properties distinct from the surrounding water, formed at the ocean surface under specific conditions which determine its temperature and salinity. The SST and SSS (and thus also density) at the ocean surface are largely determined by fluxes of heat and freshwater. The surface density flux is a function of the latter two and describes the change of the density of seawater at the surface. To obtain observations of water mass formation is of great interest, since they serve as indirect observations of the thermo-haline circulation. The SSS data which has become available through the SMOS [4] and Aquarius [5] satellite missions will provide the possibility of studying also the effect of temporally-varying SSS fields on water mass formation. In the present study, the formation of water masses as a function of SST and SSS is derived from the surface density flux by integrating the latter over a specific area and time period in bins of SST and SSS and then taking the derivative of the total density flux with respect to density. This study presents a test case using SMOS SSS, OSTIA SST, as well as Argo ISAS SST and SSS for comparison, heat fluxes from the NOCS Surface Flux Data Set v2.0, OAFlux evaporation and CMORPH precipitation. The study area, initially referred to the North Atlantic, is extended over two additional ocean basins and the study period covers the 2011-2012 timeframe. Yearly, seasonal and monthly water mass formation rates for different SST and SSS ranges are presented. The formation peaks are remapped geographically, to analyze the extent of the formation area. Water mass formation derived from SMOS and OSTIA compares well with the results obtained from in-situ data, although slight differences in magnitude and peak location occur. Known water masses can then be identified. Ongoing/future work aims at extending this study along different avenues by: 1) expand systematically the spatial and temporal domain of the study to additional ocean basins and to the entire time period of available SSS observations from SMOS/Aquarius; 2) perform a thorough error propagation to assess how errors in satellite SSS and SST translate into errors in water masses formation rates and geographical areas extent; and 3) explore the different options to connect the surface information to the vertical buoyancy structure to assess potential density instability (e.g., Turner angle). References [1] Sabia, R., M. Klockmann, D. Fernández-Prieto, and C. Donlon (2014), A first estimation of SMOS-based ocean surface T-S diagrams, J. Geophys. Res. Oceans, 119, 7357-7371, doi:10.1002/2014JC010120. [2] Klockmann, M., R. Sabia, D. Fernández-Prieto, C. Donlon, J. Font; Towards an estimation of water masses formation areas from SMOS-based T-S diagrams; EGU general assembly 2014, April 27-May 2, 2014. [3] Klockmann, M., R. Sabia, D. Fernández-Prieto, C. Donlon, Linking satellite SSS and SST to water mass formation; Ocean salinity science and salinity remote sensing workshop, Exeter, UK, November 26-28, 2014. [4] Font, J., A. Camps, A. Borges, M. Martín-Neira, J. Boutin, N. Reul, Y. H. Kerr, A. Hahne, and S. Mecklenburg, "SMOS: The challenging sea surface salinity measurement from space," Proceedings of the IEEE, vol. 98, pp. 649-665, 2010. [5] Le Vine, D.M.; Lagerloef, G.S.E.; Torrusio, S.E.; "Aquarius and Remote Sensing of Sea Surface Salinity from Space," Proceedings of the IEEE , vol.98, no.5, pp.688-703, May 2010, doi: 10.1109/JPROC.2010.2040550.

Regulating the surface poly(ethylene glycol) density of polymeric nanoparticles and evaluating its role in drug delivery in vivo.

PubMed

Du, Xiao-Jiao; Wang, Ji-Long; Liu, Wei-Wei; Yang, Jin-Xian; Sun, Chun-Yang; Sun, Rong; Li, Hong-Jun; Shen, Song; Luo, Ying-Li; Ye, Xiao-Dong; Zhu, Yan-Hua; Yang, Xian-Zhu; Wang, Jun

2015-11-01

Poly(ethylene glycol) (PEG) is usually used to protect nanoparticles from rapid clearance in blood. The effects are highly dependent on the surface PEG density of nanoparticles. However, there lacks a detailed and informative study in PEG density and in vivo drug delivery due to the critical techniques to precisely control the surface PEG density when maintaining other nano-properties. Here, we regulated the polymeric nanoparticles' size and surface PEG density by incorporating poly(ε-caprolactone) (PCL) homopolymer into poly(ethylene glycol)-block-poly(ε-caprolactone) (PEG-PCL) and adjusting the mass ratio of PCL to PEG-PCL during the nanoparticles preparation. We further developed a library of polymeric nanoparticles with different but controllable sizes and surface PEG densities by changing the molecular weight of the PCL block in PEG-PCL and tuning the molar ratio of repeating units of PCL (CL) to that of PEG (EG). We thus obtained a group of nanoparticles with variable surface PEG densities but with other nano-properties identical, and investigated the effects of surface PEG densities on the biological behaviors of nanoparticles in mice. We found that, high surface PEG density made the nanoparticles resistant to absorption of serum protein and uptake by macrophages, leading to a greater accumulation of nanoparticles in tumor tissue, which recuperated the defects of decreased internalization by tumor cells, resulting in superior antitumor efficacy when carrying docetaxel. Copyright © 2015 Elsevier Ltd. All rights reserved.

Possible Sea Ice Impacts on Oceanic Deep Convection

NASA Technical Reports Server (NTRS)

Parkinson, C. L.

1984-01-01

Many regions of the world ocean known or suspected to have deep convection are sea-ice covered for at least a portion of the annual cycle. As this suggests that sea ice might have some impact on generating or maintaining this phenomenon, several mechanisms by which sea ice could exert an influence are presented in the following paragraphs. Sea ice formation could be a direct causal factor in deep convection by providing the surface density increase necessary to initiate the convective overturning. As sea ice forms, either by ice accretion or by in situ ice formation in open water or in lead areas between ice floes, salt is rejected to the underlying water. This increases the water salinity, thereby increasing water density in the mixed layer under the ice. A sufficient increase in density will lead to mixing with deeper waters, and perhaps to deep convection or even bottom water formation. Observations are needed to establish whether this process is actually occurring; it is most likely in regions with extensive ice formation and a relatively unstable oceanic density structure.

Lateral Root Initiation in Arabidopsis: Developmental Window, Spatial Patterning, Density and Predictability

PubMed Central

DUBROVSKY, J. G.; GAMBETTA, G. A.; HERNÁNDEZ-BARRERA, A.; SHISHKOVA, S.; GONZÁLEZ, I.

2006-01-01

• Background and Aims The basic regulatory mechanisms that control lateral root (LR) initiation are still poorly understood. An attempt is made to characterize the pattern and timing of LR initiation, to define a developmental window in which LR initiation takes place and to address the question of whether LR initiation is predictable. • Methods The spatial patterning of LRs and LR primordia (LRPs) on cleared root preparations were characterized. New measures of LR and LRP densities (number of LRs and/or LRPs divided by the length of the root portions where they are present) were introduced and illustrate the shortcomings of the more customarily used measure through a comparative analysis of the mutant aux1-7. The enhancer trap line J0121 was used to monitor LR initiation in time-lapse experiments and a plasmolysis-based method was developed to determine the number of pericycle cells between successive LRPs. • Key Results LRP initiation occurred strictly acropetally and no de novo initiation events were found between already developed LRs or LRPs. However, LRPs did not become LRs in a similar pattern. The longitudinal spacing of lateral organs was variable and the distance between lateral organs was proportional to the number of cells and the time between initiations of successive LRPs. There was a strong tendency towards alternation in LR initiation between the two pericycle cell files adjacent to the protoxylem poles. LR density increased with time due to the emergence of slowly developing LRPs and appears to be unique for individual Arabidopsis accessions. • Conclusions. In Arabidopsis there is a narrow developmental window for LR initiation, and no specific cell-count or distance-measuring mechanisms have been found that determine the site of successive initiation events. Nevertheless, the branching density and lateral organ density (density of LRs and LRPs) are accession-specific, and based on the latter density the average distance between successive LRs can be predicted. PMID:16390845

Plasma Deactivation of Oral Bacteria Seeded on Hydroxyapatite Disks as Tooth Enamel Analogue

PubMed Central

Blumhagen, Adam; Singh, Prashant; Mustapha, Azlin; Chen, Meng; Wang, Yong; Yu, Qingsong

2014-01-01

Purpose To study the plasma treatment effects on deactivation of oral bacteria seeded on a tooth enamel analogue. Methods A non-thermal atmospheric pressure argon plasma brush was used to treat two different Gram-positive oral bacteria including Lactobacillus acidophilus (L. acidophilus) and Streptococcus mutans (S. mutans). The bacteria were seeded on hydroxyapatite (HA) disks used as tooth enamel analogue with three initial bacterial seeding concentrations: a low inoculum concentration between 2.1×108 and 2.4×108 cfu/mL, a medium inoculum concentration between 9.8×108 and 2.4×109 cfu/mL, and a high inoculum concentration between 1.7×1010 and 3.5×1010 cfu/mL. The bacterial survivability upon plasma exposure was examined in terms of plasma exposure time and oxygen addition into the plasmas. SEM was performed to examine bacterial morphological changes after plasma exposure. Results The experimental data indicated that 13 second plasma exposure time completely killed all the bacteria when initial bacterial seeding density on HA surfaces were less than 6.9×106 cfu/cm2 for L. acidophilus and 1.7×107 cfu/cm2 for S. mutans, which were resulted from low initial seeding inoculum concentration between 2.1×108 and 2.4×108 cfu/mL. Plasma exposure of the bacteria at higher initial bacterial seeding density obtained with high initial seeding inoculum concentration, however, only resulted in ~ 1.5 to 2 log reduction and ~ 2 to 2.5 log reduction for L. acidophilus and S. mutans, respectively. It was also noted that oxygen addition into the argon plasma brush did not affect the plasma deactivation effectiveness. SEM images showed that plasma deactivation mainly occurred with the top layer bacteria, while shadowing effects from the resulting bacterial debris reduced the plasma deactivation of the underlying bacteria. Clinical Significance The experimental results indicate that, with direct contact, nonthermal atmospheric pressure argon plasmas could rapidly and effectively deactivate oral bacteria seeded on HA surfaces and thus could be a promising technique in various dental clinical applications. PMID:25000666

Detonator Performance Characterization using Multi-Frame Laser Schlieren Imaging

NASA Astrophysics Data System (ADS)

Clarke, Steven; Landon, Colin; Murphy, Michael; Martinez, Michael; Mason, Thomas; Thomas, Keith

2009-06-01

Multi-frame Laser Schlieren Imaging of shock waves produced by detonators in transparent witness materials can be used to evaluate detonator performance. We use inverse calculations of the 2D propagation of shock waves in the EPIC finite element model computer code to calculate a temporal-spatial-pressure profile on the surface of the detonator that is consistent with the experimental shock waves from the schlieren imaging. Examples of calculated 2D temporal-spatial-pressure profiles from a range of detonator types (EFI --exploding foil initiators, DOI -- direct optical initiation, EBW -- exploding bridge wire, hotwire), detonator HE materials (PETN, HMX, etc), and HE densities. Also pressure interaction profiles from the interaction of multiple shock waves will be shown. LA-UR-09-00909.

Insect Residue Contamination on Wing Leading Edge Surfaces: A Materials Investigation for Mitigation

NASA Technical Reports Server (NTRS)

Lorenzi, Tyler M.; Wohl, Christopher J.; Penner, Ronald K.; Smith, Joseph G.; Siochi, Emilie J.

2011-01-01

Flight tests have shown that residue from insect strikes on aircraft wing leading edge surfaces may induce localized transition of laminar to turbulent flow. The highest density of insect populations have been observed between ground level and 153 m during light winds (2.6 -- 5.1 m/s), high humidity, and temperatures from 21 -- 29 C. At a critical residue height, dependent on the airfoil and Reynolds number, boundary layer transition from laminar to turbulent results in increased drag and fuel consumption. Although this represents a minimal increase in fuel burn for conventional transport aircraft, future aircraft designs will rely on maintaining laminar flow across a larger portion of wing surfaces to reduce fuel burn during cruise. Thus, insect residue adhesion mitigation is most critical during takeoff and initial climb to maintain laminar flow in fuel-efficient aircraft configurations. Several exterior treatments investigated to mitigate insect residue buildup (e.g., paper, scrapers, surfactants, flexible surfaces) have shown potential; however, implementation has proven to be impractical. Current research is focused on evaluation of wing leading edge surface coatings that may reduce insect residue adhesion. Initial work under NASA's Environmentally Responsible Aviation Program focused on evaluation of several commercially available products (commercial off-the-shelf, COTS), polymers, and substituted alkoxy silanes that were applied to aluminum (Al) substrates. Surface energies of these coatings were determined from contact angle data and were correlated to residual insect excrescence on coated aluminum substrates using a custom-built "bug gun." Quantification of insect excrescence surface coverage was evaluated by a series of digital photographic image processing techniques.

Helical variation of density profiles and fluctuations in the tokamak pedestal with applied 3D fields and implications for confinement

DOE PAGES

Wilcox, R. S.; Rhodes, T. L.; Shafer, M. W.; ...

2018-04-19

Smore » mall 3D perturbations to the magnetic field in DIII-D ( δ B / B ~ 2 × 10 - 4 ) result in large modulations of density fluctuation amplitudes in the pedestal, which are shown using Doppler backscattering measurements to vary by a factor of 2. Helical perturbations of equilibrium density within flux surfaces have previously been observed in the pedestal of DIII-D plasmas when 3D fields are applied and were correlated with density fluctuation asymmetries in the pedestal. These intra-surface density and pressure variations are shown through two fluid MHD modeling studies using the M3D-C1 code to be due to the misalignment of the density and temperature equilibrium iso-surfaces in the pedestal region. This modeling demonstrates that the phase shift between the two iso-surfaces corresponds to the diamagnetic direction of the two species, with the mass density surfaces shifted in the ion diamagnetic direction relative to the temperature and magnetic flux iso-surfaces. Finally, the resulting pedestal density, potential, and turbulence asymmetries within flux surfaces near the separatrix may be at least partially responsible for several poorly understood phenomena that occur with the application of 3D fields in tokamaks, including density pump out and the increase in power required to transition from L- to H-mode.« less

Helical variation of density profiles and fluctuations in the tokamak pedestal with applied 3D fields and implications for confinement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilcox, R. S.; Rhodes, T. L.; Shafer, M. W.

Smore » mall 3D perturbations to the magnetic field in DIII-D ( δ B / B ~ 2 × 10 - 4 ) result in large modulations of density fluctuation amplitudes in the pedestal, which are shown using Doppler backscattering measurements to vary by a factor of 2. Helical perturbations of equilibrium density within flux surfaces have previously been observed in the pedestal of DIII-D plasmas when 3D fields are applied and were correlated with density fluctuation asymmetries in the pedestal. These intra-surface density and pressure variations are shown through two fluid MHD modeling studies using the M3D-C1 code to be due to the misalignment of the density and temperature equilibrium iso-surfaces in the pedestal region. This modeling demonstrates that the phase shift between the two iso-surfaces corresponds to the diamagnetic direction of the two species, with the mass density surfaces shifted in the ion diamagnetic direction relative to the temperature and magnetic flux iso-surfaces. Finally, the resulting pedestal density, potential, and turbulence asymmetries within flux surfaces near the separatrix may be at least partially responsible for several poorly understood phenomena that occur with the application of 3D fields in tokamaks, including density pump out and the increase in power required to transition from L- to H-mode.« less

Helical variation of density profiles and fluctuations in the tokamak pedestal with applied 3D fields and implications for confinement

NASA Astrophysics Data System (ADS)

Wilcox, R. S.; Rhodes, T. L.; Shafer, M. W.; Sugiyama, L. E.; Ferraro, N. M.; Lyons, B. C.; McKee, G. R.; Paz-Soldan, C.; Wingen, A.; Zeng, L.

2018-05-01

Small 3D perturbations to the magnetic field in DIII-D ( δB /B ˜2 ×10-4 ) result in large modulations of density fluctuation amplitudes in the pedestal, which are shown using Doppler backscattering measurements to vary by a factor of 2. Helical perturbations of equilibrium density within flux surfaces have previously been observed in the pedestal of DIII-D plasmas when 3D fields are applied and were correlated with density fluctuation asymmetries in the pedestal. These intra-surface density and pressure variations are shown through two fluid MHD modeling studies using the M3D-C1 code to be due to the misalignment of the density and temperature equilibrium iso-surfaces in the pedestal region. This modeling demonstrates that the phase shift between the two iso-surfaces corresponds to the diamagnetic direction of the two species, with the mass density surfaces shifted in the ion diamagnetic direction relative to the temperature and magnetic flux iso-surfaces. The resulting pedestal density, potential, and turbulence asymmetries within flux surfaces near the separatrix may be at least partially responsible for several poorly understood phenomena that occur with the application of 3D fields in tokamaks, including density pump out and the increase in power required to transition from L- to H-mode.

Support for the existence of invertible maps between electronic densities and non-analytic 1-body external potentials in non-relativistic time-dependent quantum mechanics

NASA Astrophysics Data System (ADS)

Mosquera, Martín A.

2017-10-01

Provided the initial state, the Runge-Gross theorem establishes that the time-dependent (TD) external potential of a system of non-relativistic electrons determines uniquely their TD electronic density, and vice versa (up to a constant in the potential). This theorem requires the TD external potential and density to be Taylor-expandable around the initial time of the propagation. This paper presents an extension without this restriction. Given the initial state of the system and evolution of the density due to some TD scalar potential, we show that a perturbative (not necessarily weak) TD potential that induces a non-zero divergence of the external force-density, inside a small spatial subset and immediately after the initial propagation time, will cause a change in the density within that subset, implying that the TD potential uniquely determines the TD density. In this proof, we assume unitary evolution of wavefunctions and first-order differentiability (which does not imply analyticity) in time of the internal and external force-densities, electronic density, current density, and their spatial derivatives over the small spatial subset and short time interval.

Dependence of optimal initial density on laser parameters for multi-keV x-ray radiators generated by nanosecond laser-produced underdense plasma

NASA Astrophysics Data System (ADS)

Tu, Shao-yong; Yuan, Yong-teng; Hu, Guang-yue; Miao, Wen-yong; Zhao, Bin; Zheng, Jian; Jiang, Shao-en; Ding, Yong-kun

2016-01-01

Efficient multi-keV x-ray sources can be produced using nanosecond laser pulse-heated middle-Z underdense plasmas generated using gas or foam. Previous experimental results show that an optimal initial target density exists for efficient multi-keV x-ray emission at which the laser ionization wave is supersonic. Here we explore the influence of the laser intensity and the pulse duration on this optimal initial target density via a one-dimensional radiation hydrodynamic simulation. The simulation shows that the optimal initial density is sensitive to both the laser intensity and the pulse duration. However, the speed of the supersonic ionization wave at the end of the laser irradiation is always maintained at 1.5 to 1.7 times that of the ion acoustic wave under the optimal initial density conditions.

Influence of surface vacancy defects on the carburisation of Fe 110 surface by carbon monoxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chakrabarty, Aurab, E-mail: aurab.chakrabarty@qatar.tamu.edu; Bouhali, Othmane; Mousseau, Normand

Adsorption and dissociation of gaseous carbon monoxide (CO) on metal surfaces is one of the most frequently occurring processes of carburisation, known as primary initiator of metal dusting corrosion. Among the various factors that can significantly influence the carburisation process are the intrinsic surface defects such as single surface vacancies occurring at high concentrations due to their low formation energy. Intuitively, adsorption and dissociation barriers of CO are expected to be lowered in the vicinity of a surface vacancy, due to the strong attractive interaction between the vacancy and the C atom. Here the adsorption energies and dissociation pathways ofmore » CO on clean and defective Fe 110 surface are explored by means of density functional theory. Interestingly, we find that the O adatom, resulting from the CO dissociation, is unstable in the electron-deficit neighbourhood of the vacancy due to its large electron affinity, and raises the barrier of the carburisation pathway. Still, a full comparative study between the clean surface and the vacancy-defected surface reveals that the complete process of carburisation, starting from adsorption to subsurface diffusion of C, is more favourable in the vicinity of a vacancy defect.« less

Method for fabricating boron carbide articles

DOEpatents

Ardary, Zane L.; Reynolds, Carl D.

1980-01-01

The present invention is directed to the fabrication of boron carbide articles having length-to-diameter or width ratios greater than 2 to 1. The process of the present invention is practiced by the steps comprising hot pressing boron carbide powder into article segments or portions in which the segments have a length-to-diameter or width ratio less than 1.5, aligning a plurality of the initially hot-pressed segments in a hot-pressing die with the end surfaces of the segments placed in intimate contact with one another, and then hot pressing the aligned segments into an article of the desired configuration. The resulting article exhibits essentially uniform density throughout the structure with the bonds between the segments being equivalent in hardness, strength, and density to the remainder of the article.

Preparation and electrochemical capacitance performances of super-hydrophilic conducting polyaniline

NASA Astrophysics Data System (ADS)

Li, Xingwei; Li, Xiaohan; Dai, Na; Wang, Gengchao; Wang, Zhun

Super-hydrophilic conducting polyaniline was prepared by surface modification of polyaniline using tetraethyl orthosilicate in water/ethanol solution, whereas its conductivity was 4.16 S cm -1 at 25 °C. And its electrochemical capacitance performances as an electrode material were evaluated by the cyclic voltammetry and galvanostatic charge/discharge test in 0.1 M H 2SO 4 aqueous solution. Its initial specific capacitance was 500 F g -1 at a constant current density of 1.5 A g -1, and the capacitance still reached about 400 F g -1 after 5000 consecutive cycles. Moreover, its capacitance retention ratio was circa 70% with the growth of current densities from 1.5 to 20 A g -1, indicating excellent rate capability. It would be a promising electrode material for aqueous redox supercapacitors.

Atmospheric electromagnetic pulse propagation effects from thick targets in a terawatt laser target chamber.

PubMed

Remo, John L; Adams, Richard G; Jones, Michael C

2007-08-20

Generation and effects of atmospherically propagated electromagnetic pulses (EMPs) initiated by photoelectrons ejected by the high density and temperature target surface plasmas from multiterawatt laser pulses are analyzed. These laser radiation pulse interactions can significantly increase noise levels, thereby obscuring data (sometimes totally) and may even damage sensitive probe and detection instrumentation. Noise effects from high energy density (approximately multiterawatt) laser pulses (approximately 300-400 ps pulse widths) interacting with thick approximately 1 mm) metallic and dielectric solid targets and dielectric-metallic powder mixtures are interpreted as transient resonance radiation associated with surface charge fluctuations on the target chamber that functions as a radiating antenna. Effective solutions that minimize atmospheric EMP effects on internal and proximate electronic and electro-optical equipment external to the system based on systematic measurements using Moebius loop antennas, interpretations of signal periodicities, and dissipation indicators determining transient noise origin characteristics from target emissions are described. Analytic models for the effect of target chamber resonances and associated noise current and temperature in a probe diode laser are described.

Atmospheric electromagnetic pulse propagation effects from thick targets in a terawatt laser target chamber

NASA Astrophysics Data System (ADS)

Remo, John L.; Adams, Richard G.; Jones, Michael C.

2007-08-01

Generation and effects of atmospherically propagated electromagnetic pulses (EMPs) initiated by photoelectrons ejected by the high density and temperature target surface plasmas from multiterawatt laser pulses are analyzed. These laser radiation pulse interactions can significantly increase noise levels, thereby obscuring data (sometimes totally) and may even damage sensitive probe and detection instrumentation. Noise effects from high energy density (approximately multiterawatt) laser pulses (˜300-400 ps pulse widths) interacting with thick (˜1 mm) metallic and dielectric solid targets and dielectric-metallic powder mixtures are interpreted as transient resonance radiation associated with surface charge fluctuations on the target chamber that functions as a radiating antenna. Effective solutions that minimize atmospheric EMP effects on internal and proximate electronic and electro-optical equipment external to the system based on systematic measurements using Moebius loop antennas, interpretations of signal periodicities, and dissipation indicators determining transient noise origin characteristics from target emissions are described. Analytic models for the effect of target chamber resonances and associated noise current and temperature in a probe diode laser are described.

Latent resilience in ponderosa pine forest: effects of resumed frequent fire.

PubMed

Larson, Andrew J; Belote, R Travis; Cansler, C Alina; Parks, Sean A; Dietz, Matthew S

2013-09-01

Ecological systems often exhibit resilient states that are maintained through negative feedbacks. In ponderosa pine forests, fire historically represented the negative feedback mechanism that maintained ecosystem resilience; fire exclusion reduced that resilience, predisposing the transition to an alternative ecosystem state upon reintroduction of fire. We evaluated the effects of reintroduced frequent wildfire in unlogged, fire-excluded, ponderosa pine forest in the Bob Marshall Wilderness, Montana, USA. Initial reintroduction of fire in 2003 reduced tree density and consumed surface fuels, but also stimulated establishment of a dense cohort of lodgepole pine, maintaining a trajectory toward an alternative state. Resumption of a frequent fire regime by a second fire in 2011 restored a low-density forest dominated by large-diameter ponderosa pine by eliminating many regenerating lodgepole pines and by continuing to remove surface fuels and small-diameter lodgepole pine and Douglas-fir that established during the fire suppression era. Our data demonstrate that some unlogged, fire-excluded, ponderosa pine forests possess latent resilience to reintroduced fire. A passive model of simply allowing lightning-ignited fires to burn appears to be a viable approach to restoration of such forests.

Pre-treatment of pyridine wastewater by new cathodic-anodic-electrolysis packing.

PubMed

Jin, Yang; Yue, Qinyan; Yang, Kunlun; Wu, Suqing; Li, Shengjie; Gao, Baoyu; Gao, Yuan

2018-01-01

A novel cathodic-anodic-electrolysis packing (CAEP) used in the treatment of pyridine wastewater was researched, which mainly consisted of 4,4'-diamino-2,2'-disulfonic acid (DSD acid) industrial iron sludge. The physical properties and morphology of the packing were studied. The CAEP was used in a column reactor during the pretreatment of pyridine wastewater. The influence of pH, hydraulic retention time (HRT), the air-liquid ratio (A/L) and the initial concentration of pyridine were investigated by measuring the removal of total organic carbon (TOC) and pyridine. The characterization results showed that the bulk density, grain density, water absorption percentage and specific surface area were 921kg/m 3 , 1086kg/m 3 , 25% and 29.89m 2 /g, respectively; the removal of TOC and pyridine could reach 50% and 58% at the optimal experimental conditions (pH=3, HRT=8hr, A/L=2). Notably, the surface of the packing was renewed constantly during the running of the filter, and the handling capacity was stable after running for three months. Copyright © 2017. Published by Elsevier B.V.

Synthesis of graphene aerogel for adsorption of bisphenol A

NASA Astrophysics Data System (ADS)

Trinh, Truong Thi Phuong Nguyet Xuan; Long, Nguyen Huynh Bach Son; Quang, Dong Thanh; Hieu, Nguyen Huu

2018-04-01

In this research, graphene aerogel (GA) was synthesized by chemical reduction method using ethylene diamine as a reducing agent. The morphology and properties of GA were characterized by calculating apparent density, Fourier transform infrared spectroscopy, X-ray diffraction, Raman spectroscopy, field emission scanning electron microscopy, and Brunauer-Emmett-Teller (BET) specific surface area. High-performance liquid chromatography (HPLC) was used to quantify the amount of the residual bisphenol A (BPA) concentration. The analysis results showed that GA exhibited low density ranging from 4-8 mg/cm3, hydrophobicity, high porosity, and specific surface area of 1883 m2/g according to BET. The obtained GA was used as an adsorbent for BPA. The effects of pH, contact time, and initial BPA concentration on the adsorption were investigated. The adsorption equilibrium time could be reached within 240 minutes. The adsorption data were well-fitted to pseudo-second-order kinetic equation and Langmuir isotherm model. The maximum adsorption capacity of GA for BPA calculated by the Langmuir model was 185.185 mg/g at pH 7. Accordingly, GA could be considered as promising adsorbents for BPA in water.

Atmospheric electromagnetic pulse propagation effects from thick targets in a terawatt laser target chamber

DOE PAGES

Remo, John L.; Adams, Richard G.; Jones, Michael C.

2007-08-16

Generation and effects of atmospherically propagated electromagnetic pulses (EMPs) initiated by photoelectrons ejected by the high density and temperature target surface plasmas from multiterawatt laser pulses are analyzed. These laser radiation pulse interactions can significantly increase noise levels, thereby obscuring data (sometimes totally) and may even damage sensitive probe and detection instrumentation. Noise effects from high energy density (approximately multiterawatt) laser pulses (~300–400 ps pulse widths) interacting with thick (~1 mm) metallic and dielectric solid targets and dielectric–metallic powder mixtures are interpreted as transient resonance radiation associated with surface charge fluctuations on the target chamber that functions as a radiatingmore » antenna. Effective solutions that minimize atmospheric EMP effects on internal and proximate electronic and electro-optical equipment external to the system based on systematic measurements using Moebius loop antennas, interpretations of signal periodicities, and dissipation indicators determining transient noise origin characteristics from target emissions are described. Analytic models for the effect of target chamber resonances and associated noise current and temperature in a probe diode laser are described.« less

Overview of HIT-SI Results and Plans

NASA Astrophysics Data System (ADS)

Ennis, D. A.; Akcay, C.; Hansen, C. J.; Hicks, N. K.; Hossack, A. C.; Jarboe, T. R.; Marklin, G. J.; Nelson, B. A.; Victor, B. S.

2011-10-01

Experiments in the Helicity Injected Torus-Steady Inductive (HIT-SI) device have achieved record spheromak current amplification during operations in deuterium plasmas. HIT-SI investigates steady inductive helicity injection with the aim of forming and sustaining a high-beta equilibrium in a spheromak geometry using two semi-toroidal injectors. Recent operations in deuterium plasmas have produced toroidal plasma currents greater than 50 kA, with current amplifications (Itor / Iinj) > 3 , and poloidal flux amplifications (ψpol /ψinj) > 10 . High performance deuterium discharges are achieved by initially conditioning the plasma-facing alumina surface of the HIT-SI confinement volume with helium plasmas. During subsequent deuterium operation the alumina surface strongly pumps deuterium, thereby limiting the density in the confinement volume. Additional measurements during high current deuterium discharges demonstrate reduced current and electron density fluctuations, impurity O III ion temperatures up to 50 eV and a toroidal current persistence for 0.6 ms after the injectors are shut off. Progress and plans for the HIT-SI3 configuration, with three injectors mounted on the same side of the confinement volume, will also be presented. Work supported by USDoE and ARRA.

Ozone reactions with indoor materials during building disinfection

NASA Astrophysics Data System (ADS)

Poppendieck, D.; Hubbard, H.; Ward, M.; Weschler, C.; Corsi, R. L.

There is scant information related to heterogeneous indoor chemistry at ozone concentrations necessary for the effective disinfection of buildings, i.e., hundreds to thousands of ppm. In the present study, 24 materials were exposed for 16 h to ozone concentrations of 1000-1200 ppm in the inlet streams of test chambers. Initial ozone deposition velocities were similar to those reported in the published literature for much lower ozone concentrations, but decayed rapidly as reaction sites on material surfaces were consumed. For every material, deposition velocities converged to a relatively constant, and typically low, value after approximately 11 h. The four materials with the highest sustained deposition velocities were ceiling tile, office partition, medium density fiberboard and gypsum wallboard backing. Analysis of ozone reaction probabilities indicated that throughout each experiment, and particularly after several hours of disinfection, surface reaction resistance dominated the overall resistance to ozone deposition for nearly all materials. Total building disinfection by-products (all carbonyls) were quantified per unit area of each material for the experimental period. Paper, office partition, and medium density fiberboard each released greater than 38 mg m -2 of by-products.

DNS of droplet motion in a turbulent flow

NASA Astrophysics Data System (ADS)

Rosso, Michele; Elghobashi, S.

2013-11-01

The objective of our research is to study the multi-way interactions between turbulence and vaporizing liquid droplets by performing direct numerical simulations (DNS). The freely-moving droplets are fully resolved in 3D space and time and all the relevant scales of the turbulent motion are simultaneously resolved down to the smallest length- and time-scales. Our DNS solve the unsteady three-dimensional Navier-Stokes and continuity equations throughout the whole computational domain, including the interior of the liquid droplets. The droplet surface motion and deformation are captured accurately by using the Level Set method. The pressure jump condition, density and viscosity discontinuities across the interface as well as surface tension are accounted for. Here, we present only the results of the first stage of our research which considers the effects of turbulence on the shape change of an initially spherical liquid droplet, at density ratio (of liquid to carrier fluid) of 1000, moving in isotropic turbulent flow. We validate our results via comparison with available expe. This research has been supported by NSF-CBET Award 0933085 and NSF PRAC (Petascale Computing Resource Allocation) Award.

Educational Brief: Using Space for a Better Foundation on Earth Mechanics of Granular Materials

NASA Technical Reports Server (NTRS)

Dooling, Dave (Editor)

2002-01-01

Soils are three-phase composite materials that consist of soil, solid particles, and voids filled with water and/or air. Based on the particle-size distribution, they are generally classified as fine-grained (clays and plastic silts) and coarse-grained soils (nonplastic silts, sand, and gravel). Soil's resistance to external loadings is mainly derived from friction between particles and cohesion. Friction resistance is due to particles' surface-to-surface friction, interlocking, crushing, rearrangement, and dilation (or expansion) during shearing. Cohesion can be due to chemical cementation between particles, electrostatic and electromagnetic forces, and soil-water reaction and equilibrium. The basic factor responsible for the strength of coarse-grained soils is friction. Cohesion can be ignored. This educational brief focuses on measuring shear strength of sands (typical example of coarse-grained soils) where, for the same material, packing density is a main factor to be considered when one asks about the shear strength value. As the external load is applied, the soil's resistance is attained through shearing resistance, which causes the soil volume to increase (expand) or decrease (compress) depending on the initial packing density.

Alfven resonance mode conversion in the Phaedrus-T current drive experiments: Modelling and density fluctuations measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vukovic, M.; Harper, M.; Breun, R.

1995-12-31

Current drive experiments on the Phaedrus-T tokamak performed with a low field side two-strap fast wave antenna at frequencies below {omega}{sub cH} show loop volt drops of up to 30% with strap phasing (0, {pi}/2). RF induced density fluctuations in the plasma core have also been observed with a microwave reflectometer. It is believed that they are caused by kinetic Alfven waves generated by mode conversion of fast waves at the Alfven resonance. Correlation of the observed density fluctuations with the magnitude of the {Delta}V{sub loop} suggest that the {Delta}V{sub loop} is attributable to current drive/heating due to mode convertedmore » kinetic Alfven waves. The toroidal cold plasma wave code LION is used to model the Alfven resonance mode conversion surfaces in the experiments while the cylindrical hot plasma kinetic wave code ISMENE is used to model the behavior of kinetic Alfven waves at the Alfven resonance location. Initial results obtained from limited density, magnetic field, antenna phase, and impurity scans show good agreement between the RF induced density fluctuations and the predicted behavior of the kinetic Alfven waves. Detailed comparisons between the density fluctuations and the code predictions are presented.« less

Understanding oxygen adsorption on 9.375 at. % Ga-stabilized δ-Pu (111) surface: A DFT study

DOE PAGES

Hernandez, Sarah C.; Wilkerson, Marianne P.; Huda, Muhammad N.

2015-08-30

Plutonium (Pu) metal reacts rapidly in the presence of oxygen (O), resulting in an oxide layer that will eventually have an olive green rust appearance over time. Recent experimental work suggested that the incorporation of gallium (Ga) as an alloying impurity to stabilize the highly symmetric high temperature δ-phase lattice may also provide resistance against corrosion/oxidation of plutonium. In this paper, we modeled a 9.375 at. % Ga stabilized δ-Pu (111) surface and investigated adsorption of atomic O using all-electron density functional theory. Key findings revealed that the O bonded strongly to a Pu-rich threefold hollow fcc site with amore » chemisorption energy of –5.06 eV. Migration of the O atom to a Pu-rich environment was also highly sensitive to the surface chemistry of the Pu–Ga surface; when the initial on-surface O adsorption site included a bond to a nearest neighboring Ga atom, the O atom relaxed to a Ga deficient environment, thus affirming the O preference for Pu. Only one calculated final on-surface O adsorption site included a Ga-O bond, but this chemisorption energy was energetically unfavorable. Chemisorption energies for interstitial adsorption sites that included a Pu or Pu-Ga environment suggested that over-coordination of the O atom was energetically unfavorable as well. Electronic structure properties of the on-surface sites, illustrated by the partial density of states, implied that the Ga 4p states indirectly but strongly influenced the Pu 6d states strongly to hybridize with the O 2p states, while also weakly influenced the Pu 5f states to hybridize with the O 2p states, even though Ga was not participating in bonding with O.« less

Understanding oxygen adsorption on 9.375 at. % Ga-stabilized δ-Pu (111) surface: A DFT study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hernandez, Sarah C.; Wilkerson, Marianne P.; Huda, Muhammad N.

Plutonium (Pu) metal reacts rapidly in the presence of oxygen (O), resulting in an oxide layer that will eventually have an olive green rust appearance over time. Recent experimental work suggested that the incorporation of gallium (Ga) as an alloying impurity to stabilize the highly symmetric high temperature δ-phase lattice may also provide resistance against corrosion/oxidation of plutonium. In this paper, we modeled a 9.375 at. % Ga stabilized δ-Pu (111) surface and investigated adsorption of atomic O using all-electron density functional theory. Key findings revealed that the O bonded strongly to a Pu-rich threefold hollow fcc site with amore » chemisorption energy of –5.06 eV. Migration of the O atom to a Pu-rich environment was also highly sensitive to the surface chemistry of the Pu–Ga surface; when the initial on-surface O adsorption site included a bond to a nearest neighboring Ga atom, the O atom relaxed to a Ga deficient environment, thus affirming the O preference for Pu. Only one calculated final on-surface O adsorption site included a Ga-O bond, but this chemisorption energy was energetically unfavorable. Chemisorption energies for interstitial adsorption sites that included a Pu or Pu-Ga environment suggested that over-coordination of the O atom was energetically unfavorable as well. Electronic structure properties of the on-surface sites, illustrated by the partial density of states, implied that the Ga 4p states indirectly but strongly influenced the Pu 6d states strongly to hybridize with the O 2p states, while also weakly influenced the Pu 5f states to hybridize with the O 2p states, even though Ga was not participating in bonding with O.« less

Three-dimensional train track model for study of rail corrugation

NASA Astrophysics Data System (ADS)

Jin, X. S.; Wen, Z. F.; Wang, K. Y.; Zhou, Z. R.; Liu, Q. Y.; Li, C. H.

2006-06-01

Rail corrugation is a main factor causing the vibration and noise from the structures of railway vehicles and tracks. A calculation model is put forward to analyse the effect of rail corrugation with different depths and wavelengths on the dynamical behaviour of a passenger car and a curved track in detail. Also the evolution of initial corrugation with different wavelengths is investigated. In the numerical analysis, Kalker's non-Hertzian rolling contact theory is modified and used to calculate the frictional work density on the contact area of the wheel and rail in rolling contact. The material loss per unit area is assumed to be proportional to the frictional work density to determine the wear depth of the contact surfaces of the curved rails. The combined influences of the corrugation development and the vertical and lateral coupled dynamics of the passenger car and the curved track are taken into account. The numerical results indicate that: (1) the corrugation with high passing frequencies has a great influence on the dynamical performance of the wheelset and track, but little on the car-body and the bogie frame; (2) the deeper the corrugation depth is, the greater the influence and the rail material wear are; but the longer the corrugation wavelength is, the smaller the influence and the wear are; and (3) the initial corrugation with a fixed wavelength on the rail running surface decreases with increasing number of the passenger car passages.

Automatic Monitoring of Tunnel Deformation Based on High Density Point Clouds Data

NASA Astrophysics Data System (ADS)

Du, L.; Zhong, R.; Sun, H.; Wu, Q.

2017-09-01

An automated method for tunnel deformation monitoring using high density point clouds data is presented. Firstly, the 3D point clouds data are converted to two-dimensional surface by projection on the XOY plane, the projection point set of central axis on XOY plane named Uxoy is calculated by combining the Alpha Shape algorithm with RANSAC (Random Sampling Consistency) algorithm, and then the projection point set of central axis on YOZ plane named Uyoz is obtained by highest and lowest points which are extracted by intersecting straight lines that through each point of Uxoy and perpendicular to the two -dimensional surface with the tunnel point clouds, Uxoy and Uyoz together form the 3D center axis finally. Secondly, the buffer of each cross section is calculated by K-Nearest neighbor algorithm, and the initial cross-sectional point set is quickly constructed by projection method. Finally, the cross sections are denoised and the section lines are fitted using the method of iterative ellipse fitting. In order to improve the accuracy of the cross section, a fine adjustment method is proposed to rotate the initial sectional plane around the intercept point in the horizontal and vertical direction within the buffer. The proposed method is used in Shanghai subway tunnel, and the deformation of each section in the direction of 0 to 360 degrees is calculated. The result shows that the cross sections becomes flat circles from regular circles due to the great pressure at the top of the tunnel

Spore Density Determines Infection Strategy by the Plant Pathogenic Fungus Plectosphaerella cucumerina1[OPEN

PubMed Central

2016-01-01

Necrotrophic and biotrophic pathogens are resisted by different plant defenses. While necrotrophic pathogens are sensitive to jasmonic acid (JA)-dependent resistance, biotrophic pathogens are resisted by salicylic acid (SA)- and reactive oxygen species (ROS)-dependent resistance. Although many pathogens switch from biotrophy to necrotrophy during infection, little is known about the signals triggering this transition. This study is based on the observation that the early colonization pattern and symptom development by the ascomycete pathogen Plectosphaerella cucumerina (P. cucumerina) vary between inoculation methods. Using the Arabidopsis (Arabidopsis thaliana) defense response as a proxy for infection strategy, we examined whether P. cucumerina alternates between hemibiotrophic and necrotrophic lifestyles, depending on initial spore density and distribution on the leaf surface. Untargeted metabolome analysis revealed profound differences in metabolic defense signatures upon different inoculation methods. Quantification of JA and SA, marker gene expression, and cell death confirmed that infection from high spore densities activates JA-dependent defenses with excessive cell death, while infection from low spore densities induces SA-dependent defenses with lower levels of cell death. Phenotyping of Arabidopsis mutants in JA, SA, and ROS signaling confirmed that P. cucumerina is differentially resisted by JA- and SA/ROS-dependent defenses, depending on initial spore density and distribution on the leaf. Furthermore, in situ staining for early callose deposition at the infection sites revealed that necrotrophy by P. cucumerina is associated with elevated host defense. We conclude that P. cucumerina adapts to early-acting plant defenses by switching from a hemibiotrophic to a necrotrophic infection program, thereby gaining an advantage of immunity-related cell death in the host. PMID:26842622

The Effect of COD Concentration Containing Leaves Litter, Canteen and Composite Waste to the Performance of Solid Phase Microbial Fuel Cell (SMFC)

NASA Astrophysics Data System (ADS)

Samudro, Ganjar; Syafrudin; Nugraha, Winardi Dwi; Sutrisno, Endro; Priyambada, Ika Bagus; Muthi'ah, Hilma; Sinaga, Glory Natalia; Hakiem, Rahmat Tubagus

2018-02-01

This research is conducted to analyze and determine the optimum of COD concentration containing leaves litter, canteen and composite waste to power density and COD removal efficiency as the indicator of SMFC performance. COD as the one of organic matter parameters perform as substrate, nutrient and dominating the whole process of SMFC. Leaves litter and canteen based food waste were obtained from TPST UNDIP in Semarang and treated in SMFC reactor. Its reactor was designed 2 liter volume and equipped by homemade graphene electrodes that were utilized at the surface of organic waste as cathode and in a half of reactor height as anode. COD concentration was initially characterized and became variations of initial COD concentration. Waste volume was maintained 2/3 of volume of reactor. Bacteria sources as the important process factor in SMFC were obtained from river sediment which contain bacteroides and exoelectrogenic bacteria. Temperature and pH were not maintained while power density and COD concentration were periodically observed and measured during 44 days. The results showed that power density up to 4 mW/m2 and COD removal efficiency performance up to 70% were reached by leaves litter, canteen and composite waste at days 11 up to days 44 days. Leaves litter contain 16,567 mg COD/l providing higher COD removal efficiency reached approximately 87.67%, more stable power density reached approximately 4.71 mW/m2, and faster optimum time in the third day than canteen based food waste and composite waste. High COD removal efficiency has not yet resulted in high power density.

Antiproton powered propulsion with magnetically confined plasma engines

NASA Technical Reports Server (NTRS)

Lapointe, Michael R.

1989-01-01

Matter-antimatter annihilation releases more energy per unit mass than any other method of energy production, making it an attractive energy source for spacecraft propulsion. In the magnetically confined plasma engine, antiproton beams are injected axially into a pulsed magnetic mirror system, where they annihilate with an initially neutral hydrogen gas. The resulting charged annihilation products transfer energy to the hydrogen propellant, which is then exhausted through one end of the pulsed mirror system to provide thrust. The calculated energy transfer efficiencies for a low number density (10(14)/cu cm) hydrogen propellant are insufficient to warrant operating the engine in this mode. Efficiencies are improved using moderate propellant number densities (10(16)/cu cm), but the energy transferred to the plasma in a realistic magnetic mirror system is generally limited to less than 2 percent of the initial proton-antiproton annihilation energy. The energy transfer efficiencies are highest for high number density (10(18)/cu cm) propellants, but plasma temperatures are reduced by excessive radiation losses. Low to moderate thrust over a wide range of specific impulse can be generated with moderate propellant number densities, while higher thrust but lower specific impulse may be generated using high propellant number densities. Significant mass will be required to shield the superconducting magnet coils from the high energy gamma radiation emitted by neutral pion decay. The mass of such a radiation shield may dominate the total engine mass, and could severely diminish the performance of antiproton powered engines which utilize magnetic confinement. The problem is compounded in the antiproton powered plasma engine, where lower energy plasma bremsstrahlung radiation may cause shield surface ablation and degradation.

Ground-penetrating radar evidence of refrozen meltwater in the firn column of Larsen C Ice Shelf

NASA Astrophysics Data System (ADS)

Hubbard, B. P.; Booth, A. D.; Sevestre, H.; Kulessa, B.; Bevan, S. L.; Luckman, A. J.; Kuipers Munneke, P.; Buzzard, S. C.; Ashmore, D. W.; O'Leary, M.

2017-12-01

Firn densification, which has been strongly implicated in ice shelf collapse, can occur rapidly by the percolation and refreezing of surface meltwater. This process reduces the permeability of the firn column, potentially establishing a positive feedback between densification and the occurrence of surface meltwater ponds, and may ultimately facilitate fracturing associated with shelf collapse. Meltwater ponds on Larsen C's Cabinet (CI) and Whirlwind (WI) inlets form where foehn winds reach and influence the shelf surface. While associated zones of refrozen meltwater are strongly evidenced in borehole optical televiewing (OPTV) and seismic refraction data, the sparsity of these observations limits insight into the dimensions of these zones. Here, we present highlights from an 800-km archive of ground-penetrating radar (GPR) profiles acquired by the MIDAS project on CI and WI during November-December 2015. In the upstream reaches of CI and WI, stratified firn layers are abruptly truncated by zones of diminished GPR reflectivity. These initiate 5 m beneath the surface and extend to a depth of 30 m. Volumes appear to exceed 6 km3 (CI) and 1 km3 (WI); these are underestimates, established only where there is GPR control. The horizontal distribution of these zones correlates with the pattern of reduced backscatter in SAR images, supporting their association with meltwater ponds. GPR reflectivity models, derived from OPTV density trends, suggest reduced GPR wavespeeds (as do GPR velocity analyses) and dielectric contrasts consistent with homogenised and densified firn. A firn density model supports the ability of meltwater ponds to form periodically in Cabinet Inlet and subsequently homogenise the density of the firn column. Our observations suggest that ice shelves affected by surface melt and ponding can contain spatially extensive bodies of ice that are warmer and denser than assumed so far, with significant implications for ice shelf flow and fracturing.

Tribological Behavior of Oil-Lubricated Laser Textured Steel Surfaces in Conformal Flat and Non-Conformal Contacts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kovalchenko, A. M.; Erdemir, A.; Ajayi, O. O.

Changing the surface texture of sliding surfaces is an effective way to manipulate friction and wear of lubricated surfaces. Having realized its potential, we have done very extensive studies on the effects of laser surface texturing (LST, which involves the creation of an array of microdimples on a surface) on friction and wear behavior of oil-lubricated steel surfaces in the early 2000s. In this paper, we reviewed some of our research accomplishments and assessed future directions of the laser texturing field in many diverse industrial applications. Our studies specifically addressed the impact of laser texturing on friction and wear ofmore » both the flat conformal and initial non-conformal point contact configurations using a pin-on-disk test rig under fully-flooded synthetic oil lubricants with different viscosities. Electrical resistance measurement between pin and LST disks was also used to determine the operating lubrication regimes in relation to friction. In conformal contact, we confirmed that LST could significantly expand the operating conditions for hydrodynamic lubrication to significantly much higher loads and slower speeds. In particular, with LST and higher viscosity oils, the low-friction full hydrodynamic regime was shifted to the far left in the Stribeck diagram. Overall, the beneficial effects of laser surface texturing were more pronounced at higher speeds and loads and with higher viscosity oil. LST was also observed to reduce the magnitude of friction coefficients in the boundary regime. For the non-conformal contact configuration, we determined that LST would produce more abrasive wear on the rubbing counterface compared to the untreated surfaces due to a reduction in lubricant fluid film thickness, as well as the highly uneven and rough nature of the textured surfaces. However, this higher initial wear rate has led to faster generation of a conformal contact, and thus transition from the high-friction boundary to lower friction mixed lubrication regime, resulting in a rapid reduction in the friction coefficient with increased ball wear. Higher density of LST, lower oil viscosity, and hardness of counterface steel surface facilitate an increase of the initial wear, which promotes friction reduction. This phenomenon can be beneficial if the initial accelerated wear on the counterface is acceptable in intended applications. This paper summarizes our experimental investigation of the effect of LST on friction properties and lubrication regime transitions in a unidirectional sliding contact.« less

High-performance all-solid-state flexible supercapacitors based on two-step activated carbon cloth

NASA Astrophysics Data System (ADS)

Jiang, Shulan; Shi, Tielin; Zhan, Xiaobin; Long, Hu; Xi, Shuang; Hu, Hao; Tang, Zirong

2014-12-01

A simple and effective strategy is proposed to activate carbon cloth for the fabrication of flexible and high-performance supercapacitors. Firstly, the carbon cloth surface is exfoliated as nanotextures through wet chemical treatment, then an annealing process is applied at H2/N2 atmosphere to reduce the surface oxygen functional groups which are mainly introduced from the first step. The activated carbon cloth electrode shows excellent wettablity, large surface area and delivers remarkable electrochemical performance. A maximum areal capacitance of 485.64 mF cm-2 at the current density of 2 mA cm-2 is achieved for the activated carbon cloth electrode, which is considerably larger than the resported results for carbon cloth. Furthermore, the flexible all-solid-state supercapacitor, which is fabricated based on the activated carbon cloth electrodes, shows high areal capacitance, superior cycling stability as well as stable electrochemical performance even under constant bending or twisting conditions. An areal capacitance of 161.28 mF cm-2 is achieved at the current density of 12.5 mA cm-2, and 104% of its initial capacitance is retained after 30,000 charging/discharging cycles. This study would also provide an effective way to boost devices' electrochemical performance by accommodating other active materials on the activated carbon cloth.

Active site densities, oxygen activation and adsorbed reactive oxygen in alcohol activation on npAu catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Lu-Cun; Friend, C. M.; Fushimi, Rebecca

The activation of molecular O 2as well as the reactivity of adsorbed oxygen species is of central importance in aerobic selective oxidation chemistry on Au-based catalysts. Herein, we address the issue of O 2activation on unsupported nanoporous gold (npAu) catalysts by applying a transient pressure technique, a temporal analysis of products (TAP) reactor, to measure the saturation coverage of atomic oxygen, its collisional dissociation probability, the activation barrier for O 2dissociation, and the facility with which adsorbed O species activate methanol, the initial step in the catalytic cycle of esterification. The results from these experiments indicate that molecular O 2dissociationmore » is associated with surface silver, that the density of reactive sites is quite low, that adsorbed oxygen atoms do not spill over from the sites of activation onto the surrounding surface, and that methanol reacts quite facilely with the adsorbed oxygen atoms. In addition, the O species from O 2dissociation exhibits reactivity for the selective oxidation of methanol but not for CO. The TAP experiments also revealed that the surface of the npAu catalyst is saturated with adsorbed O under steady state reaction conditions, at least for the pulse reaction.« less

Active site densities, oxygen activation and adsorbed reactive oxygen in alcohol activation on npAu catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Lu-Cun; Friend, C. M.; Fushimi, Rebecca

2016-01-01

The activation of molecular O 2as well as the reactivity of adsorbed oxygen species is of central importance in aerobic selective oxidation chemistry on Au-based catalysts. Herein, we address the issue of O 2activation on unsupported nanoporous gold (npAu) catalysts by applying a transient pressure technique, a temporal analysis of products (TAP) reactor, to measure the saturation coverage of atomic oxygen, its collisional dissociation probability, the activation barrier for O 2dissociation, and the facility with which adsorbed O species activate methanol, the initial step in the catalytic cycle of esterification. The results from these experiments indicate that molecular O 2dissociationmore » is associated with surface silver, that the density of reactive sites is quite low, that adsorbed oxygen atoms do not spill over from the sites of activation onto the surrounding surface, and that methanol reacts quite facilely with the adsorbed oxygen atoms. In addition, the O species from O 2dissociation exhibits reactivity for the selective oxidation of methanol but not for CO. The TAP experiments also revealed that the surface of the npAu catalyst is saturated with adsorbed O under steady state reaction conditions, at least for the pulse reaction.« less

Surface characteristics and bioactivity of oxide film on titanium metal formed by thermal oxidation.

PubMed

Park, Yeong-Joon; Song, Ho-Jun; Kim, In; Yang, Hong-So

2007-04-01

In this study, we characterized the surface of oxide film formed on titanium metal through the use of thermal treatment and investigated the effect of surface characteristics on the bioactivity of titanium. The as-received sample group was prepared by polishing and cleaning CP-Ti as a control group, and thermally oxidized sample groups were prepared by heat treating at 530, 600, 700, 800, 900, and 1000 degrees C respectively. Micro-morphology, crystalline structure, chemical composition, and binding state were evaluated using FE-SEM, XRD, and XPS. The bioactivity of sample groups was investigated by observing the degree of calcium phosphate formation from immersion testing in MEM. The surface characterization tests showed that hydroxyl group content in titanium oxide film was increased, as the density of titanium atoms was high and the surface area was large. In MEM immersion test, initial calcium phosphate formation was dependent upon the thickness of titanium oxide, and resultant calcium phosphate formation depended on the content of the hydroxyl group of the titanium oxide film surface.

How to Make Data a Blessing to Parametric Uncertainty Quantification and Reduction?

NASA Astrophysics Data System (ADS)

Ye, M.; Shi, X.; Curtis, G. P.; Kohler, M.; Wu, J.

2013-12-01

In a Bayesian point of view, probability of model parameters and predictions are conditioned on data used for parameter inference and prediction analysis. It is critical to use appropriate data for quantifying parametric uncertainty and its propagation to model predictions. However, data are always limited and imperfect. When a dataset cannot properly constrain model parameters, it may lead to inaccurate uncertainty quantification. While in this case data appears to be a curse to uncertainty quantification, a comprehensive modeling analysis may help understand the cause and characteristics of parametric uncertainty and thus turns data into a blessing. In this study, we illustrate impacts of data on uncertainty quantification and reduction using an example of surface complexation model (SCM) developed to simulate uranyl (U(VI)) adsorption. The model includes two adsorption sites, referred to as strong and weak sites. The amount of uranium adsorption on these sites determines both the mean arrival time and the long tail of the breakthrough curves. There is one reaction on the weak site but two reactions on the strong site. The unknown parameters include fractions of the total surface site density of the two sites and surface complex formation constants of the three reactions. A total of seven experiments were conducted with different geochemical conditions to estimate these parameters. The experiments with low initial concentration of U(VI) result in a large amount of parametric uncertainty. A modeling analysis shows that it is because the experiments cannot distinguish the relative adsorption affinity of the strong and weak sites on uranium adsorption. Therefore, the experiments with high initial concentration of U(VI) are needed, because in the experiments the strong site is nearly saturated and the weak site can be determined. The experiments with high initial concentration of U(VI) are a blessing to uncertainty quantification, and the experiments with low initial concentration help modelers turn a curse into a blessing. The data impacts on uncertainty quantification and reduction are quantified using probability density functions of model parameters obtained from Markov Chain Monte Carlo simulation using the DREAM algorithm. This study provides insights to model calibration, uncertainty quantification, experiment design, and data collection in groundwater reactive transport modeling and other environmental modeling.

Mechanism of photocatalytic water oxidation on small TiO 2 nanoparticles

DOE PAGES

Muuronen, Mikko; Parker, Shane M.; Berardo, Enrico; ...

2016-12-07

Here, we present the first unconstrained nonadiabatic molecular dynamics (NAMD) simulations of photocatalytic water oxidation by small hydrated TiO 2 nanoparticles using Tully surface hopping and time-dependent density functional theory. The results indicate that ultrafast electron–proton transfer from physisorbed water to the photohole initiates the photo-oxidation on the S 1 potential energy surface. The new mechanism readily explains the observation of mobile hydroxyl radicals in recent experiments. Two key driving forces for the photo-oxidation reaction are identified: localization of the electron–hole pair and stabilization of the photohole by hydrogen bonding interaction. Our findings illustrate the scope of recent advances inmore » NAMD methods and emphasize the importance of explicit simulation of electronic excitations.« less

An improved initialization center k-means clustering algorithm based on distance and density

NASA Astrophysics Data System (ADS)

Duan, Yanling; Liu, Qun; Xia, Shuyin

2018-04-01

Aiming at the problem of the random initial clustering center of k means algorithm that the clustering results are influenced by outlier data sample and are unstable in multiple clustering, a method of central point initialization method based on larger distance and higher density is proposed. The reciprocal of the weighted average of distance is used to represent the sample density, and the data sample with the larger distance and the higher density are selected as the initial clustering centers to optimize the clustering results. Then, a clustering evaluation method based on distance and density is designed to verify the feasibility of the algorithm and the practicality, the experimental results on UCI data sets show that the algorithm has a certain stability and practicality.

Forming high efficiency silicon solar cells using density-graded anti-reflection surfaces

DOEpatents

Yuan, Hao-Chih; Branz, Howard M.; Page, Matthew R.

2014-09-09

A method (50) is provided for processing a graded-density AR silicon surface (14) to provide effective surface passivation. The method (50) includes positioning a substrate or wafer (12) with a silicon surface (14) in a reaction or processing chamber (42). The silicon surface (14) has been processed (52) to be an AR surface with a density gradient or region of black silicon. The method (50) continues with heating (54) the chamber (42) to a high temperature for both doping and surface passivation. The method (50) includes forming (58), with a dopant-containing precursor in contact with the silicon surface (14) of the substrate (12), an emitter junction (16) proximate to the silicon surface (14) by doping the substrate (12). The method (50) further includes, while the chamber is maintained at the high or raised temperature, forming (62) a passivation layer (19) on the graded-density silicon anti-reflection surface (14).

Forming high-efficiency silicon solar cells using density-graded anti-reflection surfaces

DOEpatents

Yuan, Hao-Chih; Branz, Howard M.; Page, Matthew R.

2015-07-07

A method (50) is provided for processing a graded-density AR silicon surface (14) to provide effective surface passivation. The method (50) includes positioning a substrate or wafer (12) with a silicon surface (14) in a reaction or processing chamber (42). The silicon surface (14) has been processed (52) to be an AR surface with a density gradient or region of black silicon. The method (50) continues with heating (54) the chamber (42) to a high temperature for both doping and surface passivation. The method (50) includes forming (58), with a dopant-containing precursor in contact with the silicon surface (14) of the substrate (12), an emitter junction (16) proximate to the silicon surface (14) by doping the substrate (12). The method (50) further includes, while the chamber is maintained at the high or raised temperature, forming (62) a passivation layer (19) on the graded-density silicon anti-reflection surface (14).

Particle-bearing currents in uniform density and two-layer fluids

NASA Astrophysics Data System (ADS)

Sutherland, Bruce R.; Gingras, Murray K.; Knudson, Calla; Steverango, Luke; Surma, Christopher

2018-02-01

Lock-release gravity current experiments are performed to examine the evolution of a particle bearing flow that propagates either in a uniform-density fluid or in a two-layer fluid. In all cases, the current is composed of fresh water plus micrometer-scale particles, the ambient fluid is saline, and the current advances initially either over the surface as a hypopycnal current or at the interface of the two-layer fluid as a mesopycnal current. In most cases the tank is tilted so that the ambient fluid becomes deeper with distance from the lock. For hypopycnal currents advancing in a uniform density fluid, the current typically slows as particles rain out of the current. While the loss of particles alone from the current should increase the current's buoyancy and speed, in practice the current's speed decreases because the particles carry with them interstitial fluid from the current. Meanwhile, rather than settling on the sloping bottom of the tank, the particles form a hyperpycnal (turbidity) current that advances until enough particles rain out that the relatively less dense interstitial fluid returns to the surface, carrying some particles back upward. When a hypopycnal current runs over the surface of a two-layer fluid, the particles that rain out temporarily halt their descent as they reach the interface, eventually passing through it and again forming a hyperpycnal current. Dramatically, a mesopycnal current in a two-layer fluid first advances along the interface and then reverses direction as particles rain out below and fresh interstitial fluid rises above.

Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

NASA Astrophysics Data System (ADS)

Rivera-Rivera, Luis A.; Wagner, Albert F.; Sewell, Thomas D.; Thompson, Donald L.

2015-01-01

Classical molecular dynamics simulations were performed to study the relaxation of nitromethane in an Ar bath (of 1000 atoms) at 300 K and pressures 10, 50, 75, 100, 125, 150, 300, and 400 atm. The molecule was instantaneously excited by statistically distributing 50 kcal/mol among the internal degrees of freedom. At each pressure, 1000 trajectories were integrated for 1000 ps, except for 10 atm, for which the integration time was 5000 ps. The computed ensemble-averaged rotational energy decay is ˜100 times faster than the vibrational energy decay. Both rotational and vibrational decay curves can be satisfactorily fit with the Lendvay-Schatz function, which involves two parameters: one for the initial rate and one for the curvature of the decay curve. The decay curves for all pressures exhibit positive curvature implying the rate slows as the molecule loses energy. The initial rotational relaxation rate is directly proportional to density over the interval of simulated densities, but the initial vibrational relaxation rate decreases with increasing density relative to the extrapolation of the limiting low-pressure proportionality to density. The initial vibrational relaxation rate and curvature are fit as functions of density. For the initial vibrational relaxation rate, the functional form of the fit arises from a combinatorial model for the frequency of nitromethane "simultaneously" colliding with multiple Ar atoms. Roll-off of the initial rate from its low-density extrapolation occurs because the cross section for collision events with L Ar atoms increases with L more slowly than L times the cross section for collision events with one Ar atom. The resulting density-dependent functions of the initial rate and curvature represent, reasonably well, all the vibrational decay curves except at the lowest density for which the functions overestimate the rate of decay. The decay over all gas phase densities is predicted by extrapolating the fits to condensed-phase densities.

Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rivera-Rivera, Luis A.; Wagner, Albert F.; Sewell, Thomas D.

2015-01-07

Classical molecular dynamics simulations were performed to study the relaxation of nitromethane in an Ar bath (of 1000 atoms) at 300 K and pressures 10, 50, 75, 100, 125, 150, 300, and 400 atm. The molecule was instantaneously excited by statistically distributing 50 kcal/mol among the internal degrees of freedom. At each pressure, 1000 trajectories were integrated for 1000 ps, except for 10 atm, for which the integration time was 5000 ps. The computed ensemble-averaged rotational energy decay is similar to 100 times faster than the vibrational energy decay. Both rotational and vibrational decay curves can be satisfactorily fit withmore » the Lendvay-Schatz function, which involves two parameters: one for the initial rate and one for the curvature of the decay curve. The decay curves for all pressures exhibit positive curvature implying the rate slows as the molecule loses energy. The initial rotational relaxation rate is directly proportional to density over the interval of simulated densities, but the initial vibrational relaxation rate decreases with increasing density relative to the extrapolation of the limiting low-pressure proportionality to density. The initial vibrational relaxation rate and curvature are fit as functions of density. For the initial vibrational relaxation rate, the functional form of the fit arises from a combinatorial model for the frequency of nitromethane "simultaneously" colliding with multiple Ar atoms. Roll-off of the initial rate from its low-density extrapolation occurs because the cross section for collision events with L Ar atoms increases with L more slowly than L times the cross section for collision events with one Ar atom. The resulting density-dependent functions of the initial rate and curvature represent, reasonably well, all the vibrational decay curves except at the lowest density for which the functions overestimate the rate of decay. The decay over all gas phase densities is predicted by extrapolating the fits to condensed-phase densities. (C) 2015 AIP Publishing LLC.« less

Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath.

PubMed

Rivera-Rivera, Luis A; Wagner, Albert F; Sewell, Thomas D; Thompson, Donald L

2015-01-07

Classical molecular dynamics simulations were performed to study the relaxation of nitromethane in an Ar bath (of 1000 atoms) at 300 K and pressures 10, 50, 75, 100, 125, 150, 300, and 400 atm. The molecule was instantaneously excited by statistically distributing 50 kcal/mol among the internal degrees of freedom. At each pressure, 1000 trajectories were integrated for 1000 ps, except for 10 atm, for which the integration time was 5000 ps. The computed ensemble-averaged rotational energy decay is ∼100 times faster than the vibrational energy decay. Both rotational and vibrational decay curves can be satisfactorily fit with the Lendvay-Schatz function, which involves two parameters: one for the initial rate and one for the curvature of the decay curve. The decay curves for all pressures exhibit positive curvature implying the rate slows as the molecule loses energy. The initial rotational relaxation rate is directly proportional to density over the interval of simulated densities, but the initial vibrational relaxation rate decreases with increasing density relative to the extrapolation of the limiting low-pressure proportionality to density. The initial vibrational relaxation rate and curvature are fit as functions of density. For the initial vibrational relaxation rate, the functional form of the fit arises from a combinatorial model for the frequency of nitromethane "simultaneously" colliding with multiple Ar atoms. Roll-off of the initial rate from its low-density extrapolation occurs because the cross section for collision events with L Ar atoms increases with L more slowly than L times the cross section for collision events with one Ar atom. The resulting density-dependent functions of the initial rate and curvature represent, reasonably well, all the vibrational decay curves except at the lowest density for which the functions overestimate the rate of decay. The decay over all gas phase densities is predicted by extrapolating the fits to condensed-phase densities.

Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rivera-Rivera, Luis A.; Sewell, Thomas D.; Thompson, Donald L.

2015-01-07

Classical molecular dynamics simulations were performed to study the relaxation of nitromethane in an Ar bath (of 1000 atoms) at 300 K and pressures 10, 50, 75, 100, 125, 150, 300, and 400 atm. The molecule was instantaneously excited by statistically distributing 50 kcal/mol among the internal degrees of freedom. At each pressure, 1000 trajectories were integrated for 1000 ps, except for 10 atm, for which the integration time was 5000 ps. The computed ensemble-averaged rotational energy decay is ∼100 times faster than the vibrational energy decay. Both rotational and vibrational decay curves can be satisfactorily fit with the Lendvay-Schatzmore » function, which involves two parameters: one for the initial rate and one for the curvature of the decay curve. The decay curves for all pressures exhibit positive curvature implying the rate slows as the molecule loses energy. The initial rotational relaxation rate is directly proportional to density over the interval of simulated densities, but the initial vibrational relaxation rate decreases with increasing density relative to the extrapolation of the limiting low-pressure proportionality to density. The initial vibrational relaxation rate and curvature are fit as functions of density. For the initial vibrational relaxation rate, the functional form of the fit arises from a combinatorial model for the frequency of nitromethane “simultaneously” colliding with multiple Ar atoms. Roll-off of the initial rate from its low-density extrapolation occurs because the cross section for collision events with L Ar atoms increases with L more slowly than L times the cross section for collision events with one Ar atom. The resulting density-dependent functions of the initial rate and curvature represent, reasonably well, all the vibrational decay curves except at the lowest density for which the functions overestimate the rate of decay. The decay over all gas phase densities is predicted by extrapolating the fits to condensed-phase densities.« less

Spectroscopic study of a DNA brush synthesized in situ by surface initiated enzymatic polymerization.

PubMed

Khan, M Nuruzzaman; Tjong, Vinalia; Chilkoti, Ashutosh; Zharnikov, Michael

2013-08-29

We used a combination of synchrotron-based X-ray photoelectron spectroscopy (XPS) and angle-resolved near-edge X-ray absorption fine structure (NEXAFS) spectroscopy to study the chemical integrity, purity, and possible internal alignment of single-strand (ss) adenine deoxynucleotide (poly(A)) DNA brushes. The brushes were synthesized by surface-initiated enzymatic polymerization (SIEP) on a 25-mer of adenine self-assembled monolayer (SAM) on gold (A25-SH), wherein the terminal 3'-OH of the A25-SH serve as the initiation sites for SIEP of poly(A). XPS and NEXAFS spectra of poly(A) brushes were found to be almost identical to those of A25-SH initiator, with no unambiguous traces of contamination. Apart from the well-defined chemical integrity and contamination-free character, the brushes were found to have a high degree of orientational order, with an upright orientation of individual strands, despite their large thickness up to ~55 nm, that corresponds to a chain length of at least several hundred nucleotides for individual ssDNA molecules. The orientational order exhibited by these poly(A) DNA brushes, mediated presumably by base stacking, was found to be independent of the brush thickness as long as the packing density was high enough. The well-defined character and orientational ordering of the ssDNA brushes make them a potentially promising system for different applications.

Self-focusing and defocusing of Gaussian laser beams in collisional inhomogeneous plasmas with linear density and temperature ramps

NASA Astrophysics Data System (ADS)

Hashemzadeh, M.

2018-01-01

Self-focusing and defocusing of Gaussian laser beams in collisional inhomogeneous plasmas are investigated in the presence of various laser intensities and linear density and temperature ramps. Considering the ponderomotive force and using the momentum transfer and energy equations, the nonlinear electron density is derived. Taking into account the paraxial approximation and nonlinear electron density, a nonlinear differential equation, governing the focusing and defocusing of the laser beam, is obtained. Results show that in the absence of ramps the laser beam is focused between a minimum and a maximum value of laser intensity. For a certain value of laser intensity and initial electron density, the self-focusing process occurs in a temperature range which reaches its maximum at turning point temperature. However, the laser beam is converged in a narrow range for various amounts of initial electron density. It is indicated that the σ2 parameter and its sign can affect the self-focusing process for different values of laser intensity, initial temperature, and initial density. Finally, it is found that although the electron density ramp-down diverges the laser beam, electron density ramp-up improves the self-focusing process.

The dynamics of oceanic fronts. I - The Gulf Stream

NASA Technical Reports Server (NTRS)

Kao, T. W.

1980-01-01

The establishment and maintenance of the mean hydrographic properties of large-scale density fronts in the upper ocean is considered. The dynamics is studied by posing an initial value problem starting with a near-surface discharge of buoyant water with a prescribed density deficit into an ambient stationary fluid of uniform density; full time dependent diffusion and Navier-Stokes equations are then used with constant eddy diffusion and viscosity coefficients, together with a constant Coriolis parameter. Scaling analysis reveals three independent scales of the problem including the radius of deformation of the inertial length, buoyancy length, and diffusive length scales. The governing equations are then suitably scaled and the resulting normalized equations are shown to depend on the Ekman number alone for problems of oceanic interest. It is concluded that the mean Gulf Stream dynamics can be interpreted in terms of a solution of the Navier-Stokes and diffusion equations, with the cross-stream circulation responsible for the maintenance of the front; this mechanism is suggested for the maintenance of the Gulf Stream dynamics.

Detonation in TATB Hemispheres

DOE Office of Scientific and Technical Information (OSTI.GOV)

Druce, B; Souers, P C; Chow, C

2004-03-17

Streak camera breakout and Fabry-Perot interferometer data have been taken on the outer surface of 1.80 g/cm{sup 3} TATB hemispherical boosters initiated by slapper detonators at three temperatures. The slapper causes breakout to occur at 54{sup o} at ambient temperatures and 42{sup o} at -54 C, where the axis of rotation is 0{sup o}. The Fabry velocities may be associated with pressures, and these decrease for large timing delays in breakout seen at the colder temperatures. At room temperature, the Fabry pressures appear constant at all angles. Both fresh and decade-old explosive are tested and no difference is seen. Themore » problem has been modeled with reactive flow. Adjustment of the JWL for temperature makes little difference, but cooling to -54 C decreases the rate constant by 1/6th. The problem was run both at constant density and with density differences using two different codes. The ambient code results show that a density difference is probably there but it cannot be quantified.« less

Molecular surface mesh generation by filtering electron density map.

PubMed

Giard, Joachim; Macq, Benoît

2010-01-01

Bioinformatics applied to macromolecules are now widely spread and in continuous expansion. In this context, representing external molecular surface such as the Van der Waals Surface or the Solvent Excluded Surface can be useful for several applications. We propose a fast and parameterizable algorithm giving good visual quality meshes representing molecular surfaces. It is obtained by isosurfacing a filtered electron density map. The density map is the result of the maximum of Gaussian functions placed around atom centers. This map is filtered by an ideal low-pass filter applied on the Fourier Transform of the density map. Applying the marching cubes algorithm on the inverse transform provides a mesh representation of the molecular surface.

Uncovering the density of nanowire surface trap states hidden in the transient photoconductance.

PubMed

Xu, Qiang; Dan, Yaping

2016-09-21

The gain of nanoscale photoconductors is closely correlated with surface trap states. Mapping out the density of surface trap states in the semiconductor bandgap is crucial for engineering the performance of nanoscale photoconductors. Traditional capacitive techniques for the measurement of surface trap states are not readily applicable to nanoscale devices. Here, we demonstrate a simple technique to extract the information on the density of surface trap states hidden in the transient photoconductance that is widely observed. With this method, we found that the density of surface trap states of a single silicon nanowire is ∼10(12) cm(-2) eV(-1) around the middle of the upper half bandgap.

High CD4(+) T-cell surface CXCR4 density as a risk factor for R5 to X4 switch in the course of HIV-1 infection.

PubMed

Fiser, Anne-Laure; Vincent, Thierry; Brieu, Natalie; Lin, Yea-Lih; Portalès, Pierre; Mettling, Clément; Reynes, Jacques; Corbeau, Pierre

2010-12-15

For unclear reasons, about 50% of HIV-infected subjects harbour CXCR4-using (X4) viral strains in addition of CCR5-using (R5) viral strains at late stages of the disease. One hypothesis is that a low CD4(+) T-cell surface CCR5 density could facilitate the emergence of X4 strains. Alternatively, one could argue that a high CD4(+) T-cell surface CXCR4 density that is observed in individuals presenting with X4 strains, could favour R5 to X4 switch. Here, we tested both hypotheses. In vivo, we observed by quantitative flow cytometry no difference in CD4(+) T-cell surface CCR5 densities between patients with or without X4 strains. In the course of an in vitro R5 infection, the delay of emergence of X4 mutants was similar between cells expressing 2 distinct cell surface CCR5 densities, but shorter (12 ± 0 days and 21 ± 0 days, respectively, P = 0.01) in cells expressing a high surface CXCR4 density as compared with cells with a low surface CXCR4 density. These data argue for a role of CXCR4 density, but not of CCR5 density, in the emergence of X4 strains. They are reassuring concerning the risk of inducing an R5 to X4 switch using CCR5 antagonists to treat HIV infection.

On the influence of substrate morphology and surface area on phytofauna

USGS Publications Warehouse

Becerra-Munoz, S.; Schramm, H.L.

2007-01-01

The independent effects and interactions between substrate morphology and substrate surface area on invertebrate density or biomass colonizing artificial plant beds were assessed in a clear-water and a turbid playa lake in Castro County, Texas, USA. Total invertebrate density and biomass were consistently greater on filiform substrates than on laminar substrates with equivalent substrate surface areas. The relationship among treatments (substrates with different morphologies and surface areas) and response (invertebrate density or biomass) was assessed with equally spaced surface areas. Few statistically significant interactions between substrate morphology and surface area were detected, indicating that these factors were mostly independent from each other in their effect on colonizing invertebrates. Although infrequently, when substrate morphology and surface area were not independent, the effects of equally spaced changes in substrate surface area on the rate of change of phytofauna density or biomass per unit of substrate surface area were dependent upon substrate morphology. The absence of three-way interactions indicated that effects of substrate morphology and substrate area on phytofauna density or biomass were independent of environmental conditions outside and inside exclosures. ?? 2006 Springer Science+Business Media B.V.

Evolution of surface structure in laser-preheated, perturbed materials

DOE PAGES

Di Stefano, Carlos; Merritt, Elizabeth Catherine; Doss, Forrest William; ...

2017-02-03

Here, we report an experimental and computational study investigating the effects of laser preheat on the hydrodynamic behavior of a material layer. In particular, we find that perturbation of the surface of the layer results in a complex interaction, in which the bulk of the layer develops density, pressure, and temperature structure and in which the surface experiences instability-like behavior, including mode coupling. A uniform one-temperature preheat model is used to reproduce the experimentally observed behavior, and we find that this model can be used to capture the evolution of the layer, while also providing evidence of complexities in themore » preheat behavior. Lastly, this result has important consequences for inertially confined fusion plasmas, which can be difficult to diagnose in detail, as well as for laser hydrodynamics experiments, which generally depend on assumptions about initial conditions in order to interpret their results.« less

Tuning electronic and magnetic properties of GaN nanosheets by surface modifications and nanosheet thickness.

PubMed

Xiao, Meixia; Yao, Tingzhen; Ao, Zhimin; Wei, Peng; Wang, Danghui; Song, Haiyang

2015-04-14

Density-functional theory calculations are performed to investigate the effects of surface modifications and nanosheet thickness on the electronic and magnetic properties of gallium nitride (GaN) nanosheets (NSs). Unlike the bare GaN NSs terminating with polar surfaces, the systems with hydrogenated Ga (H-GaN), fluorinated Ga (F-GaN), and chlorinated Ga (Cl-GaN) preserve their initial wurtzite structures and exhibit ferromagnetic states. The abovementioned three different decorations on Ga atoms are energetically more favorable for thicker GaN NSs. Moreover, as the thickness increases, H-GaN and F-GaN NSs undergo semiconductor to metal and half-metal to metal transition, respectively, while Cl-GaN NSs remain completely metallic. The predicted diverse and tunable electronic and magnetic properties highlight the potential of GaN NSs for novel electronic and spintronic nanodevices.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haker, C.D.; Rix, G.J.; Lai, C.G.

The seismic stability of municipal solid waste (MSW) landfills is often a significant consideration in landfill design. However, until recently, the dynamic properties of the waste material itself, which govern the seismic response of MSW landfills, have often been approximated or assumed. Tests to determine the dynamic properties of the material directly have been limited. Measurements of seismic surface waves were used to determine the dynamic properties of MSW, which are the initial tangent shear modulus and low-strain hysteretic damping ratio. Surface wave tests were performed at three MSW landfills to determine their shear modulus and damping ratio profiles. Surfacemore » wave tests are ideal for measuring the near-surface shear modulus and damping profiles of MSW landfills because the tests are non-invasive, an advantage for testing environmentally sensitive waste material. Factors which influence the dynamic properties of waste including density, confinement, age, and placement techniques are used to interpret the measured shear modulus and damping ratio profiles.« less

A submicron device to rectify a square-wave angular velocity.

PubMed

Moradian, A; Miri, M F

2011-02-01

We study a system composed of two thick dielectric disks separated by a thin layer of an electrolyte solution. Initially both plates have the same surface charge distribution. The surface charge distribution has no rotational symmetry. We show that the top plate experiences a torque [Formula: see text]([Formula: see text]) if it rotates about its axis by an angle [Formula: see text] . The torque can be controlled by varying the electrolyte concentration, the separation and the surface charge density of the plates. For a specific example of charged rods attached to the plates, we find [Formula: see text]([Formula: see text]) [Formula: see text] sin(4[Formula: see text]) . We also study the dynamics of the system. We consider the case where the angular velocity of the bottom disk is a square-wave signal. We find that the average angular velocity of the top disk is not zero.

Electrical characteristics and thermal stability of HfO{sub 2} metal-oxide-semiconductor capacitors fabricated on clean reconstructed GaSb surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miyata, Noriyuki, E-mail: nori.miyata@aist.go.jp; Mori, Takahiro; Yasuda, Tetsuji

2014-06-09

HfO{sub 2}/GaSb interfaces fabricated by high-vacuum HfO{sub 2} deposition on clean reconstructed GaSb surfaces were examined to explore a thermally stable GaSb metal-oxide-semiconductor structure with low interface-state density (D{sub it}). Interface Sb-O bonds were electrically and thermally unstable, and post-metallization annealing at temperatures higher than 200 °C was required to stabilize the HfO{sub 2}/GaSb interfaces. However, the annealing led to large D{sub it} in the upper-half band gap. We propose that the decomposition products that are associated with elemental Sb atoms act as interface states, since a clear correlation between the D{sub it} and the Sb coverage on the initial GaSbmore » surfaces was observed.« less

Nanocolumnar coatings with selective behavior towards osteoblast and Staphylococcus aureus proliferation.

PubMed

Izquierdo-Barba, Isabel; García-Martín, José Miguel; Álvarez, Rafael; Palmero, Alberto; Esteban, Jaime; Pérez-Jorge, Concepción; Arcos, Daniel; Vallet-Regí, María

2015-03-01

Bacterial colonization and biofilm formation on orthopedic implants is one of the worst scenarios in orthopedic surgery, in terms of both patient prognosis and healthcare costs. Tailoring the surfaces of implants at the nanoscale to actively promote bone bonding while avoiding bacterial colonization represents an interesting challenge to achieving better clinical outcomes. Herein, a Ti6Al4V alloy of medical grade has been coated with Ti nanostructures employing the glancing angle deposition technique by magnetron sputtering. The resulting surfaces have a high density of nanocolumnar structures, which exhibit strongly impaired bacterial adhesion that inhibits biofilm formation, while osteoblasts exhibit good cell response with similar behavior to the initial substrates. These results are discussed on the basis of a "lotus leaf effect" induced by the surface nanostructures and the different sizes and biological characteristics of osteoblasts and Staphylococcus aureus. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H2 on Ag(111)

NASA Astrophysics Data System (ADS)

Maurer, Reinhard J.; Jiang, Bin; Guo, Hua; Tully, John C.

2017-06-01

Electronic friction and the ensuing nonadiabatic energy loss play an important role in chemical reaction dynamics at metal surfaces. Using molecular dynamics with electronic friction evaluated on the fly from density functional theory, we find strong mode dependence and a dominance of nonadiabatic energy loss along the bond stretch coordinate for scattering and dissociative chemisorption of H2 on the Ag(111) surface. Exemplary trajectories with varying initial conditions indicate that this mode specificity translates into modulated energy loss during a dissociative chemisorption event. Despite minor nonadiabatic energy loss of about 5%, the directionality of friction forces induces dynamical steering that affects individual reaction outcomes, specifically for low-incidence energies and vibrationally excited molecules. Mode-specific friction induces enhanced loss of rovibrational rather than translational energy and will be most visible in its effect on final energy distributions in molecular scattering experiments.

Soil sealing and vesicular layer formation as initial structure development and its effect on infiltration

NASA Astrophysics Data System (ADS)

Badorreck, A.; Gerke, H. H.; Weller, U.; Vontobel, P.

2009-04-01

In the Lusatia mining district (NE-Germany) an artificial catchment was constructed to study initial ecosystem development and runoff generation. As a key process in this early stage, we investigate the surface structure dynamics as it strongly influences erosion, infiltration, matter dynamics, and vegetation establishment. The presented work focuses on observations of soil pore structure formation at the surface at five sites in the catchment and in an adjacent "younger" area composed of comparable sediments. Moreover we've conducted infiltration experiments in the lab and field to relate the soil pore structure to the hydraulic properties. The surface soil was sampled in cylindrical rings (10 cm³) down to 2 cm depth from which bulk density profiles were obtained using X-ray computed tomography (CT) (at UFZ- Halle, Germany) with a resolution of 0.084 mm. The influence of structure on infiltration was investigated using neutron radiography (at the NEUTRA facility of the Paul-Scherrer-Institut, Villigen, Switzerland) to visualise two-dimensional (2D) infiltration patterns. The slab-type samples were equilibrated to different initial water contents and then exposed to drip irrigation (to simulate rainfall) while a series of neutron radiographs were taken. In addition, field measurements with a miniature tension infiltrometer were conduced. The micro-tomographies exhibit formation of surface sealing whose thickness and intensity vary with silt and clay content. The CT images show several coarser- and finer-textured micro-layers at the sample surfaces that were formed as a consequence of repeated washing in of finer particles in underlying coarser sediment. In micro-depressions, the uppermost layers consist of sorted fine sand and silt due to wind erosion. Similar as for desert pavements, a vesicular pore structure developed in these sediments on top, but also scattered in fine sand- and silt-enriched micro-layers. The infiltration rates were severely affected by the surface crusts; however, the rates were independent of the vesicular pore layer.

Equation of state, initiation, and detonation of pure ammonium nitrate

NASA Astrophysics Data System (ADS)

Robbins, D. L.; Sheffield, S. A.; Dattelbaum, D. M.; Velisavljevic, N.; Stahl, D. B.

2009-06-01

Ammonium nitrate (AN) is a widely used fertilizer and mining explosive throughout the world. One of the more common explosives using AN is called ANFO, a mixture of AN prills and fuel oil in a 94:6 ratio by weight. The AN prills are specially made to absorb the fuel oil, forming a mixture that reacts under shock loading through a diffusion-controlled process, resulting in a non-ideal explosive with detonation velocities around 4 km/s. While there are a number of studies on ANFO, there are only a few studies relating to the equation of state (EOS) and detonation properties of pure AN - resulting mainly from studies of accidents that have occurred during transportation of large quantities of AN. We present the results of a series of gas gun-driven plate impact experiments on pressed AN ranging in density from 1.72 to 0.9 g/cm^3. Several of the high density experiments were performed in front surface impact geometry, in which pressed AN disks were built into the projectile front and impacted onto LiF windows. Additional experiments at low density have been done in ``half cell'' multiple magnetic gauge gun experiments. From this work a complete unreacted EOS has been developed, as well as some initiation and detonation information. Additional high pressure x-ray diffraction experiments in diamond anvil cells have provided a static isotherm for AN.

Low capping group surface density on zinc oxide nanocrystals.

PubMed

Valdez, Carolyn N; Schimpf, Alina M; Gamelin, Daniel R; Mayer, James M

2014-09-23

The ligand shell of colloidal nanocrystals can dramatically affect their stability and reaction chemistry. We present a methodology to quantify the dodecylamine (DDA) capping shell of colloidal zinc oxide nanocrystals in a nonpolar solvent. Using NMR spectroscopy, three different binding regimes are observed: strongly bound, weakly associated, and free in solution. The surface density of bound DDA is constant over a range of nanocrystal sizes, and is low compared to both predictions of the number of surface cations and maximum coverages of self-assembled monolayers. The density of strongly bound DDA ligands on the as-prepared ZnO NCs is 25% of the most conservative estimate of the maximum surface DDA density. Thus, these NCs do not resemble the common picture of a densely capped surface ligand layer. Annealing the ZnO NCs in molten DDA for 12 h at 160 °C, which is thought to remove surface hydroxide groups, resulted in a decrease of the weakly associated DDA and an increase in the density of strongly bound DDA, to ca. 80% of the estimated density of a self-assembled monolayer on a flat ZnO surface. These findings suggest that as-prepared nanocrystal surfaces contain hydroxide groups (protons on the ZnO surfaces) that inhibit strong binding of DDA.

The Contribution of Soil Moisture Information to Forecast Skill: Two Studies

NASA Technical Reports Server (NTRS)

Koster, Randal

2010-01-01

This talk briefly describes two recent studies on the impact of soil moisture information on hydrological and meteorological prediction. While the studies utilize soil moisture derived from the integration of large-scale land surface models with observations-based meteorological data, the results directly illustrate the potential usefulness of satellite-derived soil moisture information (e.g., from SMOS and SMAP) for applications in prediction. The first study, the GEWEX- and ClIVAR-sponsored GLACE-2 project, quantifies the contribution of realistic soil moisture initialization to skill in subseasonal forecasts of precipitation and air temperature (out to two months). The multi-model study shows that soil moisture information does indeed contribute skill to the forecasts, particularly for air temperature, and particularly when the initial local soil moisture anomaly is large. Furthermore, the skill contributions tend to be larger where the soil moisture initialization is more accurate, as measured by the density of the observational network contributing to the initialization. The second study focuses on streamflow prediction. The relative contributions of snow and soil moisture initialization to skill in streamflow prediction at seasonal lead, in the absence of knowledge of meteorological anomalies during the forecast period, were quantified with several land surface models using uniquely designed numerical experiments and naturalized streamflow data covering mUltiple decades over the western United States. In several basins, accurate soil moisture initialization is found to contribute significant levels of predictive skill. Depending on the date of forecast issue, the contributions can be significant out to leads of six months. Both studies suggest that improvements in soil moisture initialization would lead to increases in predictive skill. The relevance of SMOS and SMAP satellite-based soil moisture information to prediction are discussed in the context of these studies.

Constraining storm-scale forecasts of deep convective initiation with surface weather observations

NASA Astrophysics Data System (ADS)

Madaus, Luke

Successfully forecasting when and where individual convective storms will form remains an elusive goal for short-term numerical weather prediction. In this dissertation, the convective initiation (CI) challenge is considered as a problem of insufficiently resolved initial conditions and dense surface weather observations are explored as a possible solution. To better quantify convective-scale surface variability in numerical simulations of discrete convective initiation, idealized ensemble simulations of a variety of environments where CI occurs in response to boundary-layer processes are examined. Coherent features 1-2 hours prior to CI are found in all surface fields examined. While some features were broadly expected, such as positive temperature anomalies and convergent winds, negative temperature anomalies due to cloud shadowing are the largest surface anomaly seen prior to CI. Based on these simulations, several hypotheses about the required characteristics of a surface observing network to constrain CI forecasts are developed. Principally, these suggest that observation spacings of less than 4---5 km would be required, based on correlation length scales. Furthermore, it is anticipated that 2-m temperature and 10-m wind observations would likely be more relevant for effectively constraining variability than surface pressure or 2-m moisture observations based on the magnitudes of observed anomalies relative to observation error. These hypotheses are tested with a series of observing system simulation experiments (OSSEs) using a single CI-capable environment. The OSSE results largely confirm the hypotheses, and with 4-km and particularly 1-km surface observation spacing, skillful forecasts of CI are possible, but only within two hours of CI time. Several facets of convective-scale assimilation, including the need for properly-calibrated localization and problems from non-Gaussian ensemble estimates of the cloud field are discussed. Finally, the characteristics of one candidate dense surface observing network are examined: smartphone pressure observations. Available smartphone pressure observations (and 1-hr pressure tendency observations) are tested by assimilating them into convective-allowing ensemble forecasts for a three-day active convective period in the eastern United States. Although smartphone observations contain noise and internal disagreement, they are effective at reducing short-term forecast errors in surface pressure, wind and precipitation. The results suggest that smartphone pressure observations could become a viable mesoscale observation platform, but more work is needed to enhance their density and reduce error. This work concludes by reviewing and suggesting other novel candidate observation platforms with a potential to improve convective-scale forecasts of CI.

Role of Multicellular Aggregates in Biofilm Formation

PubMed Central

Kragh, Kasper N.; Hutchison, Jaime B.; Melaugh, Gavin; Rodesney, Chris; Roberts, Aled E. L.; Irie, Yasuhiko; Jensen, Peter Ø.; Diggle, Stephen P.; Allen, Rosalind J.

2016-01-01

ABSTRACT In traditional models of in vitro biofilm development, individual bacterial cells seed a surface, multiply, and mature into multicellular, three-dimensional structures. Much research has been devoted to elucidating the mechanisms governing the initial attachment of single cells to surfaces. However, in natural environments and during infection, bacterial cells tend to clump as multicellular aggregates, and biofilms can also slough off aggregates as a part of the dispersal process. This makes it likely that biofilms are often seeded by aggregates and single cells, yet how these aggregates impact biofilm initiation and development is not known. Here we use a combination of experimental and computational approaches to determine the relative fitness of single cells and preformed aggregates during early development of Pseudomonas aeruginosa biofilms. We find that the relative fitness of aggregates depends markedly on the density of surrounding single cells, i.e., the level of competition for growth resources. When competition between aggregates and single cells is low, an aggregate has a growth disadvantage because the aggregate interior has poor access to growth resources. However, if competition is high, aggregates exhibit higher fitness, because extending vertically above the surface gives cells at the top of aggregates better access to growth resources. Other advantages of seeding by aggregates, such as earlier switching to a biofilm-like phenotype and enhanced resilience toward antibiotics and immune response, may add to this ecological benefit. Our findings suggest that current models of biofilm formation should be reconsidered to incorporate the role of aggregates in biofilm initiation. PMID:27006463

Surface alloying of aluminum with molybdenum by high-current pulsed electron beam

NASA Astrophysics Data System (ADS)

Xia, Han; Zhang, Conglin; Lv, Peng; Cai, Jie; Jin, Yunxue; Guan, Qingfeng

2018-02-01

The surface alloying of pre-coated molybdenum (Mo) film on aluminum (Al) substrate by high-current pulsed electron beam (HCPEB) was investigated. The microstructure and phase analysis were conducted by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results show that Mo particles were dissolved into Al matrix to form alloying layer, which was composed of Mo, Al and acicular or equiaxed Al5Mo phases after surface alloying. Meanwhile, various structure defects such as dislocation loops, high-density dislocations and dislocation walls were observed in the alloying surface. The corrosion resistance was tested by using potentiodynamic polarization curves and electrochemical impedance spectra (EIS). Electrochemical results indicate that all the alloying samples had better corrosion resistance in 3.5 wt% NaCl solution compared to initial sample. The excellent corrosion resistance is mainly attributed to the combined effect of the structure defects and the addition of Mo element to form a more stable passive film.

Impact of local electrostatic field rearrangement on field ionization

NASA Astrophysics Data System (ADS)

Katnagallu, Shyam; Dagan, Michal; Parviainen, Stefan; Nematollahi, Ali; Grabowski, Blazej; Bagot, Paul A. J.; Rolland, Nicolas; Neugebauer, Jörg; Raabe, Dierk; Vurpillot, François; Moody, Michael P.; Gault, Baptiste

2018-03-01

Field ion microscopy allows for direct imaging of surfaces with true atomic resolution. The high charge density distribution on the surface generates an intense electric field that can induce ionization of gas atoms. We investigate the dynamic nature of the charge and the consequent electrostatic field redistribution following the departure of atoms initially constituting the surface in the form of an ion, a process known as field evaporation. We report on a new algorithm for image processing and tracking of individual atoms on the specimen surface enabling quantitative assessment of shifts in the imaged atomic positions. By combining experimental investigations with molecular dynamics simulations, which include the full electric charge, we confirm that change is directly associated with the rearrangement of the electrostatic field that modifies the imaging gas ionization zone. We derive important considerations for future developments of data reconstruction in 3D field ion microscopy, in particular for precise quantification of lattice strains and characterization of crystalline defects at the atomic scale.

A novel approach for UV-patterning with binary polymer brushes.

PubMed

Li, Lifu; Nakaji-Hirabayashi, Tadashi; Kitano, Hiromi; Ohno, Kohji; Saruwatari, Yoshiyuki; Matsuoka, Kazuyoshi

2018-01-01

A mixed self-assembled monolayer (SAM) of an initiator (3-(2-bromo-2-isobutyryloxy)propyl triethoxysilane) for atom transfer radical polymerization (ATRP) and an agent (6-(triethoxysilyl)hexyl 2-(((methylthio)carbonothioyl)thio)-2-phenylacetate) for reversible addition-fragmentation chain transfer (RAFT) polymerization was constructed on the surface of a silicon wafer or glass plate by a silane coupling reaction. When a UV light at 254nm was irradiated at the mixed SAM through a photomask, the surface density of the bromine atom at the end of BPE in the irradiated region was drastically reduced by UV-driven scission of the BrC bond, as observed by X-ray photoelectron spectroscopy. Consequently, the surface-initiated (SI)-ATRP of 2-ethylhexyl methacrylate (EHMA) was used to easily construct the poly(EHMA) (PEHMA) brush domain. Subsequently, SI-RAFT polymerization of a zwitterionic vinyl monomer, carboxymethyl betaine (CMB), was performed. Using the sequential polymerization, the PCMB and PEHMA brush domains on the solid substrate could be very easily patterned. Patterning proteins and cells with the binary polymer brush is expected because the PCMB brush indicated strong suppression of protein adsorption and cell adhesion, and the PEHMA brush had non-polar properties. This technique is very simple and useful for regulating the shape and size of bio-fouling and anti-biofouling domains on solid surfaces. Copyright © 2017 Elsevier B.V. All rights reserved.

Metastability and avalanche dynamics in strongly correlated gases with long-range interactions

NASA Astrophysics Data System (ADS)

Hruby, Lorenz; Dogra, Nishant; Landini, Manuele; Donner, Tobias; Esslinger, Tilman

2018-03-01

We experimentally study the stability of a bosonic Mott insulator against the formation of a density wave induced by long-range interactions and characterize the intrinsic dynamics between these two states. The Mott insulator is created in a quantum degenerate gas of 87-Rubidium atoms, trapped in a 3D optical lattice. The gas is located inside and globally coupled to an optical cavity. This causes interactions of global range, mediated by photons dispersively scattered between a transverse lattice and the cavity. The scattering comes with an atomic density modulation, which is measured by the photon flux leaking from the cavity. We initialize the system in a Mott-insulating state and then rapidly increase the global coupling strength. We observe that the system falls into either of two distinct final states. One is characterized by a low photon flux, signaling a Mott insulator, and the other is characterized by a high photon flux, which we associate with a density wave. Ramping the global coupling slowly, we observe a hysteresis loop between the two states—a further signature of metastability. A comparison with a theoretical model confirms that the metastability originates in the competition between short- and global-range interactions. From the increasing photon flux monitored during the switching process, we find that several thousand atoms tunnel to a neighboring site on the timescale of the single-particle dynamics. We argue that a density modulation, initially forming in the compressible surface of the trapped gas, triggers an avalanche tunneling process in the Mott-insulating region.

Atmospheric density (surface). [distribution with altitude at launching bases

NASA Technical Reports Server (NTRS)

Daniels, G. E.; Brown, S. C.

1973-01-01

The variation of the density of the atmosphere at the surface from the average for any one station, and between the areas of interest, is small and should have no important effect on preflight spacecraft operations. The median density at the surface for five test ranges is given.

STIR Proposal For Research Area 2.1.2 Surface Energy Balance: Transient Soil Density Impacts Land Surface Characteristics and Characterization

DTIC Science & Technology

2015-12-22

not shown). The relatively small differences were likely associated with differences in surface albedo and longwave radiation from soil surface. Ground...SECURITY CLASSIFICATION OF: Soil density is commonly treated as static in studies on land surface property dynamics. Magnitudes of errors associated...with this assumption are largely unknown. Objectives of this preliminary investigation were to: i) quantify effects of soil density variation on soil