Quantum chaos on a critical Fermi surface.

PubMed

Patel, Aavishkar A; Sachdev, Subir

2017-02-21

We compute parameters characterizing many-body quantum chaos for a critical Fermi surface without quasiparticle excitations. We examine a theory of [Formula: see text] species of fermions at nonzero density coupled to a [Formula: see text] gauge field in two spatial dimensions and determine the Lyapunov rate and the butterfly velocity in an extended random-phase approximation. The thermal diffusivity is found to be universally related to these chaos parameters; i.e., the relationship is independent of [Formula: see text], the gauge-coupling constant, the Fermi velocity, the Fermi surface curvature, and high-energy details.

Compressible or incompressible blend of interacting monodisperse star and linear polymers near a surface.

PubMed

Batman, Richard; Gujrati, P D

2008-03-28

We consider a lattice model of a mixture of repulsive, attractive, or neutral monodisperse star (species A) and linear (species B) polymers with a third monomeric species C, which may represent free volume. The mixture is next to a hard, infinite plate whose interactions with A and C can be attractive, repulsive, or neutral. These two interactions are the only parameters necessary to specify the effect of the surface on all three components. We numerically study monomer density profiles using the method of Gujrati and Chhajer that has already been previously applied to study polydisperse and monodisperse linear-linear blends next to surfaces. The resulting density profiles always show an enrichment of linear polymers in the immediate vicinity of the surface due to entropic repulsion of the star core. However, the integrated surface excess of star monomers is sometimes positive, indicating an overall enrichment of stars. This excess increases with the number of star arms only up to a certain critical number and decreases thereafter. The critical arm number increases with compressibility (bulk concentration of C). The method of Gujrati and Chhajer is computationally ultrafast and can be carried out on a personal computer (PC), even in the incompressible case, when simulations are unfeasible. Calculations of density profiles usually take less than 20 min on PCs.

Nucleation and growth of Ag on Sb-terminated Ge( 1 0 0 )

NASA Astrophysics Data System (ADS)

Chan, L. H.; Altman, E. I.

2002-06-01

The effect of Sb on Ag growth on Ge(1 0 0) was characterized using scanning tunneling microscopy, low energy electron diffraction, and Auger electron spectroscopy. Silver was found to immediately form three-dimensional clusters on the Sb-covered surface over the entire temperature range studied (320-570 K), thus the growth was Volmer-Weber. Regardless of the deposition conditions, there was no evidence that Sb segregated to the Ag surface, despite Sb having a lower surface tension than either Ag or Ge. The failure of Sb to segregate to the surface could be understood in terms of the much stronger interaction between Sb and Ge versus Ag and Ge creating a driving force to maintain an Sb-Ge interface. Silver nucleation on Sb/Ge(1 0 0) was characterized by measuring the Ag cluster density as a function of deposition rate. The results revealed that the cluster density was nearly independent of the deposition rate below 420 K, indicating that heterogeneous nucleation at defects in the Sb-terminated surface competed with homogeneous nucleation. At higher temperatures, the defects were less effective in trapping diffusing Ag atoms and the dependence of the cluster density on deposition rate suggested a critical size of at least two. For temperatures above 420 K, the Ag diffusion barrier plus the dissociation energy of the critical cluster was estimated by measuring the cluster density as a function of temperature; the results suggested a value of 0.84±0.1 eV which is significantly higher than values reported for Ag nucleation on Sb-free surfaces. In comparison to the bare Ge surface, Ag formed a higher density of smaller, lower clusters when Sb was present. Below 420 K the higher cluster density could be attributed to nucleation at defects in the Sb layer while at higher temperatures the high diffusion barrier restricted the cluster size and density. Although Sb does not act as a surfactant in this system since it does not continuously float to the surface and the growth is not layer-by-layer, adding Sb was found to be useful in limiting the Ag cluster size and height which led to smoother, more continuous Ag films and in preventing the formation of metastable Ag-Ge surface alloys.

Can we approach the gas-liquid critical point using slab simulations of two coexisting phases?

PubMed

Goujon, Florent; Ghoufi, Aziz; Malfreyt, Patrice; Tildesley, Dominic J

2016-09-28

In this paper, we demonstrate that it is possible to approach the gas-liquid critical point of the Lennard-Jones fluid by performing simulations in a slab geometry using a cut-off potential. In the slab simulation geometry, it is essential to apply an accurate tail correction to the potential energy, applied during the course of the simulation, to study the properties of states close to the critical point. Using the Janeček slab-based method developed for two-phase Monte Carlo simulations [J. Janec̆ek, J. Chem. Phys. 131, 6264 (2006)], the coexisting densities and surface tension in the critical region are reported as a function of the cutoff distance in the intermolecular potential. The results obtained using slab simulations are compared with those obtained using grand canonical Monte Carlo simulations of isotropic systems and the finite-size scaling techniques. There is a good agreement between these two approaches. The two-phase simulations can be used in approaching the critical point for temperatures up to 0.97 T C ∗ (T ∗ = 1.26). The critical-point exponents describing the dependence of the density, surface tension, and interfacial thickness on the temperature are calculated near the critical point.

Local stability of galactic discs in modified dynamics

NASA Astrophysics Data System (ADS)

Shenavar, Hossein; Ghafourian, Neda

2018-04-01

The local stability of stellar and fluid discs, under a new modified dynamical model, is surveyed by using WKB approximation. The exact form of the modified Toomre criterion is derived for both types of systems and it is shown that the new model is, in all situations, more locally stable than Newtonian model. In addition, it has been proved that the central surface density of the galaxies plays an important role in the local stability in the sense that low surface brightness (LSB) galaxies are more stable than high surface brightness (HSBs). Furthermore, the growth rate in the new model is found to be lower than the Newtonian one. We found that, according to this model, the local instability is related to the ratio of surface density of the disc to a critical surface density Σcrit. We provide observational evidence to support this result based on star formation rate in HSBs and LSBs.

Design of Supercapacitor Electrodes Using Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Bo, Zheng; Li, Changwen; Yang, Huachao; Ostrikov, Kostya; Yan, Jianhua; Cen, Kefa

2018-06-01

Electric double-layer capacitors (EDLCs) are advanced electrochemical devices for energy storage and have attracted strong interest due to their outstanding properties. Rational optimization of electrode-electrolyte interactions is of vital importance to enhance device performance for practical applications. Molecular dynamics (MD) simulations could provide theoretical guidelines for the optimal design of electrodes and the improvement of capacitive performances, e.g., energy density and power density. Here we discuss recent MD simulation studies on energy storage performance of electrode materials containing porous to nanostructures. The energy storage properties are related to the electrode structures, including electrode geometry and electrode modifications. Altering electrode geometry, i.e., pore size and surface topography, can influence EDL capacitance. We critically examine different types of electrode modifications, such as altering the arrangement of carbon atoms, doping heteroatoms and defects, which can change the quantum capacitance. The enhancement of power density can be achieved by the intensified ion dynamics and shortened ion pathway. Rational control of the electrode morphology helps improve the ion dynamics by decreasing the ion diffusion pathway. Tuning the surface properties (e.g., the affinity between the electrode and the ions) can affect the ion-packing phenomena. Our critical analysis helps enhance the energy and power densities of EDLCs by modulating the corresponding electrode structures and surface properties.[Figure not available: see fulltext.

Adsorption of Poly(methyl methacrylate) on Concave Al2O3 Surfaces in Nanoporous Membranes

PubMed Central

Nunnery, Grady; Hershkovits, Eli; Tannenbaum, Allen; Tannenbaum, Rina

2009-01-01

The objective of this study was to determine the influence of polymer molecular weight and surface curvature on the adsorption of polymers onto concave surfaces. Poly(methyl methacrylate) (PMMA) of various molecular weights was adsorbed onto porous aluminum oxide membranes having various pore sizes, ranging from 32 to 220 nm. The surface coverage, expressed as repeat units per unit surface area, was observed to vary linearly with molecular weight for molecular weights below ~120 000 g/mol. The coverage was independent of molecular weight above this critical molar mass, as was previously reported for the adsorption of PMMA on convex surfaces. Furthermore, the coverage varied linearly with pore size. A theoretical model was developed to describe curvature-dependent adsorption by considering the density gradient that exists between the surface and the edge of the adsorption layer. According to this model, the density gradient of the adsorbed polymer segments scales inversely with particle size, while the total coverage scales linearly with particle size, in good agreement with experiment. These results show that the details of the adsorption of polymers onto concave surfaces with cylindrical geometries can be used to calculate molecular weight (below a critical molecular weight) if pore size is known. Conversely, pore size can also be determined with similar adsorption experiments. Most significantly, for polymers above a critical molecular weight, the precise molecular weight need not be known in order to determine pore size. Moreover, the adsorption developed and validated in this work can be used to predict coverage also onto surfaces with different geometries. PMID:19415910

Flux pinning characteristics in cylindrical ingot niobium used in superconducting radio frequency cavity fabrication

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

Dhavale Ashavai, Pashupati Dhakal, Anatolii A Polyanskii, Gianluigi Ciovati

We present the results of from DC magnetization and penetration depth measurements of cylindrical bulk large-grain (LG) and fine-grain (FG) niobium samples used for the fabrication of superconducting radio frequency (SRF) cavities. The surface treatment consisted of electropolishing and low temperature baking as they are typically applied to SRF cavities. The magnetization data were fitted using a modified critical state model. The critical current density Jc and pinning force Fp are calculated from the magnetization data and their temperature dependence and field dependence are presented. The LG samples have lower critical current density and pinning force density compared to FGmore » samples which implies a lower flux trapping efficiency. This effect may explain the lower values of residual resistance often observed in LG cavities than FG cavities.« less

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

Marshall, Margaret A.

In the early 1970s Dr. John T. Mihalczo (team leader), J.J. Lynn, and J.R. Taylor performed experiments at the Oak Ridge Critical Experiments Facility (ORCEF) with highly enriched uranium (HEU) metal (called Oak Ridge Alloy or ORALLOY) in an effort to recreate GODIVA I results with greater accuracy than those performed at Los Alamos National Laboratory in the 1950s. The purpose of the Oak Ridge ORALLOY Sphere (ORSphere) experiments was to estimate the unreflected and unmoderated critical mass of an idealized sphere of uranium metal corrected to a density, purity, and enrichment such that it could be compared with themore » GODIVA I experiments. Additionally, various material reactivity worths, the surface material worth coefficient, the delayed neutron fraction, the prompt neutron decay constant, relative fission density, and relative neutron importance were all measured. The critical assembly, material reactivity worths, the surface material worth coefficient, and the delayed neutron fraction were all evaluated as benchmark experiment measurements. The reactor physics measurements are the focus of this paper; although for clarity the critical assembly benchmark specifications are briefly discussed.« less

Reactor Physics Measurements and Benchmark Specifications for Oak Ridge Highly Enriched Uranium Sphere (ORSphere)

DOE PAGES

Marshall, Margaret A.

2014-11-04

In the early 1970s Dr. John T. Mihalczo (team leader), J.J. Lynn, and J.R. Taylor performed experiments at the Oak Ridge Critical Experiments Facility (ORCEF) with highly enriched uranium (HEU) metal (called Oak Ridge Alloy or ORALLOY) in an effort to recreate GODIVA I results with greater accuracy than those performed at Los Alamos National Laboratory in the 1950s. The purpose of the Oak Ridge ORALLOY Sphere (ORSphere) experiments was to estimate the unreflected and unmoderated critical mass of an idealized sphere of uranium metal corrected to a density, purity, and enrichment such that it could be compared with themore » GODIVA I experiments. Additionally, various material reactivity worths, the surface material worth coefficient, the delayed neutron fraction, the prompt neutron decay constant, relative fission density, and relative neutron importance were all measured. The critical assembly, material reactivity worths, the surface material worth coefficient, and the delayed neutron fraction were all evaluated as benchmark experiment measurements. The reactor physics measurements are the focus of this paper; although for clarity the critical assembly benchmark specifications are briefly discussed.« less

Spatial distribution of the wave field of the surface modes sustaining filamentary discharges

NASA Astrophysics Data System (ADS)

Lishev, St.; Shivarova, A.; Tarnev, Kh.

2008-01-01

The study presents the electrodynamical description of surface-wave-sustained discharges contracted in filamentary structures. The results are for the spatial distribution of the wave field and for the wave propagation characteristics obtained from a two-dimensional model developed for describing surface-wave behavior in plasmas with an arbitrary distribution of the plasma density. In accordance with the experimental observations of filamentary discharges, the plasma density distribution considered is completed by cylindrically shaped gas-discharge channels extended along the discharge length and positioned in the out-of-center region of the discharge, equidistantly in an azimuthal direction. Due to the two-dimensional inhomogeneity of the plasma density of the filamentary structure, the eigen surface mode of the structure is a hybrid wave, with all—six—field components. For identification of its behavior, the surface wave properties in the limiting cases of a plasma ring and a single filament—both radially inhomogeneous—are involved in the discussions. The presentation of the results is for filamentary structures with a decreasing number of filaments (from 10 to 2) starting with the plasma ring, the latter supporting propagation of an azimuthally symmetric wave. Due to the resonance absorption of the surface waves, always present because of the smooth variation of the plasma density, the contours of the critical density are those guiding the surface wave propagation. Decreasing number of filaments in the structure leads to localization of the amplitudes of the wave-field components around the filaments. By analogy with the spatial distribution of the wave field in the plasma ring, the strong resonance enhancement of the wave-field components is along that part of the contour of the critical density which is far off the center of the filamentary structure. The analysis of the spatial distribution of the field components of the filamentary structure shows that the hybrid wave is an eigenmode of the whole structure, i.e., the wave field does not appear as a superposition of fields of eigenmodes of the separated filaments completing it. It is stressed that the spatial distribution of the field components of the eigen hybrid mode of the filamentary structure has an azimuthally symmetric background field.

The post-pinatubo evolution of stratospheric aerosol surface area density as inferred from SAGE 2

NASA Technical Reports Server (NTRS)

Poole, L. R.; Thomason, L. W.

1994-01-01

Following the eruption of Mount Pinatubo in June of 1991, the aerosol mass loading of the stratosphere increased from -1 Mt to approximately 30 Mt. This change in aerosol loading was responsible for numerous radiative and chemical changes observed within the stratosphere. As a result, the ability to quantify aerosol properties on a global basis during this period is important. Aerosol surface area density is a critical parameter in governing the rates of heterogeneous reactions, such as ClONO2 plus H2O yields HNO3 plus HOCl, which influence the stratospheric abundance of ozone. Following the eruption of Mt. Pinatubo, measurements by the Stratospheric Aerosol and Gas Experiment (SAGE 2) indicated that the stratospheric aerosol surface area density increased by as much as a factor of 100. Using SAGE 2 multi-wavelength aerosol extinction data, aerosol surface area density as well as mass are derived for the period following the eruption of Mt. Pinatubo through the present.

A Monte Carlo Sensitivity Analysis of CF2 and CF Radical Densities in a c-C4F8 Plasma

NASA Technical Reports Server (NTRS)

Bose, Deepak; Rauf, Shahid; Hash, D. B.; Govindan, T. R.; Meyyappan, M.

2004-01-01

A Monte Carlo sensitivity analysis is used to build a plasma chemistry model for octacyclofluorobutane (c-C4F8) which is commonly used in dielectric etch. Experimental data are used both quantitatively and quantitatively to analyze the gas phase and gas surface reactions for neutral radical chemistry. The sensitivity data of the resulting model identifies a few critical gas phase and surface aided reactions that account for most of the uncertainty in the CF2 and CF radical densities. Electron impact dissociation of small radicals (CF2 and CF) and their surface recombination reactions are found to be the rate-limiting steps in the neutral radical chemistry. The relative rates for these electron impact dissociation and surface recombination reactions are also suggested. The resulting mechanism is able to explain the measurements of CF2 and CF densities available in the literature and also their hollow spatial density profiles.

Impact of stratospheric aircraft on calculations of nitric acid trihydrate cloud surface area densities using NMC temperatures and 2D model constituent distributions

NASA Technical Reports Server (NTRS)

Considine, David B.; Douglass, Anne R.

1994-01-01

A parameterization of NAT (nitric acid trihydrate) clouds is developed for use in 2D models of the stratosphere. The parameterization uses model distributions of HNO3 and H2O to determine critical temperatures for NAT formation as a function of latitude and pressure. National Meteorological Center temperature fields are then used to determine monthly temperature frequency distributions, also as a function of latitude and pressure. The fractions of these distributions which fall below the critical temperatures for NAT formation are then used to determine the NAT cloud surface area density for each location in the model grid. By specifying heterogeneous reaction rates as functions of the surface area density, it is then possible to assess the effects of the NAT clouds on model constituent distributions. We also consider the increase in the NAT cloud formation in the presence of a fleet of stratospheric aircraft. The stratospheric aircraft NO(x) and H2O perturbations result in increased HNO3 as well as H2O. This increases the probability of NAT formation substantially, especially if it is assumed that the aircraft perturbations are confined to a corridor region.

Plasma density limits for hole boring by intense laser pulses.

PubMed

Iwata, Natsumi; Kojima, Sadaoki; Sentoku, Yasuhiko; Hata, Masayasu; Mima, Kunioki

2018-02-12

High-power lasers in the relativistic intensity regime with multi-picosecond pulse durations are available in many laboratories around the world. Laser pulses at these intensities reach giga-bar level radiation pressures, which can push the plasma critical surface where laser light is reflected. This process is referred to as the laser hole boring (HB), which is critical for plasma heating, hence essential for laser-based applications. Here we derive the limit density for HB, which is the maximum plasma density the laser can reach, as a function of laser intensity. The time scale for when the laser pulse reaches the limit density is also derived. These theories are confirmed by a series of particle-in-cell simulations. After reaching the limit density, the plasma starts to blowout back toward the laser, and is accompanied by copious superthermal electrons; therefore, the electron energy can be determined by varying the laser pulse length.

Self-generated concentration and modulus gradient coating design to protect Si nano-wire electrodes during lithiation

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

Kim, Sung-Yup; Ostadhossein, Alireza; van Duin, Adri C. T.

2016-01-01

Surface coatings as artificial solid electrolyte interphases have been actively pursued as an effective way to improve the cycle efficiency of nanostructured Si electrodes for high energy density lithium ion batteries, where the mechanical stability of the surface coatings on Si is as critical as Si itself.

Pathways to dewetting in hydrophobic confinement

PubMed Central

Remsing, Richard C.; Xi, Erte; Vembanur, Srivathsan; Sharma, Sumit; Debenedetti, Pablo G.; Garde, Shekhar; Patel, Amish J.

2015-01-01

Liquid water can become metastable with respect to its vapor in hydrophobic confinement. The resulting dewetting transitions are often impeded by large kinetic barriers. According to macroscopic theory, such barriers arise from the free energy required to nucleate a critical vapor tube that spans the region between two hydrophobic surfaces—tubes with smaller radii collapse, whereas larger ones grow to dry the entire confined region. Using extensive molecular simulations of water between two nanoscopic hydrophobic surfaces, in conjunction with advanced sampling techniques, here we show that for intersurface separations that thermodynamically favor dewetting, the barrier to dewetting does not correspond to the formation of a (classical) critical vapor tube. Instead, it corresponds to an abrupt transition from an isolated cavity adjacent to one of the confining surfaces to a gap-spanning vapor tube that is already larger than the critical vapor tube anticipated by macroscopic theory. Correspondingly, the barrier to dewetting is also smaller than the classical expectation. We show that the peculiar nature of water density fluctuations adjacent to extended hydrophobic surfaces—namely, the enhanced likelihood of observing low-density fluctuations relative to Gaussian statistics—facilitates this nonclassical behavior. By stabilizing isolated cavities relative to vapor tubes, enhanced water density fluctuations thus stabilize novel pathways, which circumvent the classical barriers and offer diminished resistance to dewetting. Our results thus suggest a key role for fluctuations in speeding up the kinetics of numerous phenomena ranging from Cassie–Wenzel transitions on superhydrophobic surfaces, to hydrophobically driven biomolecular folding and assembly. PMID:26100866

Required sample size for monitoring stand dynamics in strict forest reserves: a case study

Treesearch

Diego Van Den Meersschaut; Bart De Cuyper; Kris Vandekerkhove; Noel Lust

2000-01-01

Stand dynamics in European strict forest reserves are commonly monitored using inventory densities of 5 to 15 percent of the total surface. The assumption that these densities guarantee a representative image of certain parameters is critically analyzed in a case study for the parameters basal area and stem number. The required sample sizes for different accuracy and...

Spatial distribution of the wave field of the surface modes sustaining filamentary discharges

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

Lishev, St.; Shivarova, A.; Tarnev, Kh.

2008-01-01

The study presents the electrodynamical description of surface-wave-sustained discharges contracted in filamentary structures. The results are for the spatial distribution of the wave field and for the wave propagation characteristics obtained from a two-dimensional model developed for describing surface-wave behavior in plasmas with an arbitrary distribution of the plasma density. In accordance with the experimental observations of filamentary discharges, the plasma density distribution considered is completed by cylindrically shaped gas-discharge channels extended along the discharge length and positioned in the out-of-center region of the discharge, equidistantly in an azimuthal direction. Due to the two-dimensional inhomogeneity of the plasma density ofmore » the filamentary structure, the eigen surface mode of the structure is a hybrid wave, with all--six--field components. For identification of its behavior, the surface wave properties in the limiting cases of a plasma ring and a single filament--both radially inhomogeneous--are involved in the discussions. The presentation of the results is for filamentary structures with a decreasing number of filaments (from 10 to 2) starting with the plasma ring, the latter supporting propagation of an azimuthally symmetric wave. Due to the resonance absorption of the surface waves, always present because of the smooth variation of the plasma density, the contours of the critical density are those guiding the surface wave propagation. Decreasing number of filaments in the structure leads to localization of the amplitudes of the wave-field components around the filaments. By analogy with the spatial distribution of the wave field in the plasma ring, the strong resonance enhancement of the wave-field components is along that part of the contour of the critical density which is far off the center of the filamentary structure. The analysis of the spatial distribution of the field components of the filamentary structure shows that the hybrid wave is an eigenmode of the whole structure, i.e., the wave field does not appear as a superposition of fields of eigenmodes of the separated filaments completing it. It is stressed that the spatial distribution of the field components of the eigen hybrid mode of the filamentary structure has an azimuthally symmetric background field.« less

Corresponding states law for a generalized Lennard-Jones potential.

PubMed

Orea, P; Romero-Martínez, A; Basurto, E; Vargas, C A; Odriozola, G

2015-07-14

It was recently shown that vapor-liquid coexistence densities derived from Mie and Yukawa models collapse to define a single master curve when represented against the difference between the reduced second virial coefficient at the corresponding temperature and that at the critical point. In this work, we further test this proposal for another generalization of the Lennard-Jones pair potential. This is carried out for vapor-liquid coexistence densities, surface tension, and vapor pressure, along a temperature window set below the critical point. For this purpose, we perform molecular dynamics simulations by varying the potential softness parameter to produce from very short to intermediate attractive ranges. We observed all properties to collapse and yield master curves. Moreover, the vapor-liquid curve is found to share the exact shape of the Mie and attractive Yukawa. Furthermore, the surface tension and the logarithm of the vapor pressure are linear functions of this difference of reduced second virial coefficients.

Electronic Materials and Applications 2014 (Abstracts)

DTIC Science & Technology

2015-04-02

the thermal image using IR camera and surface tempera- ture using thermo couple. Lastly, we conducted a surface coating to change the surface...progress in the superconducting films and coated conductors of iron chalcogenides. With a CeO2 buffer , critical current densities (Jc) over 7 MA/cm2...Roosen, University of Erlangen-Nuremberg, Germany Kato, N. 23-Jan 11:15AM Pacific 11:30 AM (EMA-S1-021-2014) Glass-like Thermal Conductivity of (010

Localized corrosion of 316L stainless steel with SiO2-CaO films obtained by means of sol-gel treatment.

PubMed

Vallet-Regí, M; Izquierdo-Barba, I; Gil, F J

2003-11-01

Sol-gel films on austenitic stainless steel (AISI 316L) polished wafer were prepared from sono-sols obtained from tetraethylorthosilane and hydrated calcium nitrate. However, pitting was observed in different places on the stainless steel surfaces. The corrosion resistance was evaluated by the polarization resistance in simulated body fluid environment at 37 degrees C. The critical current density, the passive current density, the corrosion potential, and the critical pitting potential were studied. The austenitic stainless steel 316L treated presents important electrochemical corrosion and consequently its application as endosseous implants is not possible. Copyright 2003 Wiley Periodicals, Inc.

Effect of Sequence Blockiness on the Morphologies of Surface-grafted Elastin-like Polypeptides

NASA Astrophysics Data System (ADS)

Albert, Julie; Sintavanon, Kornkanok; Mays, Robin; MacEwan, Sarah; Chilkoti, Ashutosh; Genzer, Jan

2014-03-01

The inter- and intra- molecular interactions among monomeric units of copolymers and polypeptides depend strongly on monomer sequence distribution and dictate the phase behavior of these species both in solution and on surfaces. To study the relationship between sequence and phase behavior, we have designed a series of elastin-like polypeptides (ELPs) with controlled monomer sequences that mimic copolymers with various co-monomer sequence distributions and attached them covalently to silicon substrates from buffer solutions at temperatures below and above the bulk ELPs' lower critical solution temperatures (LCSTs). The dependence of ELP grafting density on solution temperature was examined by ellipsometry and the resultant surface morphologies were examined in air and under water with atomic force microscopy. Depositions performed above the LCST resulted in higher grafting densities and greater surface roughness of ELPs relative to depositions carried out below the LCST. In addition, we are using gradient substrates to examine the effect of ELP grafting density on temperature responsiveness.

Migration in the shearing sheet and estimates for young open cluster migration

NASA Astrophysics Data System (ADS)

Quillen, Alice C.; Nolting, Eric; Minchev, Ivan; De Silva, Gayandhi; Chiappini, Cristina

2018-04-01

Using tracer particles embedded in self-gravitating shearing sheet N-body simulations, we investigate the distance in guiding centre radius that stars or star clusters can migrate in a few orbital periods. The standard deviations of guiding centre distributions and maximum migration distances depend on the Toomre or critical wavelength and the contrast in mass surface density caused by spiral structure. Comparison between our simulations and estimated guiding radii for a few young supersolar metallicity open clusters, including NGC 6583, suggests that the contrast in mass surface density in the solar neighbourhood has standard deviation (in the surface density distribution) divided by mean of about 1/4 and larger than measured using COBE data by Drimmel and Spergel. Our estimate is consistent with a standard deviation of ˜0.07 dex in the metallicities measured from high-quality spectroscopic data for 38 young open clusters (<1 Gyr) with mean galactocentric radius 7-9 kpc.

Isotropic enhancement in the critical current density of YBCO thin films incorporating nanoscale Y2BaCuO5 inclusions

NASA Astrophysics Data System (ADS)

Jha, Alok K.; Matsumoto, Kaname; Horide, Tomoya; Saini, Shrikant; Mele, Paolo; Ichinose, Ataru; Yoshida, Yutaka; Awaji, Satoshi

2017-09-01

The effect of incorporation of nanoscale Y2BaCuO5 (Y211) inclusions on the vortex pinning properties of YBa2Cu3O7-δ (YBCO or Y123) superconducting thin films is investigated in detail on the basis of variation of critical current density (JC) with applied magnetic field and also with the orientation of the applied magnetic field at two different temperatures: 77 K and 65 K. Surface modified target approach is employed to incorporate nanoscale Y211 inclusions into the superconducting YBCO matrix. The efficiency of Y211 nanoinclusions in reducing the angular anisotropy of critical current density is found to be significant. The observed angular dependence of the critical current density is discussed on the basis of mutually occupied volume by a vortex and spherical and/or planar defect. A dip in JC near the ab-plane is also observed which has been analyzed on the basis of variation of pinning potential corresponding to a spherical (3-D) or planar (2-D) pinning center and has been attributed to a reduced interaction volume of the vortices with a pinning center and competing nature of the potentials due to spherical and planar defects.

Exact results for quench dynamics and defect production in a two-dimensional model.

PubMed

Sengupta, K; Sen, Diptiman; Mondal, Shreyoshi

2008-02-22

We show that for a d-dimensional model in which a quench with a rate tau(-1) takes the system across a (d-m)-dimensional critical surface, the defect density scales as n approximately 1/tau(mnu/(znu+1)), where nu and z are the correlation length and dynamical critical exponents characterizing the critical surface. We explicitly demonstrate that the Kitaev model provides an example of such a scaling with d = 2 and m = nu = z = 1. We also provide the first example of an exact calculation of some multispin correlation functions for a two-dimensional model that can be used to determine the correlation between the defects. We suggest possible experiments to test our theory.

Critical temperature for shape transition in hot nuclei within covariant density functional theory

NASA Astrophysics Data System (ADS)

Zhang, W.; Niu, Y. F.

2018-05-01

Prompted by the simple proportional relation between critical temperature for pairing transition and pairing gap at zero temperature, we investigate the relation between critical temperature for shape transition and ground-state deformation by taking even-even Cm-304286 isotopes as examples. The finite-temperature axially deformed covariant density functional theory with BCS pairing correlation is used. Since the Cm isotopes are the newly proposed nuclei with octupole correlations, we studied in detail the free energy surface, the Nilsson single-particle (s.p.) levels, and the components of s.p. levels near the Fermi level in 292Cm. Through this study, the formation of octupole equilibrium is understood by the contribution coming from the octupole driving pairs with Ω [N ,nz,ml] and Ω [N +1 ,nz±3 ,ml] for single-particle levels near the Fermi surfaces as it provides a good manifestation of the octupole correlation. Furthermore, the systematics of deformations, pairing gaps, and the specific heat as functions of temperature for even-even Cm-304286 isotopes are discussed. Similar to the relation between the critical pairing transition temperature and the pairing gap at zero temperature Tc=0.6 Δ (0 ) , a proportional relation between the critical shape transition temperature and the deformation at zero temperature Tc=6.6 β (0 ) is found for both octupole shape transition and quadrupole shape transition for the isotopes considered.

The magnitude of the magnetic field near the surface of a high-T(sub c) superconductor with a trapped flux

NASA Technical Reports Server (NTRS)

Overcash, Dan R.

1991-01-01

In 1986, much excitement was caused by the discovery of a class of materials that conducted electricity with zero resistance at temperatures above the boiling temperature of liquid nitrogen. This excitement was checked by the difficulties of manufacturing ceramics and the usefulness of high temperature superconductors that were restricted by their becoming high resistive conductors at small current densities. A lack of pinning of the magnetic field flux caused the return of high resistance as the current was increased in these materials. A study of the magnetic field near the surface of a high temperature superconductor is the first step in the search for a means of pinning the flux lines and increasing their critical current densities. The author found that a comparison between the defects in the surface of the superconductor and the magnetic field showed only a change in the field near the notch and the edge. No correlation was found between the surface grain or structure and the oscillations in the magnetic field. The observed changes in the magnetic field show resonances which may give an indication of the non-flux pinning in these superconductors. A flux pinning mechanism will increase the critical current densities; therefore, other methods of determining this field should be tried. The author proposes using a flux gate magnetometer with a detector wound on a ferrite core to measure the magnitude and direction of the magnetic field.

A thermodynamic study of the amphiphilic phenothiazine drug thioridazine hydrochloride in water/ethanol solvent

NASA Astrophysics Data System (ADS)

Cheema, Mohammad Arif; Barbosa, Silvia; Taboada, Pablo; Castro, Emilio; Siddiq, Mohammad; Mosquera, Víctor

2006-09-01

The thermodynamic properties of aqueous solutions of the tricyclic antidepressant amphiphilic phenothiazine drug thioridazine hydrochloride in the temperature range 20-50 °C and in the presence of ethanol have been measured. The phenothiazine tranquillizing drugs have interesting association characteristics that derive from their rigid, tricyclic hydrophobic groups. Thioridazine hydrochloride is a drug used in treatment of mental illness that shows side effects. Therefore, it is interesting to study the change of its physico-chemical properties with temperature and with the surrounding environment to understand the action mechanism of the drug. Densities, conductivities, and surface tension were measured to obtain surface and bulk solution properties. Critical concentrations, cc, at different temperatures and in the presence of ethanol, and partition coefficients, K, have been calculated, the latter using an indirect method based in the pseudophase model with the help of apparent molar volume data. This method has the advantage that allows calculating the distribution coefficients at solubilizate concentrations below the saturation. Conductivity data show two critical concentrations. The second critical concentration is not clear by density data. The effect of the alcohol is to decrease the first critical concentration due to a decrease in headgroup repulsion. The molar apparent volumes at infinite dilution and in the aggregate in water and in presence of ethanol have been also obtained.

Laser removal of sludge from steam generators

DOEpatents

Nachbar, Henry D.

1990-01-01

A method of removing unwanted chemical deposits known as sludge from the metal surfaces of steam generators with laser energy is provided. Laser energy of a certain power density, of a critical wavelength and frequency, is intermittently focused on the sludge deposits to vaporize them so that the surfaces are cleaned without affecting the metal surface (sludge substrate). Fiberoptic tubes are utilized for laser beam transmission and beam direction. Fiberoptics are also utilized to monitor laser operation and sludge removal.

Critical Motor Number for Fractional Steps of Cytoskeletal Filaments in Gliding Assays

PubMed Central

Li, Xin; Lipowsky, Reinhard; Kierfeld, Jan

2012-01-01

In gliding assays, filaments are pulled by molecular motors that are immobilized on a solid surface. By varying the motor density on the surface, one can control the number of motors that pull simultaneously on a single filament. Here, such gliding assays are studied theoretically using Brownian (or Langevin) dynamics simulations and taking the local force balance between motors and filaments as well as the force-dependent velocity of the motors into account. We focus on the filament stepping dynamics and investigate how single motor properties such as stalk elasticity and step size determine the presence or absence of fractional steps of the filaments. We show that each gliding assay can be characterized by a critical motor number, . Because of thermal fluctuations, fractional filament steps are only detectable as long as . The corresponding fractional filament step size is where is the step size of a single motor. We first apply our computational approach to microtubules pulled by kinesin-1 motors. For elastic motor stalks that behave as linear springs with a zero rest length, the critical motor number is found to be , and the corresponding distributions of the filament step sizes are in good agreement with the available experimental data. In general, the critical motor number depends on the elastic stalk properties and is reduced to for linear springs with a nonzero rest length. Furthermore, is shown to depend quadratically on the motor step size . Therefore, gliding assays consisting of actin filaments and myosin-V are predicted to exhibit fractional filament steps up to motor number . Finally, we show that fractional filament steps are also detectable for a fixed average motor number as determined by the surface density (or coverage) of the motors on the substrate surface. PMID:22927953

Rayleigh surface wave interaction with the 2D exciton Bose-Einstein condensate

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

Boev, M. V.; Kovalev, V. M., E-mail: vadimkovalev@isp.nsc.ru

We describe the interaction of a Rayleigh surface acoustic wave (SAW) traveling on the semiconductor substrate with the excitonic gas in a double quantum well located on the substrate surface. We study the SAW attenuation and its velocity renormalization due to the coupling to excitons. Both the deformation potential and piezoelectric mechanisms of the SAW-exciton interaction are considered. We focus on the frequency and excitonic density dependences of the SAW absorption coefficient and velocity renormalization at temperatures both above and well below the critical temperature of Bose-Einstein condensation of the excitonic gas. We demonstrate that the SAW attenuation and velocitymore » renormalization are strongly different below and above the critical temperature.« less

Role of Surface Charge Density in Nanoparticle-templated Assembly of Bromovirus Protein Cages

PubMed Central

Daniel, Marie-Christine; Tsvetkova, Irina B.; Quinkert, Zachary T.; Murali, Ayaluru; De, Mrinmoy; Rotello, Vincent M.; Kao, C. Cheng; Dragnea, Bogdan

2010-01-01

Self-assembling icosahedral protein cages have potencially useful physical and chemical characteristics for a variety of nanotechnology applications, ranging from therapeutic or diagnostic vectors to building blocks for hierarchical materials. For application-specific functional control of protein cage assemblies, a deeper understanding of the interaction between the protein cage and its payload is necessary. Protein-cage encapsulated nanoparticles, with their well-defined surface chemistry, allow for systematic control over key parameters of encapsulation such as the surface charge, hydrophobicity, and size. Independent control over these variables allows experimental testing of different assembly mechanism models. Previous studies done with Brome mosaic virus capsids and negatively-charged gold nanoparticles indicated that the result of the self-assembly process depends on the diameter of the particle. However, in these experiments, the surface-ligand density was maintained at saturation levels, while the total charge and the radius of curvature remained coupled variables, making the interpretation of the observed dependence on the core size difficult. The current work furnishes evidence of a critical surface charge density for assembly through an analysis aimed at decoupling the surface charge the core size. PMID:20575505

Methanol partial oxidation on Ag(111) from first principles

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

Aljama, Hassan; Yoo, Jong Suk; Nørskov, Jens K.

In this work, we examine the thermochemistry and kinetics of the partial oxidation of methanol to formaldehyde on silver surfaces. Periodic density functional theory calculations employing the BEEF-vdW functional are used to identify the most stable phases of the silver surface under relevant reaction conditions and the reaction energetics are obtained on these surfaces. The calculated binding energies and transition state energies are used as input in a mean-field microkinetic model providing the reaction kinetics on silver surfaces under different reaction conditions. Our results show that, under conditions pertaining to methanol partial oxidation, oxygen is present at low concentrations andmore » it plays a critical role in the catalytic reaction. Surface oxygen promotes the reaction by activating the OH bond in methanol, thus forming a methoxy intermediate, which can react further to form formaldehyde. Finally, the dissociation of molecular oxygen is identified as the most critical step.« less

Methanol partial oxidation on Ag(111) from first principles

DOE PAGES

Aljama, Hassan; Yoo, Jong Suk; Nørskov, Jens K.; ...

2016-10-26

In this work, we examine the thermochemistry and kinetics of the partial oxidation of methanol to formaldehyde on silver surfaces. Periodic density functional theory calculations employing the BEEF-vdW functional are used to identify the most stable phases of the silver surface under relevant reaction conditions and the reaction energetics are obtained on these surfaces. The calculated binding energies and transition state energies are used as input in a mean-field microkinetic model providing the reaction kinetics on silver surfaces under different reaction conditions. Our results show that, under conditions pertaining to methanol partial oxidation, oxygen is present at low concentrations andmore » it plays a critical role in the catalytic reaction. Surface oxygen promotes the reaction by activating the OH bond in methanol, thus forming a methoxy intermediate, which can react further to form formaldehyde. Finally, the dissociation of molecular oxygen is identified as the most critical step.« less

STAR FORMATION AT Z = 2.481 IN THE LENSED GALAXY SDSS J1110+6459: STAR FORMATION DOWN TO 30 PARSEC SCALES.

PubMed

Johnson, Traci L; Rigby, Jane R; Sharon, Keren; Gladders, Michael D; Florian, Michael; Bayliss, Matthew B; Wuyts, Eva; Whitaker, Katherine E; Livermore, Rachael; Murray, Katherine T

2017-07-10

We present measurements of the surface density of star formation, the star-forming clump luminosity function, and the clump size distribution function, for the lensed galaxy SGAS J111020.0+645950.8 at a redshift of z =2.481. The physical size scales that we probe, radii r = 30-50 pc, are considerably smaller scales than have yet been studied at these redshifts. The star formation surface density we find within these small clumps is consistent with surface densities measured previously for other lensed galaxies at similar redshift. Twenty-two percent of the rest-frame ultraviolet light in this lensed galaxy arises from small clumps, with r <100 pc. Within the range of overlap, the clump luminosity function measured for this lensed galaxy is remarkably similar to those of z ∼ 0 galaxies. In this galaxy, star-forming regions smaller than 100 pc-physical scales not usually resolved at these redshifts by current telescopes-are important locations of star formation in the distant universe. If this galaxy is representative, this may contradict the theoretical picture in which the critical size scale for star formation in the distant universe is of order 1 kiloparsec. Instead, our results suggest that current telescopes have not yet resolved the critical size scales of star-forming activity in galaxies over most of cosmic time.

Promising critical current density characteristics of Ag-sheathed (Sr,Na)Fe2As2 tape

NASA Astrophysics Data System (ADS)

Suwa, Takahiro; Pyon, Sunseng; Tamegai, Tsuyoshi; Awaji, Satoshi

2018-06-01

We report the fabrication of (Sr,Na)Fe2As2 superconducting tapes by the powder-in-tube technique and their characteristics, including the transport critical current density J c at 4.2 K up to 140 kOe, the magnetic J c estimated from magnetic hysteresis curves, magneto-optical (MO) images, and scanning electron microscopy images. In a tape sintered at 875 °C for 1 h, the transport J c reaches 26 kA/cm2 at 4.2 K and 100 kOe for a field perpendicular to the tape surface. When the field is parallel to the tape surface, the magnetic J c exceeds the practical level of 100 kA/cm2 at 4.2 K below 25 kOe. Analysis of the MO images reveals clear current discontinuity lines in the core, indicating that the current flows homogeneously and the connections between grains are strong in the core.

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

Polat, Ozgur; Ertugrul, Memhet; Thompson, James R

To obtain an engineered surface for deposition of high-Tc superconductors, nanoscale modulations of the surface of the underlying LaMnO3 (LMO) cap layer is a potential source for generating microstructural defects in YBa2Cu3O7- (YBCO) films. These defects may improve the flux-pinning and consequently increase the critical current density, Jc. To provide such nanoscale modulation via a practical and scalable process, tantalum (Ta) and palladium (Pd) nano-islands were deposited using dc-magnetron sputtering on the surface of the cap layer of commercial metal tape templates for second-generation wires. The size and density of these nano-islands can be controlled by changing sputtering conditions suchmore » as the power and deposition time. Compared to the reference sample grown on an untreated LMO cap layer, the YBCO films grown on the LMO cap layers with Ta or Pd nano-islands exhibited improved in-field Jc performance. Atomic Force Microscopy (AFM) and Transmission Electron Microscopy (TEM) were used to assess the evolving size and density of the nano-islands.« less

Fe-Impregnated Mineral Colloids for Peroxide Activation: Effects of Mineral Substrate and Fe Precursor.

PubMed

Li, Yue; Machala, Libor; Yan, Weile

2016-02-02

Heterogeneous iron species at the mineral/water interface are important catalysts for the generation of reactive oxygen species at circumneutral pH. One significant pathway leading to the formation of such species arises from deposition of dissolved iron onto mineral colloids due to changes in redox conditions. This study investigates the catalytic properties of Fe impregnated on silica, alumina, and titania nanoparticles (as prototypical mineral colloids). Fe impregnation was carried out by immersing the mineral nanoparticles in dilute Fe(II) or Fe(III) solutions at pH 6 and 3, respectively, in an aerobic environment. The uptake of iron per unit surface area follows the order of nTiO2 > nAl2O3 > nSiO2 for both types of Fe precursors. Impregnation of mineral particles in Fe(II) solutions results in predominantly Fe(III) species due to efficient surface-mediated oxidation. The catalytic activity of the impregnated solids to produce hydroxyl radical (·OH) from H2O2 decomposition was evaluated using benzoic acid as a probe compound under dark conditions. Invariably, the rates of benzoic acid oxidation with different Fe-laden particles increase with the surface density of Fe until a critical density above which the catalytic activity approaches a plateau, suggesting active Fe species are formed predominantly at low surface loadings. The critical surface density of Fe varies with the mineral substrate as well as the aqueous Fe precursor. Fe impregnated on TiO2 exhibits markedly higher activity than its Al2O3 and SiO2 counterparts. The speciation of interfacial Fe is analyzed with diffuse reflectance UV-vis analysis and interpretation of the data in the context of benzoic oxidation rates suggests that the surface activity of the solids for ·OH generation correlates strongly with the isolated (i.e., mononuclear) Fe species. Therefore, iron dispersed on mineral colloids is a significant form of reactive iron surfaces in the aquatic environment.

Land Surface Modeling and Data Assimilation to Support Physical Precipitation Retrievals for GPM

NASA Technical Reports Server (NTRS)

Peters-Lidard, Christa D.; Tian. Yudong; Kumar, Sujay; Geiger, James; Choudhury, Bhaskar

2010-01-01

Objective: The objective of this proposal is to provide a routine land surface modeling and data assimilation capability for GPM in order to provide global land surface states that are necessary to support physical precipitation retrieval algorithms over land. It is well-known that surface emission, particularly over the range of frequencies to be included in GPM, is sensitive to land surface states, including soil properties, vegetation type and greenness, soil moisture, surface temperature, and snow cover, density, and grain size. Therefore, providing a robust capability to routinely provide these critical land states is essential to support GPM-era physical retrieval algorithms over land.

Adhesion at Entangled Polymer Interfaces: A Unified Approach..

NASA Astrophysics Data System (ADS)

Wool, Richard

2006-03-01

A unified theory of fracture of polymer interfaces was developed which was based on the Rigidity Percolation model of fracture [R.P. Wool, J.Polym.Sci. Part A: Polym Phys., 43,168(2005)]. The polymer fractured critically when the normalized entanglement density p, approached the percolation threshold pc. The fracture energy was found to be G1c ˜ [p-pc]. When applied to interfaces of width X, containing an areal density σ of chains, each contributing L chain entanglements, the percolation term p ˜ σL/X and the percolation threshold was related to σc, Lc, or Xc. For welding of A/A symmetric interfaces, p = σL/X, and pc Lc/M 0, such that when σ/X ˜1/M for randomly distributed chain ends, p˜L ˜ (t/M)^1/2, G/G* = (t/τ*)^1/2, where the weld time τ* ˜ M. When the chain ends are segregated to the surface, σ is constant with time and G/G* = [t/τ*]^1/4. For sub-Tg welding, there exists a surface mobile layer (due to the critical Lindemann Atom fraction) of depth X ˜ 1/δT^ν such that G ˜ δT-2ν, where the critical exponent v = 0.8. For incompatible A/B interfaces of Helfand width d, normalized width w = d/Rge, and entanglement density Nent ˜ d/Le, p ˜ d such that, G1c ˜ [d-dc], G1c ˜ [w-1], and G ˜ [Nent-Nc]. For incompatible A/B interfaces reinforced by an areal density σ of compatibilizer chains, L and X are constant, p ˜ σ, pc ˜σc, such that G1c ˜ [σ-σc], which is in excellent agreement with experimental data.

Quantifying the effects of wildfire on changes in soil properties by surface burning of soils from the Boulder Creek Critical Zone Observatory

USGS Publications Warehouse

Wieting, Celeste; Ebel, Brian A.; Singha, Kamini

2017-01-01

Study regionThis study used intact soil cores collected at the Boulder Creek Critical Zone Observatory near Boulder, Colorado, USA to explore fire impacts on soil properties.Study focusThree soil scenarios were considered: unburned control soils, and low- and high-temperature burned soils. We explored simulated fire impacts on field-saturated hydraulic conductivity, dry bulk density, total organic carbon, and infiltration processes during rainfall simulations.New hydrological insights for the regionSoils burned to high temperatures became more homogeneous with depth with respect to total organic carbon and bulk density, suggesting reductions in near-surface porosity. Organic matter decreased significantly with increasing soil temperature. Tension infiltration experiments suggested a decrease in infiltration rates from unburned to low-temperature burned soils, and an increase in infiltration rates in high-temperature burned soils. Non-parametric statistical tests showed that field-saturated hydraulic conductivity similarly decreased from unburned to low-temperature burned soils, and then increased with high-temperature burned soils. We interpret these changes result from the combustion of surface and near-surface organic materials, enabling water to infiltrate directly into soil instead of being stored in the litter and duff layer at the surface. Together, these results indicate that fire-induced changes in soil properties from low temperatures were not as drastic as high temperatures, but that reductions in surface soil water repellency in high temperatures may increase infiltration relative to low temperatures.

Predicting debris

NASA Technical Reports Server (NTRS)

Kessler, Donald J.

1988-01-01

The probable amount, sizes, and relative velocities of debris are discussed, giving examples of the damage caused by debris, and focusing on the use of mathematical models to forecast the debris environment and solar activity now and in the future. Most debris are within 2,000 km of the earth's surface. The average velocity of spacecraft-debris collisions varies from 9 km/sec at 30 degrees of inclination to 13 km/sec near polar orbits. Mathematical models predict a 5 percent per year increase in the large-fragment population, producing a small-fragment population increase of 10 percent per year until the year 2060, the time of critical density. A 10 percent increase in the large population would cause the critical density to be reached around 2025.

An in-premise model for Legionella exposure during showering events.

PubMed

Schoen, Mary E; Ashbolt, Nicholas J

2011-11-15

An exposure model was constructed to predict the critical Legionella densities in an engineered water system that result in infection from inhalation of aerosols containing the pathogen while showering. The model predicted the Legionella densities in the shower air, water and in-premise plumbing biofilm that might result in a deposited dose of Legionella in the alveolar region of the lungs associated with infection for a routine showering event. Processes modeled included the detachment of biofilm-associated Legionella from the in-premise plumbing biofilm during a showering event, the partitioning of the pathogen from the shower water to the air, and the inhalation and deposition of particles in the lungs. The range of predicted critical Legionella densities in the air and water was compared to the available literature. The predictions were generally within the limited set of observations for air and water, with the exception of Legionella density within in-premise plumbing biofilms, for which there remains a lack of observations for comparison. Sensitivity analysis of the predicted results to possible changes in the uncertain input parameters identified the target deposited dose associated with infections, the pathogen air-water partitioning coefficient, and the quantity of detached biofilm from in-premise pluming surfaces as important parameters for additional data collection. In addition, the critical density of free-living protozoan hosts in the biofilm required to propagate the infectious Legionella was estimated. Together, this evidence can help to identify critical conditions that might lead to infection derived from pathogens within the biofilms of any plumbing system from which humans may be exposed to aerosols. Published by Elsevier Ltd.

Optimization of Methods for Articular Cartilage Surface Tissue Engineering: Cell Density and Transforming Growth Factor Beta Are Critical for Self-Assembly and Lubricin Secretion.

PubMed

Iwasa, Kenjiro; Reddi, A Hari

2017-07-01

Lubricin/superficial zone protein (SZP)/proteoglycan4 (PRG4) plays an important role in boundary lubrication in articular cartilage. Lubricin is secreted by superficial zone chondrocytes and synoviocytes of the synovium. The specific objective of this investigation is to optimize the methods for tissue engineering of articular cartilage surface. The aim of this study is to investigate the effect of cell density on the self-assembly of superficial zone chondrocytes and lubricin secretion as a functional assessment. Superficial zone chondrocytes were cultivated as a monolayer at low, medium, and high densities. Chondrocytes at the three different densities were treated with transforming growth factor beta (TGF-β)1 twice a week or daily, and the accumulated lubricin in the culture medium was analyzed by immunoblots and quantitated by enzyme-linked immunosorbent assay (ELISA). Cell numbers in low and medium densities were increased by TGF-β1; whereas cell numbers in high-density cell cultures were decreased by twice-a-week treatment of TGF-β1. On the other hand, the cell numbers were maintained by daily TGF-β treatment. Immunoblots and quantitation of lubricin by ELISA analysis indicated that TGF-β1 stimulated lubricin secretion by superficial zone chondrocytes at all densities with twice-a-week TGF-β treatment. It is noteworthy that the daily treatment of TGF-β1 increased lubricin much higher compared with twice-a-week treatment. These data demonstrate that daily treatment is optimal for the TGF-β1 response in a higher density of monolayer cultures. These findings have implications for self-assembly of surface zone chondrocytes of articular cartilage for application in tissue engineering of articular cartilage surface.

FIBER AND INTEGRATED OPTICS. OTHER TOPICS IN QUANTUM ELECTRONICS: Laser generation of dislocations and mechanism of anisotropic melting of semiconductor surfaces

NASA Astrophysics Data System (ADS)

Volodin, B. L.; Emel'yanov, Vladimir I.

1990-05-01

An analysis is made of a vacancy-deformation mechanism of generation of dislocations by laser radiation involving condensation of laser-induced vacancies when the vacancy concentration exceeds a certain critical value. The theory can be used to estimate the radius of the resultant dislocation loops and their density. It is used to interpret anisotropic laser melting of semiconductor surfaces.

Vertical structure of the near-surface expanding ionosphere of comet 67P probed by Rosetta

NASA Astrophysics Data System (ADS)

Heritier, K. L.; Henri, P.; Vallières, X.; Galand, M.; Odelstad, E.; Eriksson, A. I.; Johansson, F. L.; Altwegg, K.; Behar, E.; Beth, A.; Broiles, T. W.; Burch, J. L.; Carr, C. M.; Cupido, E.; Nilsson, H.; Rubin, M.; Vigren, E.

2017-07-01

The plasma environment has been measured for the first time near the surface of a comet. This unique data set has been acquired at 67P/Churyumov-Gerasimenko during ESA/Rosetta spacecraft's final descent on 2016 September 30. The heliocentric distance was 3.8 au and the comet was weakly outgassing. Electron density was continuously measured with Rosetta Plasma Consortium (RPC)-Mutual Impedance Probe (MIP) and RPC-LAngmuir Probe (LAP) during the descent from a cometocentric distance of 20 km down to the surface. Data set from both instruments have been cross-calibrated for redundancy and accuracy. To analyse this data set, we have developed a model driven by Rosetta Orbiter Spectrometer for Ion and Neutral Analysis-COmetary Pressure Sensor total neutral density. The two ionization sources considered are solar extreme ultraviolet radiation and energetic electrons. The latter are estimated from the RPC-Ion and Electron Sensor (IES) and corrected for the spacecraft potential probed by RPC-LAP. We have compared the results of the model to the electron densities measured by RPC-MIP and RPC-LAP at the location of the spacecraft. We find good agreement between observed and modelled electron densities. The energetic electrons have access to the surface of the nucleus and contribute as the main ionization source. As predicted, the measurements exhibit a peak in the ionospheric density close to the surface. The location and magnitude of the peak are estimated analytically. The measured ionospheric densities cannot be explained with a constant outflow velocity model. The use of a neutral model with an expanding outflow is critical to explain the plasma observations.

Axial buckling and transverse vibration of ultrathin nanowires: low symmetry and surface elastic effect

NASA Astrophysics Data System (ADS)

Lei, Xiao; Narsu, B.; Yun, Guohong; Li, Jiangang; Yao, Haiyan

2016-05-01

Surface effects play a deterministic role in the physical and mechanical properties of nanosized materials and structures. In this paper, we present a self-consistent theoretical scheme for describing the elasticity of nanowires. The natural frequency and the critical compression force of axial buckling are obtained analytically, taking into consideration the influences of lower symmetry, additional elastic parameters, surface reconstruction, surface elasticity, and residual surface stress. Applications of the present theory to elastic systems for the  <1 0 0 >  axially oriented Si and Cu nanowires and Ag  <1 1 0 >  axially oriented nanowires yield good agreement with experimental data and calculated results. The larger positive value of the new elastic parameter c12α taken into account for Si  <1 0 0 >  oriented nanowires drives the curves of natural frequency and critical compression force versus thickness towards the results obtained from density functional theory simulation. Negative surface stress decreases the critical load for axial buckling, thus making the nanowires very easy to bend into various structures. The present study is envisaged to provide useful insights for the design and application of nanowire-based devices.

Measurement of Critical Adsorption of Nitrogen near Its Liquid-vapor Critical Point

NASA Technical Reports Server (NTRS)

Chan, Moses

2003-01-01

The density profile of a critical fluid near a solid surface is expected to show an universal shape. This is known as critical adsorption. The measurement of this effect, especially close to the critical point, is often obscured by gravity. We were able to separate the gravitational effect from critical adsorption by using two capacitors, one with a large gap and one with a small gap of approximately 2 m. Within the uncertainty in the measurement, our data, which ranges between 10(exp -3) to 2 x 10(exp -6) in reduced temperatures, is consistent with the predicted power law dependence. This work is carried out in collaboration with Rafael Garcia, Sarah Scheidemantel and Klaus Knorr. It is funded by NASA's office of Biological and Physical Researchunder.

Crystallization of soft matter under confinement at interfaces and in wedges

NASA Astrophysics Data System (ADS)

Archer, Andrew J.; Malijevský, Alexandr

2016-06-01

The surface freezing and surface melting transitions that are exhibited by a model two-dimensional soft matter system are studied. The behaviour when confined within a wedge is also considered. The system consists of particles interacting via a soft purely repulsive pair potential. Density functional theory (DFT) is used to calculate density profiles and thermodynamic quantities. The external potential due to the confining walls is modelled via a hard wall with an additional repulsive Yukawa potential. The surface phase behaviour depends on the range and strength of this repulsion: when the repulsion is weak, the wall promotes freezing at the surface of the wall. The thickness of this frozen layer grows logarithmically as the bulk liquid-solid phase coexistence is approached. Our mean-field DFT predicts that this crystalline layer at the wall must be nucleated (i.e. there is a free energy barrier) and its formation is necessarily a first-order transition, referred to as ‘prefreezing’, by analogy with the prewetting transition. However, in contrast to the latter, prefreezing cannot terminate in a critical point, since the phase transition involves a change in symmetry. If the wall-fluid interaction is sufficiently long ranged and the repulsion is strong enough, surface melting can occur instead. Then the interface between the wall and the bulk crystalline solid is wetted by the liquid phase as the chemical potential is decreased towards the value at liquid-solid coexistence. It is observed that the finite thickness fluid film at the wall has a broken translational symmetry due to its proximity to the bulk crystal, and so the nucleation of the wetting film can be either first order or continuous. Our mean-field theory predicts that for certain wall potentials there is a premelting critical point analogous to the surface critical point for the prewetting transition. When the fluid is confined within a linear wedge, this can strongly promote freezing when the opening angle of the wedge is commensurate with the crystal lattice.

Critical motor number for fractional steps of cytoskeletal filaments in gliding assays.

PubMed

Li, Xin; Lipowsky, Reinhard; Kierfeld, Jan

2012-01-01

In gliding assays, filaments are pulled by molecular motors that are immobilized on a solid surface. By varying the motor density on the surface, one can control the number N of motors that pull simultaneously on a single filament. Here, such gliding assays are studied theoretically using brownian (or Langevin) dynamics simulations and taking the local force balance between motors and filaments as well as the force-dependent velocity of the motors into account. We focus on the filament stepping dynamics and investigate how single motor properties such as stalk elasticity and step size determine the presence or absence of fractional steps of the filaments. We show that each gliding assay can be characterized by a critical motor number, N(c). Because of thermal fluctuations, fractional filament steps are only detectable as long as N < N(c). The corresponding fractional filament step size is l/N where l is the step size of a single motor. We first apply our computational approach to microtubules pulled by kinesin-1 motors. For elastic motor stalks that behave as linear springs with a zero rest length, the critical motor number is found to be N(c) = 4, and the corresponding distributions of the filament step sizes are in good agreement with the available experimental data. In general, the critical motor number N(c) depends on the elastic stalk properties and is reduced to N(c) = 3 for linear springs with a nonzero rest length. Furthermore, N(c) is shown to depend quadratically on the motor step size l. Therefore, gliding assays consisting of actin filaments and myosin-V are predicted to exhibit fractional filament steps up to motor number N = 31. Finally, we show that fractional filament steps are also detectable for a fixed average motor number as determined by the surface density (or coverage) of the motors on the substrate surface.

Molecular Gibbs Surface Excess and CO2-Hydrate Density Determine the Strong Temperature- and Pressure-Dependent Supercritical CO2-Brine Interfacial Tension.

PubMed

Ji, Jiayuan; Zhao, Lingling; Tao, Lu; Lin, Shangchao

2017-06-29

In CO 2 geological storage, the interfacial tension (IFT) between supercritical CO 2 and brine is critical for the storage capacitance design to prevent CO 2 leakage. IFT relies not only on the interfacial molecule properties but also on the environmental conditions at different storage sites. In this paper, supercritical CO 2 -NaCl solution systems are modeled at 343-373 K and 6-35 MPa under the salinity of 1.89 mol/L using molecular dynamics simulations. After computing and comparing the molecular density profile across the interface, the atomic radial distribution function, the molecular orientation distribution, the molecular Gibbs surface excess (derived from the molecular density profile), and the CO 2 -hydrate number density under the above environmental conditions, we confirm that only the molecular Gibbs surface excess of CO 2 molecules and the CO 2 -hydrate number density correlate strongly with the temperature- and pressure-dependent IFTs. We also compute the populations of two distinct CO 2 -hydrate structures (T-type and H-type) and attribute the observed dependence of IFTs to the dominance of the more stable, surfactant-like T-type CO 2 -hydrates at the interface. On the basis of these new molecular mechanisms behind IFT variations, this study could guide the rational design of suitable injecting environmental pressure and temperature conditions. We believe that the above two molecular-level metrics (Gibbs surface excess and hydrate number density) are of great fundamental importance for understanding the supercritical CO 2 -water interface and engineering applications in geological CO 2 storage.

The Ocean`s Thermohaline Circulation in a Fish Tank

NASA Astrophysics Data System (ADS)

Lavender, K.; Joyce, P.; Graziano, L.; Harris, S.; Jaroslow, G.; Lea, C.; Schell, J.; Witting, J.

2005-12-01

This demonstration develops intuition about density stratification, a concept critical to understanding the ocean`s thermohaline circulation. In addition, students learn how temperature and salinity affect density, how these characteristics may be density-compensating, and students gain practice in graphing and interpreting vertical profiles and temperature-salinity (T-S) diagrams. The demonstration requires a rectangular fish tank (5-10 gallons) with a plexiglass partition, preparation of three colored ''water masses'' representing surface water (warm and fresh), ''mystery'' Mediterranean Water (warm and salty), and North Atlantic Deep Water (NADW; cold and salty), a kitchen sponge, and a temperature and salinity probe. Density may be computed using an Equation of State calculator (e.g. online version at http://fermi.jhuapl.edu/denscalc.html). The larger side of the fish tank is filled halfway with NADW, then surface water is layered on top by carefully pouring it on a floating sponge. A student volunteer measures the temperature and salinity of the two water masses, while another computes the densities. Students draw vertical profiles and T-S diagrams representing the temperature, salinity, and density of the water column. The properties of the ''mystery'' water are measured and students predict what will happen when the water is poured on the opposite side of the partition and is allowed to overflow into the layered water. If the density gradients are sufficiently large, a beautiful internal wave develops as the mystery water overflows the sill and becomes intermediate Mediterranean Water. If time permits, having a student blow on the surface illustrates the limited influence of ''wind'' with depth; an internal wave may by forced by depressing the thermocline with a large, flat spoon; and pouring extra NADW on the sponge floating at the surface may illustrate deep convection.

Experimental power spectral density analysis for mid- to high-spatial frequency surface error control.

PubMed

Hoyo, Javier Del; Choi, Heejoo; Burge, James H; Kim, Geon-Hee; Kim, Dae Wook

2017-06-20

The control of surface errors as a function of spatial frequency is critical during the fabrication of modern optical systems. A large-scale surface figure error is controlled by a guided removal process, such as computer-controlled optical surfacing. Smaller-scale surface errors are controlled by polishing process parameters. Surface errors of only a few millimeters may degrade the performance of an optical system, causing background noise from scattered light and reducing imaging contrast for large optical systems. Conventionally, the microsurface roughness is often given by the root mean square at a high spatial frequency range, with errors within a 0.5×0.5  mm local surface map with 500×500 pixels. This surface specification is not adequate to fully describe the characteristics for advanced optical systems. The process for controlling and minimizing mid- to high-spatial frequency surface errors with periods of up to ∼2-3  mm was investigated for many optical fabrication conditions using the measured surface power spectral density (PSD) of a finished Zerodur optical surface. Then, the surface PSD was systematically related to various fabrication process parameters, such as the grinding methods, polishing interface materials, and polishing compounds. The retraceable experimental polishing conditions and processes used to produce an optimal optical surface PSD are presented.

pH-sensitive optrode

DOEpatents

Hirschfeld, Tomas B.; Wang, Francis T.

1989-01-01

An apparatus is provided for remotely monitoring pH. A support material is provided on which organic dye molecules are covalently attached at a surface density falling within a predetermined range. The pH dependent fluorescence response of the bound organic dye molecules depends critically on surface density of the organic dye molecules bound to the support material and the nature of the covalent linkage betwen the organic dye molecules and the support material. The invention is operated by contacting the support material on which the organic dye is attached with the fluid whose pH is to be determined. When in contact, the organic dye on the support material is illuminated so that it is caused to fluoresce. The intensity of organic dye fluorescence is then related to pH.

Order parameter fluctuations at a buried quantum critical point

PubMed Central

Feng, Yejun; Wang, Jiyang; Jaramillo, R.; van Wezel, Jasper; Haravifard, S.; Srajer, G.; Liu, Y.; Xu, Z.-A.; Littlewood, P. B.; Rosenbaum, T. F.

2012-01-01

Quantum criticality is a central concept in condensed matter physics, but the direct observation of quantum critical fluctuations has remained elusive. Here we present an X-ray diffraction study of the charge density wave (CDW) in 2H-NbSe2 at high pressure and low temperature, where we observe a broad regime of order parameter fluctuations that are controlled by proximity to a quantum critical point. X-rays can track the CDW despite the fact that the quantum critical regime is shrouded inside a superconducting phase; and in contrast to transport probes, allow direct measurement of the critical fluctuations of the charge order. Concurrent measurements of the crystal lattice point to a critical transition that is continuous in nature. Our results confirm the long-standing expectations of enhanced quantum fluctuations in low-dimensional systems, and may help to constrain theories of the quantum critical Fermi surface. PMID:22529348

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF

NASA Astrophysics Data System (ADS)

Li, Chen; Requist, Ryan; Gross, E. K. U.

2018-02-01

We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = Rc, where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical Rc by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M-1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇Rχ(R) and ∇Rn(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation—an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

Adsorption of flexible polymer chains on a surface: Effects of different solvent conditions

NASA Astrophysics Data System (ADS)

Martins, P. H. L.; Plascak, J. A.; Bachmann, M.

2018-05-01

Polymer chains undergoing a continuous adsorption-desorption transition are studied through extensive computer simulations. A three-dimensional self-avoiding walk lattice model of a polymer chain grafted onto a surface has been treated for different solvent conditions. We have used an advanced contact-density chain-growth algorithm, in which the density of contacts can be directly obtained. From this quantity, the order parameter and its fourth-order Binder cumulant are computed, as well as the corresponding critical exponents and the adsorption-desorption transition temperature. As the number of configurations with a given number of surface contacts and monomer-monomer contacts is independent of the temperature and solvent conditions, it can be easily applied to get results for different solvent parameter values without the need of any extra simulations. In analogy to continuous magnetic phase transitions, finite-size-scaling methods have been employed. Quite good results for the critical properties and phase diagram of very long single polymer chains have been obtained by properly taking into account the effects of corrections to scaling. The study covers all solvent effects, going from the limit of super-self-avoiding walks, characterized by effective monomer-monomer repulsion, to poor solvent conditions that enable the formation of compact polymer structures.

Effect of orientation of prismatic dislocation loops on interaction with free surfaces in BCC iron

NASA Astrophysics Data System (ADS)

Fikar, Jan; Gröger, Roman; Schäublin, Robin

2017-12-01

The prismatic loops appear in metals as a result of high-energy irradiation. Understanding their formation and interaction is important for quantification of irradiation-induced deterioration of mechanical properties. Characterization of dislocation loops in thin foils is commonly made using transmission electron microscopy (TEM), but the results are inevitably influenced by the proximity of free surfaces. The prismatic loops are attracted to free surfaces by image forces. Depending on the type, shape, size, orientation and depth of the loop in the foil, they can escape to the free surface creating denuded loop-free zones and thus invalidating TEM observations. In our previous studies we described a simple general method to determine the critical depth and the critical stress to move prismatic dislocation loops. The critical depths can be further used to correct measurements of the loop density by TEM. Here, we use this procedure to compare 〈100〉 loops and 1/2 〈111〉 loops in body-centered cubic (BCC) iron. The influences of the interatomic potential and the loop orientation are studied in detail. The difference between interstitial and vacancy type loop is also investigated.

Flexibility of myosin attachment to surfaces influences F-actin motion.

PubMed Central

Winkelmann, D A; Bourdieu, L; Ott, A; Kinose, F; Libchaber, A

1995-01-01

We have analyzed the dependence of actin filament sliding movement on the mode of myosin attachment to surfaces. Monoclonal antibodies (mAbs) that bind to three distinct sites were used to tether myosin to nitrocellulose-coated glass. One antibody reacts with an epitope on the regulatory light chain (LC2) located at the head-rod junction. The other two react with sites in the rod domain, one in the S2 region near the S2-LMM hinge, and the other at the C terminus of the myosin rod. This method of attachment provides a means of controlling the flexibility and density of myosin on the surface. Fast skeletal muscle myosin monomers were bound to the surfaces through the specific interaction with these mAbs, and the sliding movement of fluorescently labeled actin filaments was analyzed by video microscopy. Each of these antibodies produced stable myosin-coated surfaces that supported uniform motion of actin over the course of several hours. Attachment of myosin through the anti-S2 and anti-LMM mAbs yielded significantly higher velocities (10 microns/s at 30 degrees C) than attachment through anti-LC2 (4-5 microns/s at 30 degrees C). For each antibody, we observed a characteristic value of the myosin density for the onset of F-actin motion and a second critical density for velocity saturation. The specific mode of attachment influences the velocity of actin filaments and the characteristic surface density needed to support movement. Images FIGURE 1 FIGURE 4 FIGURE 8 PMID:7544167

Density, Viscosity and Surface Tension of Binary Mixtures of 1-Butyl-1-Methylpyrrolidinium Tricyanomethanide with Benzothiophene.

PubMed

Domańska, Urszula; Królikowska, Marta; Walczak, Klaudia

2014-01-01

The effects of temperature and composition on the density and viscosity of pure benzothiophene and ionic liquid (IL), and those of the binary mixtures containing the IL 1-butyl-1-methylpyrrolidynium tricyanomethanide ([BMPYR][TCM] + benzothiophene), are reported at six temperatures (308.15, 318.15, 328.15, 338.15, 348.15 and 358.15) K and ambient pressure. The temperature dependences of the density and viscosity were represented by an empirical second-order polynomial and by the Vogel-Fucher-Tammann equation, respectively. The density and viscosity variations with compositions were described by polynomials. Excess molar volumes and viscosity deviations were calculated and correlated by Redlich-Kister polynomial expansions. The surface tensions of benzothiophene, pure IL and binary mixtures of ([BMPYR][TCM] + benzothiophene) were measured at atmospheric pressure at four temperatures (308.15, 318.15, 328.15 and 338.15) K. The surface tension deviations were calculated and correlated by a Redlich-Kister polynomial expansion. The temperature dependence of the interfacial tension was used to evaluate the surface entropy, the surface enthalpy, the critical temperature, the surface energy and the parachor for pure IL. These measurements have been provided to complete information of the influence of temperature and composition on physicochemical properties for the selected IL, which was chosen as a possible new entrainer in the separation of sulfur compounds from fuels. A qualitative analysis on these quantities in terms of molecular interactions is reported. The obtained results indicate that IL interactions with benzothiophene are strongly dependent on packing effects and hydrogen bonding of this IL with the polar solvent.

Quasiparticle mass enhancement close to the quantum critical point in BaFe2(As(1-x)P(x))2.

PubMed

Walmsley, P; Putzke, C; Malone, L; Guillamón, I; Vignolles, D; Proust, C; Badoux, S; Coldea, A I; Watson, M D; Kasahara, S; Mizukami, Y; Shibauchi, T; Matsuda, Y; Carrington, A

2013-06-21

We report a combined study of the specific heat and de Haas-van Alphen effect in the iron-pnictide superconductor BaFe2(As(1-x)P(x))2. Our data when combined with results for the magnetic penetration depth give compelling evidence for the existence of a quantum critical point close to x=0.30 which affects the majority of the Fermi surface by enhancing the quasiparticle mass. The results show that the sharp peak in the inverse superfluid density seen in this system results from a strong increase in the quasiparticle mass at the quantum critical point.

Adsorption of guanidinium collectors on aluminosilicate minerals - a density functional study.

PubMed

Nulakani, Naga Venkateswara Rao; Baskar, Prathab; Patra, Abhay Shankar; Subramanian, Venkatesan

2015-10-07

In this density functional theory based investigation, we have modelled and studied the adsorption behaviour of guanidinium cations and substituted (phenyl, methoxy phenyl, nitro phenyl and di-nitro phenyl) guanidinium cationic collectors on the basal surfaces of kaolinite and goethite. The adsorption behaviour is assessed in three different media, such as gas, explicit water and pH medium, to understand the affinity of GC collectors to the SiO4 tetrahedral and AlO6 octahedral surfaces of kaolinite. The tetrahedral siloxane surface possesses a larger binding affinity to GC collectors than the octahedral sites due to the presence of surface exposed oxygen atoms that are active in the intermolecular interactions. Furthermore, the inductive electronic effects of substituted guanidinium cations also play a key role in the adsorption mechanism. Highly positive cations result in a stronger electrostatic interaction and preferential adsorption with the kaolinite surfaces than low positive cations. Computed interaction energies and electron densities at the bond critical points suggest that the adsorption of guanidinium cations on the surfaces of kaolinite and goethite is due to the formation of intra/inter hydrogen bonding networks. Also, the electrostatic interaction favours the high adsorption ability of GC collectors in the pH medium than gas phase and water medium. The structures and energies of GC collectors pave an intuitive view for future experimental studies on mineral flotation.

Flow Structure and Surface Topology on a UCAV Planform

NASA Astrophysics Data System (ADS)

Elkhoury, Michel; Yavuz, Metin; Rockwell, Donald

2003-11-01

Flow past a X-45 UCAV planform involves the complex generation and interaction of vortices, their breakdown and occurrence of surface separation and stall. A cinema technique of high-image-density particle image velocimetry, in conjunction with dye visualization, allows characterization of the time-averaged and instantaneous states of the flow, in terms of critical points of the near-surface streamlines. These features are related to patterns of surface normal vorticity and velocity fluctuation. Spectral analysis of the naturally occurring unsteadiness of the flow allows definition of the most effective frequencies for small-amplitude perturbation of the wing, which leads to substantial alterations of the aforementioned patterns of flow structure and topology adjacent to the surface.

Reference Correlation for the Viscosity of Ethane

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

Vogel, Eckhard, E-mail: eckhard.vogel@uni-rostock.de; Span, Roland; Herrmann, Sebastian

2015-12-15

A new representation of the viscosity for the fluid phase of ethane includes a zero-density correlation and a contribution for the critical enhancement, initially both developed separately, but based on experimental data. The higher-density contributions are correlated as a function of the reduced density δ = ρ/ρ{sub c} and of the reciprocal reduced temperature τ = T{sub c}/T (ρ{sub c}—critical density and T{sub c}—critical temperature). The final formulation contains 14 coefficients obtained using a state-of-the-art linear optimization algorithm. The evaluation and choice of the selected primary data sets is reviewed, in particular with respect to the assessment used in earliermore » viscosity correlations. The new viscosity surface correlation makes use of the reference equation of state for the thermodynamic properties of ethane by Bücker and Wagner [J. Phys. Chem. Ref. Data 35, 205 (2006)] and is valid in the fluid region from the melting line to temperatures of 675 K and pressures of 100 MPa. The viscosity in the limit of zero density is described with an expanded uncertainty of 0.5% (coverage factor k = 2) for temperatures 290 < T/K < 625, increasing to 1.0% at temperatures down to 212 K. The uncertainty of the correlated values is 1.5% in the range 290 < T/K < 430 at pressures up to 30 MPa on the basis of recent measurements judged to be very reliable as well as 4.0% and 6.0% in further regions. The uncertainty in the near-critical region (1.001 < 1/τ < 1.010 and 0.8 < δ < 1.2) increases with decreasing temperature up to 3.0% considering the available reliable data. Tables of the viscosity calculated from the correlation are listed in an appendix for the single-phase region, for the vapor–liquid phase boundary, and for the near-critical region.« less

Summary of ORSphere critical and reactor physics measurements

NASA Astrophysics Data System (ADS)

Marshall, Margaret A.; Bess, John D.

2017-09-01

In the early 1970s Dr. John T. Mihalczo (team leader), J.J. Lynn, and J.R. Taylor performed experiments at the Oak Ridge Critical Experiments Facility (ORCEF) with highly enriched uranium (HEU) metal (called Oak Ridge Alloy or ORALLOY) to recreate GODIVA I results with greater accuracy than those performed at Los Alamos National Laboratory in the 1950s. The purpose of the Oak Ridge ORALLOY Sphere (ORSphere) experiments was to estimate the unreflected and unmoderated critical mass of an idealized sphere of uranium metal corrected to a density, purity, and enrichment such that it could be compared with the GODIVA I experiments. This critical configuration has been evaluated. Preliminary results were presented at ND2013. Since then, the evaluation was finalized and judged to be an acceptable benchmark experiment for the International Criticality Safety Benchmark Experiment Project (ICSBEP). Additionally, reactor physics measurements were performed to determine surface button worths, central void worth, delayed neutron fraction, prompt neutron decay constant, fission density and neutron importance. These measurements have been evaluated and found to be acceptable experiments and are discussed in full detail in the International Handbook of Evaluated Reactor Physics Benchmark Experiments. The purpose of this paper is to summarize all the evaluated critical and reactor physics measurements evaluations.

Limiting Surface Density Method Adapted to Large Arrays of Heterogeneous Shipping Packages with Nonlinear Responses

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

Stover, Tracy E.; Baker, James S.; Ratliff, Michael D.

The classic Limiting Surface Density (LSD) method is an empirical calculation technique for analyzing and setting mass limits for fissile items in storage arrays. LSD is a desirable method because it can reduce or eliminate the need for lengthy detailed Monte Carlo models of storage arrays. The original (or classic) method was developed based on idealized arrays of bare spherical metal items in air-spaced cubic units in a water-reflected cubic array. In this case, the geometric and material-based surface densities were acceptably correlated by linear functions. Later updates to the method were made to allow for concrete reflection rather thanmore » water, cylindrical masses rather than spheres, different material forms, and noncubic arrays. However, in the intervening four decades since those updates, little work has been done to update the method, especially for use with contemporary highly heterogeneous shipping packages that are noncubic and stored in noncubic arrays. In this work, the LSD method is reevaluated for application to highly heterogeneous shipping packages for fissile material. The package modeled is the 9975 shipping package, currently the primary package used to store fissile material at Savannah River Site’s K-Area Complex. The package is neither cubic nor rectangular but resembles nested cylinders of stainless steel, lead, aluminum, and Celotex. The fissile content is assumed to be a cylinder of plutonium metal. The packages may be arranged in arrays with both an equal number of packages per side (package cubic) and an unequal number of packages per side (noncubic). The cubic arrangements are used to derive the 9975-specific material and geometry constants for the classic linear form LSD method. The linear form of the LSD, with noncubic array adjustment, is applied and evaluated against computational models for these packages to determine the critical unit fissile mass. Sensitivity equations are derived from the classic method, and these are also used to make projections of the critical unit fissile mass. It was discovered that the heterogeneous packages have a nonlinear surface density versus critical mass relationship compared to the acceptably linear response of bare spherical fissile masses. Methodology is developed to address the nonlinear response. In so doing, the solution to the nonlinear LSD method becomes decoupled from the critical mass of a single unit, adding to its flexibility. The ability of the method to predict changes in neutron multiplication due to perturbations in a parameter is examined to provide a basis for analyzing upset conditions. In conclusion, a full rederivation of the classic LSD method from diffusion theory is also included as this was found to be lacking in the available literature.« less

Limiting Surface Density Method Adapted to Large Arrays of Heterogeneous Shipping Packages with Nonlinear Responses

DOE PAGES

Stover, Tracy E.; Baker, James S.; Ratliff, Michael D.; ...

2018-03-02

The classic Limiting Surface Density (LSD) method is an empirical calculation technique for analyzing and setting mass limits for fissile items in storage arrays. LSD is a desirable method because it can reduce or eliminate the need for lengthy detailed Monte Carlo models of storage arrays. The original (or classic) method was developed based on idealized arrays of bare spherical metal items in air-spaced cubic units in a water-reflected cubic array. In this case, the geometric and material-based surface densities were acceptably correlated by linear functions. Later updates to the method were made to allow for concrete reflection rather thanmore » water, cylindrical masses rather than spheres, different material forms, and noncubic arrays. However, in the intervening four decades since those updates, little work has been done to update the method, especially for use with contemporary highly heterogeneous shipping packages that are noncubic and stored in noncubic arrays. In this work, the LSD method is reevaluated for application to highly heterogeneous shipping packages for fissile material. The package modeled is the 9975 shipping package, currently the primary package used to store fissile material at Savannah River Site’s K-Area Complex. The package is neither cubic nor rectangular but resembles nested cylinders of stainless steel, lead, aluminum, and Celotex. The fissile content is assumed to be a cylinder of plutonium metal. The packages may be arranged in arrays with both an equal number of packages per side (package cubic) and an unequal number of packages per side (noncubic). The cubic arrangements are used to derive the 9975-specific material and geometry constants for the classic linear form LSD method. The linear form of the LSD, with noncubic array adjustment, is applied and evaluated against computational models for these packages to determine the critical unit fissile mass. Sensitivity equations are derived from the classic method, and these are also used to make projections of the critical unit fissile mass. It was discovered that the heterogeneous packages have a nonlinear surface density versus critical mass relationship compared to the acceptably linear response of bare spherical fissile masses. Methodology is developed to address the nonlinear response. In so doing, the solution to the nonlinear LSD method becomes decoupled from the critical mass of a single unit, adding to its flexibility. The ability of the method to predict changes in neutron multiplication due to perturbations in a parameter is examined to provide a basis for analyzing upset conditions. In conclusion, a full rederivation of the classic LSD method from diffusion theory is also included as this was found to be lacking in the available literature.« less

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

When feedback fails: the scaling and saturation of star formation efficiency

NASA Astrophysics Data System (ADS)

Grudić, Michael Y.; Hopkins, Philip F.; Faucher-Giguère, Claude-André; Quataert, Eliot; Murray, Norman; Kereš, Dušan

2018-04-01

We present a suite of 3D multiphysics MHD simulations following star formation in isolated turbulent molecular gas discs ranging from 5 to 500 parsecs in radius. These simulations are designed to survey the range of surface densities between those typical of Milky Way giant molecular clouds (GMCs) ({˜ } 10^2 {M_{\\odot } pc^{-2}}) and extreme ultraluminous infrared galaxy environments ({˜ } 10^4 {M_{\\odot } pc^{-2}}) so as to map out the scaling of the cloud-scale star formation efficiency (SFE) between these two regimes. The simulations include prescriptions for supernova, stellar wind, and radiative feedback, which we find to be essential in determining both the instantaneous per-freefall (ɛff) and integrated (ɛint) star formation efficiencies. In all simulations, the gas discs form stars until a critical stellar surface density has been reached and the remaining gas is blown out by stellar feedback. We find that surface density is a good predictor of ɛint, as suggested by analytic force balance arguments from previous works. SFE eventually saturates to ˜1 at high surface density. We also find a proportional relationship between ɛff and ɛint, implying that star formation is feedback-moderated even over very short time-scales in isolated clouds. These results have implications for star formation in galactic discs, the nature and fate of nuclear starbursts, and the formation of bound star clusters. The scaling of ɛff with surface density is not consistent with the notion that ɛff is always ˜ 1 per cent on the scale of GMCs, but our predictions recover the ˜ 1 per cent value for GMC parameters similar to those found in spiral galaxies, including our own.

Measuring the binding stoichiometry of HIV-1 Gag to very-low-density oligonucleotide surfaces using surface plasmon resonance spectroscopy.

PubMed

Stephen, Andrew G; Datta, Siddhartha A K; Worthy, Karen M; Bindu, Lakshman; Fivash, Matthew J; Turner, Kevin B; Fabris, Daniele; Rein, Alan; Fisher, Robert J

2007-09-01

The interaction of the HIV Gag polyprotein with nucleic acid is a critical step in the assembly of viral particles. The Gag polyprotein is composed of the matrix (MA), capsid (CA), and nucleocapsid (NC) domains. The NC domain is required for nucleic acid interactions, and the CA domain is required for Gag-Gag interactions. Previously, we have investigated the binding of the NC protein to d(TG)(n) oligonucleotides using surface plasmon resonance (SPR) spectroscopy. We found a single NC protein is able to bind to more than one immobilized oligonucleotide, provided that the oligonucleotides are close enough together. As NC is believed to be the nucleic acid binding domain of Gag, we might expect Gag to show the same complex behavior. We wished to analyze the stoichiometry of Gag binding to oligonucleotides without this complication due to tertiary complex formation. We have therefore analyzed Gag binding to extremely low oligonucleotide density on SPR chips. Such low densities of oligonucleotides are difficult to accurately quantitate. We have determined by Fourier transform ion cyclotron (FTICR) mass spectrometry that four molecules of NC bind to d(TG)(10) (a 20-base oligonucleotide). We developed a method of calibrating low-density surfaces using NC calibration injections. Knowing the maximal response and the stoichiometry of binding, we can precisely determine the amount of oligonucleotide immobilized at these very-low-density surfaces (<1 Response Unit). Using this approach, we have measured the binding of Gag to d(TG)(10). Gag binds to a 20-mer with a stoichiometry of greater than 4. This suggests that once Gag is bound to the immobilized oligonucleotide, additional Gag molecules can bind to this complex.

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.

Controlling the dual mechanisms of oxide interface doping

NASA Astrophysics Data System (ADS)

Dai, Weitao; Cen, Cheng

The formation of two dimensional electron gas (2DEG) at LaAlO3/SrTiO3 interfaces involves multiple electronic and structural causes. The interplay between them makes the investigation of individual mechanism very challenging. Here we demonstrate the nanoscale selective control of two interface doping pathways: charge transfers from surface adsorbed protons and oxygen vacancies created in LaAlO3 layers. The selective control is achieved by combining intensive electric field generated by conducting AFM probe which controls both the creation/migration of oxygen vacancies and the surface proton density, with plasma assisted surface hydroxylation and solvent based proton solvation that act mainly on surface adsorbates. Robust nanoscale reversible metal-insulator transition was achieved at the interfaces with the LaAlO3 layer thicker than the critic thickness. Different combinations of the experimental methods and doping mechanisms enable highly flexible tuning of the 2DEG's carrier density, mobility and sensitivity to ambient environments. The reversible and independent controls of surface states and vacancies add to the fundamental material research capabilities and can benefit future exploration of designed 2DEG nanoelectronics.

Ionic Graphitization of Ultrathin Films of Ionic Compounds.

PubMed

Kvashnin, A G; Pashkin, E Y; Yakobson, B I; Sorokin, P B

2016-07-21

On the basis of ab initio density functional calculations, we performed a comprehensive investigation of the general graphitization tendency in rocksalt-type structures. In this paper, we determine the critical slab thickness for a range of ionic cubic crystal systems, below which a spontaneous conversion from a cubic to a layered graphitic-like structure occurs. This conversion is driven by surface energy reduction. Using only fundamental parameters of the compounds such as the Allen electronegativity and ionic radius of the metal atom, we also develop an analytical relation to estimate the critical number of layers.

Maintenance cost, toppling risk and size of trees in a self-thinning stand.

PubMed

Larjavaara, Markku

2010-07-07

Wind routinely topples trees during storms, and the likelihood that a tree is toppled depends critically on its allometry. Yet none of the existing theories to explain tree allometry consider wind drag on tree canopies. Since leaf area index in crowded, self-thinning stands is independent of stand density, the drag force per unit land can also be assumed to be independent of stand density, with only canopy height influencing the total toppling moment. Tree stem dimensions and the self-thinning biomass can then be computed by further assuming that the risk of toppling over and stem maintenance per unit land area are independent of stand density, and that stem maintenance cost is a linear function of stem surface area and sapwood volume. These assumptions provide a novel way to understand tree allometry and lead to a self-thinning line relating tree biomass and stand density with a power between -3/2 and -2/3 depending on the ratio of maintenance of sapwood and stem surface. (c) 2010 Elsevier Ltd. All rights reserved.

Application of terahertz pulse imaging as PAT tool for non-destructive evaluation of film-coated tablets under different manufacturing conditions.

PubMed

Dohi, Masafumi; Momose, Wataru; Yoshino, Hiroyuki; Hara, Yuko; Yamashita, Kazunari; Hakomori, Tadashi; Sato, Shusaku; Terada, Katsuhide

2016-02-05

Film-coated tablets (FCTs) are a popular solid dosage form in pharmaceutical industry. Manufacturing conditions during the film-coating process affect the properties of the film layer, which might result in critical quality problems. Here, we analyzed the properties of the film layer using a non-destructive approach with terahertz pulsed imaging (TPI). Hydrophilic tablets that become distended upon water absorption were used as core tablets and coated with film under different manufacturing conditions. TPI-derived parameters such as film thickness (FT), film surface reflectance (FSR), and interface density difference (IDD) between the film layer and core tablet were affected by manufacturing conditions and influenced critical quality attributes of FCTs. Relative standard deviation of FSR within tablets correlated well with surface roughness. Tensile strength could be predicted in a non-destructive manner using the multivariate regression equation to estimate the core tablet density by film layer density and IDD. The absolute value of IDD (Lateral) correlated with the risk of cracking on the lateral film layer when stored in a high-humidity environment. Further, in-process control was proposed for this value during the film-coating process, which will enable a feedback control system to be applied to process parameters and reduced risk of cracking without a stability test. Copyright © 2015 Elsevier B.V. All rights reserved.

Relationship between the specific surface area of rust and the electrochemical behavior of rusted steel in a wet-dry acid corrosion environment

NASA Astrophysics Data System (ADS)

Liu, Wei; Zhao, Qing-he; Li, Shuan-zhu

2017-01-01

The relationship between the specific surface area (SSA) of rust and the electrochemical behavior of rusted steel under wet-dry acid corrosion conditions was investigated. The results showed that the corrosion current density first increased and then decreased with increasing SSA of the rust during the corrosion process. The structure of the rust changed from single-layer to double-layer, and the γ-FeOOH content decreased in the inner layer of the rust with increasing corrosion time; by contrast, the γ-FeOOH content in the outer layer was constant. When the SSA of the rust was lower than the critical SSA corresponding to the relative humidity during the drying period, condensed water in the micropores of the rust could evaporate, which prompted the diffusion of O2 into the rust and the following formation process of γ-FeOOH, leading to an increase of corrosion current density with increasing corrosion time. However, when the SSA of the rust reached or exceeded the critical SSA, condensate water in the micro-pores of the inner layer of the rust could not evaporate which inhibited the diffusion of O2 and decreased the γ-FeOOH content in the inner rust, leading to a decrease of corrosion current density with increasing corrosion time.

pH-sensitive optrode

DOEpatents

Hirschfeld, T.B.; Wang, F.T.

1989-02-07

An apparatus is provided for remotely monitoring pH. A support material is provided on which organic dye molecules are covalently attached at a surface density falling within a predetermined range. The pH dependent fluorescence response of the bound organic dye molecules depends critically on surface density of the organic dye molecules bound to the support material and the nature of the covalent linkage between the organic dye molecules and the support material. The invention is operated by contacting the support material on which the organic dye is attached with the fluid whose pH is to be determined. When in contact, the organic dye on the support material is illuminated so that it is caused to fluoresce. The intensity of organic dye fluorescence is then related to pH. 4 figs.

Quantification of dislocation nucleation stress in TiN through high-resolution in situ indentation experiments and first principles calculations

DOE PAGES

Li, N.; Yadav, S. K.; Liu, X. -Y.; ...

2015-11-05

Using the in situ indentation of TiN in a high-resolution transmission electron microscope, the nucleation of full as well as partial dislocations has been observed from {001} and {111} surfaces, respectively. The critical elastic strains associated with the nucleation of the dislocations were analyzed from the recorded atomic displacements, and the nucleation stresses corresponding to the measured critical strains were computed using density functional theory. The resolved shear stress was estimated to be 13.8 GPa for the partial dislocation 1/6 <110> {111} and 6.7 GPa for the full dislocation ½ <110> {110}. Moreover, such an approach of quantifying nucleation stressesmore » for defects via in situ high-resolution experiment coupled with density functional theory calculation may be applied to other unit processes.« less

Solution of semi-flexible self-avoiding trails on a Husimi lattice built with squares

NASA Astrophysics Data System (ADS)

Oliveira, Tiago J.; Dantas, Wellington G.; Prellberg, Thomas; Stilck, Jürgen F.

2018-02-01

We study a model of semi-flexible self-avoiding trails, where the lattice paths are constrained to visit each lattice edge at most once, with configurations weighted by the number of collisions, crossings and bends, on a Husimi lattice built with squares. We find a rich phase diagram with five phases: a non-polymerised phase (NP), low density (P1) and high density (P2) polymerised phases, and, for sufficiently large stiffness, two additional anisotropic (nematic) (AN1 and AN2) polymerised phases within the P1 phase. Moreover, the AN1 phase which shows a broken symmetry with a preferential direction, is separated from the P1 phase by the other nematic AN2 phase. Although this scenario is similar to what was found in our previous calculation on the Bethe lattice, where the AN-P1 transition was discontinuous and critical, the presence of the additional nematic phase between them introduces a qualitative difference. Other details of the phase diagram are that a line of tri-critical points may separate the P1-P2 transition surface into a continuous and a discontinuous portion, and that the same may happen at the NP-P1 transition surface, details of which depend on whether crossings are allowed or forbidden. A critical end-point line is also found in the phase diagram.

Effect of particle surface area on ice active site densities retrieved from droplet freezing spectra

NASA Astrophysics Data System (ADS)

Beydoun, Hassan; Polen, Michael; Sullivan, Ryan C.

2016-10-01

Heterogeneous ice nucleation remains one of the outstanding problems in cloud physics and atmospheric science. Experimental challenges in properly simulating particle-induced freezing processes under atmospherically relevant conditions have largely contributed to the absence of a well-established parameterization of immersion freezing properties. Here, we formulate an ice active, surface-site-based stochastic model of heterogeneous freezing with the unique feature of invoking a continuum assumption on the ice nucleating activity (contact angle) of an aerosol particle's surface that requires no assumptions about the size or number of active sites. The result is a particle-specific property g that defines a distribution of local ice nucleation rates. Upon integration, this yields a full freezing probability function for an ice nucleating particle. Current cold plate droplet freezing measurements provide a valuable and inexpensive resource for studying the freezing properties of many atmospheric aerosol systems. We apply our g framework to explain the observed dependence of the freezing temperature of droplets in a cold plate on the concentration of the particle species investigated. Normalizing to the total particle mass or surface area present to derive the commonly used ice nuclei active surface (INAS) density (ns) often cannot account for the effects of particle concentration, yet concentration is typically varied to span a wider measurable freezing temperature range. A method based on determining what is denoted an ice nucleating species' specific critical surface area is presented and explains the concentration dependence as a result of increasing the variability in ice nucleating active sites between droplets. By applying this method to experimental droplet freezing data from four different systems, we demonstrate its ability to interpret immersion freezing temperature spectra of droplets containing variable particle concentrations. It is shown that general active site density functions, such as the popular ns parameterization, cannot be reliably extrapolated below this critical surface area threshold to describe freezing curves for lower particle surface area concentrations. Freezing curves obtained below this threshold translate to higher ns values, while the ns values are essentially the same from curves obtained above the critical area threshold; ns should remain the same for a system as concentration is varied. However, we can successfully predict the lower concentration freezing curves, which are more atmospherically relevant, through a process of random sampling from g distributions obtained from high particle concentration data. Our analysis is applied to cold plate freezing measurements of droplets containing variable concentrations of particles from NX illite minerals, MCC cellulose, and commercial Snomax bacterial particles. Parameterizations that can predict the temporal evolution of the frozen fraction of cloud droplets in larger atmospheric models are also derived from this new framework.

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.

Unconventional and conventional quantum criticalities in CeRh0.58Ir0.42In5

NASA Astrophysics Data System (ADS)

Luo, Yongkang; Lu, Xin; Dioguardi, Aadm P.; Rosa, Priscila F. S.; Bauer, Eric D.; Si, Qimiao; Thompson, Joe D.

2018-03-01

An appropriate description of the state of matter that appears as a second order phase transition is tuned toward zero temperature, viz. quantum-critical point (QCP), poses fundamental and still not fully answered questions. Experiments are needed both to test basic conclusions and to guide further refinement of theoretical models. Here, charge and entropy transport properties as well as AC specific heat of the heavy-fermion compound CeRh0.58Ir0.42In5, measured as a function of pressure, reveal two qualitatively different QCPs in a single material driven by a single non-symmetry-breaking tuning parameter. A discontinuous sign-change jump in thermopower suggests an unconventional QCP at pc1 accompanied by an abrupt Fermi-surface reconstruction that is followed by a conventional spin-density-wave critical point at pc2 across which the Fermi surface evolves smoothly to a heavy Fermi-liquid state. These experiments are consistent with some theoretical predictions, including the sequence of critical points and the temperature dependence of the thermopower in their vicinity.

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF.

PubMed

Li, Chen; Requist, Ryan; Gross, E K U

2018-02-28

We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = R c , where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical R c by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M -1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇ R χ(R) and ∇ R n(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation-an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

Subtle charge balance controls surface-nucleated self-assembly of designed biopolymers.

PubMed

Charbonneau, Céline; Kleijn, J Mieke; Cohen Stuart, Martien A

2014-03-25

We report the surface-nucleated self-assembly into fibrils of a biosynthetic amino acid polymer synthesized by the yeast Pichia pastoris. This polymer has a block-like architecture, with a central silk-like block labeled SH, responsible for the self-assembly into fibrils, and two collagen-like random coil end blocks (C) that colloidally stabilize the fibers in aqueous solution. The silk-like block contains histidine residues (pKa≈6) that are positively charged in the low pH region, which hinders self-assembly. In aqueous solution, CSHC self-assembles into fibers above a pH-dependent critical nucleation concentration Ccb. Below Ccb, where no self-assembly occurs in solution, fibril formation can be induced by a negatively charged surface (silica) in the pH range of 3.5-7. The density of the fibers at the surface and their length are controlled by a subtle balance in charge between the protein polymer and the silica surface, which is evidenced from the dependence on pH. With increasing number density of the fibers at the surface, their average length decreases. The results can be explained on the basis of a nucleation-and-growth mechanism: the surface density of fibers depends on the rate of nucleation, while their growth rate is limited by transport of proteins from solution. Screening of the charges on the surface and histidine units by adding NaCl influences the nucleation-and-growth process in a complicated fashion: at low pH, the growth is improved, while at high pH, the nucleation is limited. Under conditions where nucleation in the bulk solution is not possible, growth of the surface-nucleated fibers into the solution--away from the surface--can still occur.

Observation of surface layering in a nonmetallic liquid

NASA Astrophysics Data System (ADS)

Mo, Haiding; Evmenenko, Guennadi; Kewalramani, Sumit; Kim, Kyungil; Dutta, Pulak; Ehrlich, Steven

2006-03-01

Non-monotonic density profiles (layers) have previously been observed at the free surfaces of many metallic liquids, but not in isotropic dielectric liquids. Whether the presence of an electron gas is necessary for surface layering has been the subject of debate. Until recently, MD simulations have suggested that layering at free liquid interface may be a generic phenomenon and is not limited to the metallic liquids^1. The theories predict that if normal liquids can be cooled down to temperatures low enough, layering structure should be observed experimentally. However, this is difficult for most molecular liquids because these liquids freeze well above the temperature necessary for observing the layering structure. By studying the surface structure of liquid TEHOS (tetrakis(2-ethylhexoxy)silane), which combines relatively low freezing point and high boiling point compared to that of most molecular liquids, we have observed the evidence of layering at the free interface of liquid TEHOS using x-ray reflectivity. When cooled to T/Tc 0.25 (well above the bulk freezing point, Tc is the critical temperature of TEHOS), the surface roughness drops sharply and density oscillations appear near the surface. Lateral ordering of the surface layers is liquid-like, just as at liquid metal surfaces. 1. E. Chac'on and P. Tarazona, Phys. Rev. Lett. 91 166103-1 (2003)

Effect of Two-Step Metal Organic Chemical Vapor Deposition Growth on Quality, Diameter and Density of InAs Nanowires on Si (111) Substrate

NASA Astrophysics Data System (ADS)

Yu, Hung Wei; Anandan, Deepak; Hsu, Ching Yi; Hung, Yu Chih; Su, Chun Jung; Wu, Chien Ting; Kakkerla, Ramesh Kumar; Ha, Minh Thien Huu; Huynh, Sa Hoang; Tu, Yung Yi; Chang, Edward Yi

2018-02-01

High-density (˜ 80/um2) vertical InAs nanowires (NWs) with small diameters (˜ 28 nm) were grown on bare Si (111) substrates by means of two-step metal organic chemical vapor deposition. There are two critical factors in the growth process: (1) a critical nucleation temperature for a specific In molar fraction (approximately 1.69 × 10-5 atm) is the key factor to reduce the size of the nuclei and hence the diameter of the InAs NWs, and (2) a critical V/III ratio during the 2nd step growth will greatly increase the density of the InAs NWs (from 45 μm-2 to 80 μm-2) and at the same time keep the diameter small. The high-resolution transmission electron microscopy and selected area diffraction patterns of InAs NWs grown on Si exhibit a Wurtzite structure and no stacking faults. The observed longitudinal optic peaks in the Raman spectra were explained in terms of the small surface charge region width due to the small NW diameter and the increase of the free electron concentration, which was consistent with the TCAD program simulation of small diameter (< 40 nm) InAs NWs.

Corner entanglement as a probe of quantum criticality

NASA Astrophysics Data System (ADS)

Witczak-Krempa, William; Bueno, Pablo; Myers, Robert C.

The entanglement entropy in many gapless quantum systems in 2+1D receives a contribution from corners in the entangling surface. It is characterized by a universal function a (θ) that depends non-trivially on the corner opening angle θ. Focusing on a large family of quantum critical theories with emergent Lorentz invariance (CFTs), we argue that the smooth limit a (θ ~ π) is entirely determined by the energy-density or stress tensor 2-point function coefficient. This explains recent results obtained via cutting edge simulations on the quantum critical Ising, XY and Heisenberg models. We also show how to extract the full thermal entropy of the quantum critical system using corner entanglement of the groundstate alone. ** Bueno, Myers, WK, Phys. Rev. Lett. (2015) Work supported by Perimeter Institute and NSERC.

Molecular interactions in a surfactant-water-polyacrylamide system, according to densimetry, viscometry, conductometry, and spectroscopy data

NASA Astrophysics Data System (ADS)

Harutyunyan, R. S.

2013-08-01

Molecular interactions in a surfactant-polyacrylamide-water system are investigated. It is established that the interactions affect such physicochemical parameters of the system as viscosity, density, surface tension, conductivity, and critical micelle concentration. It is shown that in a polyacrylamide-water system, raising the polyacrylamide concentration to 0.02% causes conformational changes in its macromolecule.

Summary of ORSphere Critical and Reactor Physics Measurements

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

Marshall, Margaret A.; Bess, John D.

In the early 1970s Dr. John T. Mihalczo (team leader), J. J. Lynn, and J. R. Taylor performed experiments at the Oak Ridge Critical Experiments Facility (ORCEF) with highly enriched uranium (HEU) metal (called Oak Ridge Alloy or ORALLOY) to recreate GODIVA I results with greater accuracy than those performed at Los Alamos National Laboratory in the 1950s. The purpose of the Oak Ridge ORALLOY Sphere (ORSphere) experiments was to estimate the unreflected and unmoderated critical mass of an idealized sphere of uranium metal corrected to a density, purity, and enrichment such that it could be compared with the GODIVAmore » I experiments. This critical configuration has been evaluated. Preliminary results were presented at ND2013. Since then, the evaluation was finalized and judged to be an acceptable benchmark experiment for the International Criticality Safety Benchmark Experiment Project (ICSBEP). Additionally, reactor physics measurements were performed to determine surface button worths, central void worth, delayed neutron fraction, prompt neutron decay constant, fission density and neutron importance. These measurements have been evaluated and found to be acceptable experiments and are discussed in full detail in the International Handbook of Evaluated Reactor Physics Benchmark Experiments. The purpose of this paper is summary summarize all the critical and reactor physics measurements evaluations and, when possible, to compare them to GODIVA experiment results.« less

Star Formation at z = 2.481 in the Lensed Galaxy SDSS J1110+6459: Star Formation Down to 30 pc Scales

NASA Astrophysics Data System (ADS)

Johnson, Traci L.; Rigby, Jane R.; Sharon, Keren; Gladders, Michael D.; Florian, Michael; Bayliss, Matthew B.; Wuyts, Eva; Whitaker, Katherine E.; Livermore, Rachael; Murray, Katherine T.

2017-07-01

We present measurements of the surface density of star formation, the star-forming clump luminosity function, and the clump size distribution function, for the lensed galaxy SGAS J111020.0+645950.8 at a redshift of z = 2.481. The physical size scales that we probe, radii r = 30-50 pc, are considerably smaller scales than have yet been studied at these redshifts. The star formation surface density we find within these small clumps is consistent with surface densities measured previously for other lensed galaxies at similar redshift. Twenty-two percent of the rest-frame ultraviolet light in this lensed galaxy arises from small clumps, with r< 100 pc. Within the range of overlap, the clump luminosity function measured for this lensed galaxy is remarkably similar to those of z˜ 0 galaxies. In this galaxy, star-forming regions smaller than 100 pc—physical scales not usually resolved at these redshifts by current telescopes—are important locations of star formation in the distant universe. If this galaxy is representative, this may contradict the theoretical picture in which the critical size scale for star formation in the distant universe is of the order of 1 kpc. Instead, our results suggest that current telescopes have not yet resolved the critical size scales of star-forming activity in galaxies over most of cosmic time. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555. These observations are associated with program #13003.

Non-specific binding and steric hindrance thresholds for penetration of particulate drug carriers within tumor tissue

PubMed Central

Dancy, Jimena G.; Wadajkar, Aniket S.; Schneider, Craig S.; Mauban, Joseph R.H.; Woodworth, Graeme F.; Winkles, Jeffrey A.; Kim, Anthony J.

2017-01-01

Therapeutic nanoparticles (NPs) approved for clinical use in solid tumor therapy provide only modest improvements in patient survival, in part due to physiological barriers that limit delivery of the particles throughout the entire tumor. Here, we explore the thresholds for NP size and surface poly(ethylene glycol) (PEG) density for penetration within tumor tissue extracellular matrix (ECM). We found that NPs as large as 62 nm, but less than 110 nm in diameter, diffused rapidly within a tumor ECM preparation (Matrigel) and breast tumor xenograft slices ex vivo. Studies of PEG-density revealed that increasing PEG density enhanced NP diffusion and that PEG density below a critical value led to adhesion of NP to ECM. Non-specific binding of NPs to tumor ECM components was assessed by surface plasmon resonance (SPR), which revealed excellent correlation with the particle diffusion results. Intravital microscopy of NP spread in breast tumor tissue confirmed a significant difference in tumor tissue penetration between the 62 and 110 nm PEG-PS NPs, as well as between PEG-coated and uncoated NPs. SPR assays also revealed that Abraxane, an FDA-approved non-PEGylated NP formulation used for cancer therapy, binds to tumor ECM. Our results establish limitations on the size and surface PEG density parameters required to achieve uniform and broad dispersion within tumor tissue and highlight the utility of SPR as a high throughput method to screen NPs for tumor penetration. PMID:27460683

Reduced impedance and superconductivity of SnAgCu solder alloy at high frequency

NASA Astrophysics Data System (ADS)

Yao, Wei; Basaran, Cemal

2012-10-01

Skin effect of lead-free solder joints is investigated over a wide frequency band. Contrary to common believe that `effective impedance of solder alloys increases with frequency', resistance tends to saturate when frequency reaches a critical value, 10 MHz for SAC solder alloys. Negative surface impedance growth rate is observed when employs square waveform AC current loading at high current density. Further increased frequency causes a dramatic reduction of effective resistance. At 11 MHz with current density of 106 A/cm2, effective resistance of solder alloy drops to near zero value.

Effect of Photodesorption on the Snow Lines at the Surface of Optically Thick Circumstellar Disks around Herbig Ae/Be Stars

NASA Astrophysics Data System (ADS)

Oka, Akinori; Inoue, Akio K.; Nakamoto, Taishi; Honda, Mitsuhiko

2012-03-01

We investigate the effect of photodesorption on the snow line position at the surface of a protoplanetary disk around a Herbig Ae/Be star, motivated by the detection of water ice particles at the surface of the disk around HD142527 by Honda et al. For this aim, we obtain the density and temperature structure in the disk with a 1+1D radiative transfer and determine the distribution of water ice particles in the disk by the balance between condensation, sublimation, and photodesorption. We find that photodesorption induced by far-ultraviolet radiation from the central star depresses the ice-condensation front toward the mid-plane and pushes the surface snow line significantly outward when the stellar effective temperature exceeds a certain critical value. This critical effective temperature depends on the stellar luminosity and mass, the water abundance in the disk, and the yield of photodesorption. We present an approximate analytic formula for the critical temperature. We separate Herbig Ae/Be stars into two groups on the HR diagram according to the critical temperature: one is the disks where photodesorption is effective and from which we may not find ice particles at the surface, and the other is the disks where photodesorption is not effective. We estimate the snow line position at the surface of the disk around HD142527 to be 100-300 AU, which is consistent with the water ice detection at >140 AU in the disk. All the results depend on the dust grain size in a complex way, and this point requires more work in the future.

Effect of Temperature on the Desorption of Lithium from Molybdenum(110) Surfaces: Implications for Fusion Reactor First Wall Materials

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

Chen, Mohan; Roszell, John; Scoullos, Emanuel V.

2016-03-30

Determining the strength of Li binding to Mo is critical to assessing the survivability of Li as a potential first wall material in fusion reactors. Here, we present the results of a joint experimental and theoretical investigation into how Li desorbs from Mo(110) surfaces, based on what can be deduced from temperature-programmed desorption measurements and density functional theory (DFT). Li desorption peaks measured at temperatures ranging from 711 K (1 monolayer, ML) to 1030 K (0.04 ML), with corresponding desorption onsets from 489 to 878 K, follow a trend similar to predicted Gibbs free energies for Li adsorption. Bader chargemore » analysis of DFT densities reveals that repulsive forces between neighboring positively charged Li atoms increase with coverage and thus reduce the bond strength between Mo and Li, thereby lowering the desorption temperature as the coverage increases. In addition, DFT predicts that Li desorbs at higher temperatures from a surface with vacancies than from a perfect surface, offering an explanation for the anomalously high desorption temperatures for the last Li to desorb from Mo(110). Analysis of simulated local densities of states indicates that the stronger binding to the defective surface is correlated with enhanced interaction between Li and Mo, involving the Li 2s electrons and not only the Mo 4d electrons as in the case of the pristine surface, but also the Mo 5s electrons in the case with surface vacancies. We suggest that steps and kinks present on the Mo(110) surface behave similarly and contribute to the high desorption temperatures. These findings imply that roughened Mo surfaces may strengthen Li film adhesion at higher temperatures.« less

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

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys, and superlattices: Theoretical study of Cu/graphite bonding

NASA Technical Reports Server (NTRS)

Lambrecht, Walter R. L.

1992-01-01

The goals of the research were to provide a fundamental science basis for why the bonding of Cu to graphite is weak, to critically evaluate the previous analysis of the wetting studies with particular regard to the values used for the surface energies of Cu and graphite, and to make recommendations for future experiments or other studies which could advance the understanding and solution of this technological problem. First principles electronic structure calculations were used to study the problem. These are based on density functional theory in the local density approximation and the use of the linear muffin-tin orbital band structure method. Calculations were performed for graphite monolayers, single crystal graphite with the hexagonal AB stacking, bulk Cu, Cu(111) surface, and Cu/graphite superlattices. The study is limited to the basal plane of graphite because this is the graphite plane exposed to Cu and graphite surface energies and combined with the measured contact angles to evaluate the experimental adhesion energy.

Functional Characterization of CaVα2δ Mutations Associated with Sudden Cardiac Death*

PubMed Central

Bourdin, Benoîte; Shakeri, Behzad; Tétreault, Marie-Philippe; Sauvé, Rémy; Lesage, Sylvie; Parent, Lucie

2015-01-01

L-type Ca2+ channels play a critical role in cardiac rhythmicity. These ion channels are oligomeric complexes formed by the pore-forming CaVα1 with the auxiliary CaVβ and CaVα2δ subunits. CaVα2δ increases the peak current density and improves the voltage-dependent activation gating of CaV1.2 channels without increasing the surface expression of the CaVα1 subunit. The functional impact of genetic variants of CACNA2D1 (the gene encoding for CaVα2δ), associated with shorter repolarization QT intervals (the time interval between the Q and the T waves on the cardiac electrocardiogram), was investigated after recombinant expression of the full complement of L-type CaV1.2 subunits in human embryonic kidney 293 cells. By performing side-by-side high resolution flow cytometry assays and whole-cell patch clamp recordings, we revealed that the surface density of the CaVα2δ wild-type protein correlates with the peak current density. Furthermore, the cell surface density of CaVα2δ mutants S755T, Q917H, and S956T was not significantly different from the cell surface density of the CaVα2δ wild-type protein expressed under the same conditions. In contrast, the cell surface expression of CaVα2δ D550Y, CaVα2δ S709N, and the double mutant D550Y/Q917H was reduced, respectively, by ≈30–33% for the single mutants and by 60% for the latter. The cell surface density of D550Y/Q917H was more significantly impaired than protein stability, suggesting that surface trafficking of CaVα2δ was disrupted by the double mutation. Co-expression with D550Y/Q917H significantly decreased CaV1.2 currents as compared with results obtained with CaVα2δ wild type. It is concluded that D550Y/Q917H reduced inward Ca2+ currents through a defect in the cell surface trafficking of CaVα2δ. Altogether, our results provide novel insight in the molecular mechanism underlying the modulation of CaV1.2 currents by CaVα2δ. PMID:25527503

Boiling and quenching heat transfer advancement by nanoscale surface modification.

PubMed

Hu, Hong; Xu, Cheng; Zhao, Yang; Ziegler, Kirk J; Chung, J N

2017-07-21

All power production, refrigeration, and advanced electronic systems depend on efficient heat transfer mechanisms for achieving high power density and best system efficiency. Breakthrough advancement in boiling and quenching phase-change heat transfer processes by nanoscale surface texturing can lead to higher energy transfer efficiencies, substantial energy savings, and global reduction in greenhouse gas emissions. This paper reports breakthrough advancements on both fronts of boiling and quenching. The critical heat flux (CHF) in boiling and the Leidenfrost point temperature (LPT) in quenching are the bottlenecks to the heat transfer advancements. As compared to a conventional aluminum surface, the current research reports a substantial enhancement of the CHF by 112% and an increase of the LPT by 40 K using an aluminum surface with anodized aluminum oxide (AAO) nanoporous texture finish. These heat transfer enhancements imply that the power density would increase by more than 100% and the quenching efficiency would be raised by 33%. A theory that links the nucleation potential of the surface to heat transfer rates has been developed and it successfully explains the current finding by revealing that the heat transfer modification and enhancement are mainly attributed to the superhydrophilic surface property and excessive nanoscale nucleation sites created by the nanoporous surface.

Determination of Critical Parameters Based on the Intensity of Transmitted Light Around Gas-Liquid Interface: Critical Parameters of CO

NASA Astrophysics Data System (ADS)

Nakayama, Masaki; Katano, Hiroaki; Sato, Haruki

2014-05-01

A precise determination of the critical temperature and density for technically important fluids would be possible on the basis of the digital image for the visual observation of the phase boundary in the vicinity of the critical point since the sensitivity and resolution are higher than those of naked eyes. In addition, the digital image can avoid the personal uncertainty of an observer. A strong density gradient occurs in a sample cell at the critical point due to gravity. It was carefully assessed to determine the critical density, where the density profile in the sample cell can be observed from the luminance profile of a digital image. The density-gradient profile becomes symmetric at the critical point. One of the best fluids, whose thermodynamic properties have been measured with the highest reliability among technically important fluids, would be carbon dioxide. In order to confirm the reliability of the proposed method, the critical temperature and density of carbon dioxide were determined using the digital image. The critical temperature and density values of carbon dioxide are ( and ( kg m, respectively. The critical temperature and density values agree with the existing best values within estimated uncertainties. The reliability of the method was confirmed. The critical pressure, 7.3795 MPa, corresponding to the determined critical temperature of 304.143 K is also proposed. A new set of parameters for the vapor-pressure equation is also provided.

Identifying the role of cytochromes upon the attachment, growth and detachment of Shewanella oneidensis MR-1 on hematite during dissimilatory iron reduction under natural- flow conditions

NASA Astrophysics Data System (ADS)

Mitchell, A. C.; Geesey, G. G.

2006-12-01

Current understanding of bacterial respiration by dissimilatory iron (Fe) reduction is based primarily on studies of closed systems using soluble Fe(III). However, natural environments likely to support Fe reduction are typically open systems and contain Fe(III) primarily in the form of crystalline (hydr)oxides. Mechanisms by which electrons are transported between bacteria and mineral terminal electron acceptors (TEAs) under open system conditions are still poorly understood. However, a number of cytochromes have been identified as potentially playing a critical role in the electron transport system of some Fe reducing bacteria. Experiments were performed using (i) omcA, (ii) mtrC, or (iii) omcA and mtrC cytochrome deficient mutants of the Fe-reducing bacteria, Shewanella oneidensis MR-1, in transparent-window flow- reactors containing hematite as the only TEA. These were operated under defined hydrodynamic and anaerobic conditions. Cells expressed green fluorescent protein (gfp), allowing real time measurement of cells at the mineral surface by epifluorescence microscopy. Cytochromes which play a critical role in the anaerobic growth of S. Oneidensis by Fe reduction under open system natural-flow conditions could then be identified. Differences in the accumulation, maximum density, detachment and total production of surface-associated cells growing on hematite surfaces were apparent between the mutants, and between the mutants and the wild-type. Mutants deficient in cytochromes grew to a lower max density by up to 2 orders of magnitude than the wild-type, and exhibited no reduced Fe in the reactor effluent or at the surface of the hematite at the conclusion of the experiment, as revealed by X-Ray photoelectron spectroscopy (XPS). Therefore omcA and / or mtrC cytochromes appear critical for electron shuttling and anaerobic growth of S. Oneidensis on hematite under natural-flow conditions.

Protein-scaffold Directed Nanoscale Assembly of T Cell Ligands: Artificial Antigen Presentation with Defined Valency, Density and Ratio.

PubMed

Smith, Mason R; Tolbert, Stephanie V; Wen, Fei

2018-05-07

Tuning antigen presentation to T cells is a critical step in investigating key aspects of T cell activation. However, existing technologies have limited ability to control the spatial and stoichiometric organization of T cell ligands on 3D surfaces. Here, we developed an artificial antigen presentation platform based on protein-scaffold directed assembly that allows fine control over the spatial and stoichiometric organization of T cell ligands on a 3D yeast-cell surface. Using this system, we observed that the T cell activation threshold on a 3D surface is independent of peptide-major histocompatibility complex (pMHC) valency, but instead determined by the overall pMHC surface density. When intercellular adhesion molecule 1 (ICAM-1) was co-assembled with pMHC, it enhanced antigen recognition sensitivity by 6-fold. Further, T cells responded with different magnitudes to varying ratios of pMHC and ICAM-1 and exhibited a maximum response at a ratio of 15% pMHC and 85% ICAM-1, introducing an additional parameter for tuning T cell activation. This protein-scaffold directed assembly technology is readily transferrable to acellular surfaces for translational research as well as large-scale T-cell manufacturing.

Cooling of hot bubbles by surface texture during the boiling crisis

NASA Astrophysics Data System (ADS)

Dhillon, Navdeep; Buongiorno, Jacopo; Varanasi, Kripa

2015-11-01

We report the existence of maxima in critical heat flux (CHF) enhancement for pool boiling on textured hydrophilic surfaces and reveal the interaction mechanism between bubbles and surface texture that governs the boiling crisis phenomenon. Boiling is a process of fundamental importance in many engineering and industrial applications but the maximum heat flux that can be absorbed by the boiling liquid (or CHF) is limited by the boiling crisis. Enhancing the CHF of industrial boilers by surface texturing can lead to substantial energy savings and reduction in greenhouse gas emissions on a global scale. However, the fundamental mechanisms behind this enhancement are not well understood, with some previous studies indicating that CHF should increase monotonically with increasing texture density. However, using pool boiling experiments on a parametrically designed set of plain and nano-textured micropillar surfaces, we show that there is an optimum intermediate texture density that maximizes CHF and further that the length scale of this texture is of fundamental significance. Using imbibition experiments and high-speed optical and infrared imaging, we reveal the fundamental mechanisms governing the CHF enhancement maxima in boiling crisis. We acknowledge funding from the Chevron corporation.

Variant surface glycoprotein density defines an immune evasion threshold for African trypanosomes undergoing antigenic variation.

PubMed

Pinger, Jason; Chowdhury, Shanin; Papavasiliou, F Nina

2017-10-10

Trypanosoma brucei is a protozoan parasite that evades its host's adaptive immune response by repeatedly replacing its dense variant surface glycoprotein (VSG) coat from its large genomic VSG repertoire. While the mechanisms regulating VSG gene expression and diversification have been examined extensively, the dynamics of VSG coat replacement at the protein level, and the impact of this process on successful immune evasion, remain unclear. Here we evaluate the rate of VSG replacement at the trypanosome surface following a genetic VSG switch, and show that full coat replacement requires several days to complete. Using in vivo infection assays, we demonstrate that parasites undergoing coat replacement are only vulnerable to clearance via early IgM antibodies for a limited time. Finally, we show that IgM loses its ability to mediate trypanosome clearance at unexpectedly early stages of coat replacement based on a critical density threshold of its cognate VSGs on the parasite surface. Trypanosoma brucei evades the host immune system through replacement of a variant surface glycoprotein (VSG) coat. Here, the authors show that VSG replacement takes several days to complete, and the parasite is vulnerable to the host immune system for a short period of time during the process.

A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model

NASA Astrophysics Data System (ADS)

Patel, Sandeep; Brooks, Charles L.

2005-01-01

We study the bulk and interfacial properties of methanol via molecular dynamics simulations using a CHARMM (Chemistry at HARvard Molecular Mechanics) fluctuating charge force field. We discuss the parametrization of the electrostatic model as part of the ongoing CHARMM development for polarizable protein force fields. The bulk liquid properties are in agreement with available experimental data and competitive with existing fixed-charge and polarizable force fields. The liquid density and vaporization enthalpy are determined to be 0.809 g/cm3 and 8.9 kcal/mol compared to the experimental values of 0.787 g/cm3 and 8.94 kcal/mol, respectively. The liquid structure as indicated by radial distribution functions is in keeping with the most recent neutron diffraction results; the force field shows a slightly more ordered liquid, necessarily arising from the enhanced condensed phase electrostatics (as evidenced by an induced liquid phase dipole moment of 0.7 D), although the average coordination with two neighboring molecules is consistent with the experimental diffraction study as well as with recent density functional molecular dynamics calculations. The predicted surface tension of 19.66±1.03 dyn/cm is slightly lower than the experimental value of 22.6 dyn/cm, but still competitive with classical force fields. The interface demonstrates the preferential molecular orientation of molecules as observed via nonlinear optical spectroscopic methods. Finally, via canonical molecular dynamics simulations, we assess the model's ability to reproduce the vapor-liquid equilibrium from 298 to 423 K, the simulation data then used to obtain estimates of the model's critical temperature and density. The model predicts a critical temperature of 470.1 K and critical density of 0.312 g/cm3 compared to the experimental values of 512.65 K and 0.279 g/cm3, respectively. The model underestimates the critical temperature by 8% and overestimates the critical density by 10%, and in this sense is roughly equivalent to the underlying fixed-charge CHARMM22 force field.

The influence of surface roughness and solution concentration on pool boiling process in Diethanolamine aqueous solution

NASA Astrophysics Data System (ADS)

Khoshechin, Mohsen; Salimi, Farhad; Jahangiri, Alireza

2018-04-01

In this research, the effect of surface roughness and concentration of solution on bubble departing frequency and nucleation site density for pool boiling of water/diethanolamine (DEA) binary solution were investigated experimentally. In this investigation, boiling heat transfer coefficient, bubble departing frequency and nucleation site density have been experimentally investigated in various concentrations and heat fluxes. Microstructured surfaces with a wide range of well-defined surface roughness were fabricated, and a heat flux between 1.5-86 kW/m2 was achieved under atmospheric conditions. The Results indicated that surface roughness and concentration of solution increase the bubble departing frequency and nucleation site density with increasing heat flux. The boiling heat transfer coefficient in mixtures of water/DEA increases with increasing concentration of DEA in water. The experimental results were compared with predictions of several used correlations in the literatures. Results showed that the boiling heat transfer coefficients of this case study are much higher than the predicted values by major existing correlations and models. The excellent agreement for bubble departing frequency found between the models of Jackob and Fritz (1966) and experimental data and also the nucleation site density were in close agreement with the model of Paul (1983) data. f bubble departure frequency, 1/s or Hz N Number of nucleation sites per area per time R c Minimum cavity size, m D c critical diameter, m g gravitational acceleration, m/s2 ρ density, kg/m3 T temperature, °c ΔT temperature difference, °c d d vapor bubble diameter, m h fg enthalpy of vaporization, J/kg R Roughness, μm Ja Jakob number cp specific heat, J/kg °c Pr Prandtl number Ar Archimedes number h Heat transfer coefficient, J/(m2 °c) tg time it takes to grow a bubble, s q/A heat flux (kW/m2) tw time required to heat the layer, s gc Correction coefficient of incompatible units R a Surface roughness A heated surface area d departure ONB onset of nucleate boiling w surface wall s saturation v vapor l liquid θ groove angle (o) γ influence parameter of heating surface material σ surface tension, N/m.

High-power-density, high-energy-density fluorinated graphene for primary lithium batteries

NASA Astrophysics Data System (ADS)

Zhong, Guiming; Chen, Huixin; Huang, Xingkang; Yue, Hongjun; Lu, Canzhong

2018-03-01

Li/CFx is one of the highest-energy-density primary batteries; however, poor rate capability hinders its practical applications in high-power devices. Here we report a preparation of fluorinated graphene (GFx) with superior performance through a direct gas fluorination. We find that the so-called “semi-ionic” C-F bond content in all C-F bonds presents a more critical impact on rate performance of the GFx in comparison with sp2 C content in the GFx, morphology, structure, and specific surface area of the materials. The rate capability remains excellent before the semi-ionic C-F bond proportion in the GFx decreases. Thus, by optimizing semi-ionic C-F content in our GFx, we obtain the optimal x of 0.8, with which the GF0.8 exhibits a very high energy density of 1073 Wh kg-1 and an excellent power density of 21460 W kg-1 at a high current density of 10 A g-1. More importantly, our approach opens a new avenue to obtain fluorinated carbon with high energy densities without compromising high power densities.

Rayleigh-Bénard-Marangoni convection in a weakly non-Boussinesq fluid layer with a deformable surface

NASA Astrophysics Data System (ADS)

Lyubimov, D. V.; Lyubimova, T. P.; Lobov, N. I.; Alexander, J. I. D.

2018-02-01

The influence of surface deformations on the Rayleigh-Bénard-Marangoni instability of a uniform layer of a non-Boussinesq fluid heated from below is investigated. In particular, the stability of the conductive state of a horizontal fluid layer with a deformable surface, a flat isothermal rigid lower boundary, and a convective heat transfer condition at the upper free surface is considered. The fluid is assumed to be isothermally incompressible. In contrast to the Boussinesq approximation, density variations are accounted for in the continuity equation and in the buoyancy and inertial terms of the momentum equations. Two different types of temperature dependence of the density are considered: linear and exponential. The longwave instability is studied analytically, and instability to perturbations with finite wavenumber is examined numerically. It is found that there is a decrease in stability of the system with respect to the onset of longwave Marangoni convection. This result could not be obtained within the framework of the conventional Boussinesq approximation. It is also shown that at Ma = 0 the critical Rayleigh number increases with Ga (the ratio of gravity to viscous forces or Galileo number). At some value of Ga, the Rayleigh-Bénard instability vanishes. This stabilization occurs for each of the density equations of state. At small values of Ga and when deformation of the free surface is important, it is shown that there are significant differences in stability behavior as compared to results obtained using the Boussinesq approximation.

A Modeling and Experimental Investigation of the Effects of Antigen Density, Binding Affinity, and Antigen Expression Ratio on Bispecific Antibody Binding to Cell Surface Targets*

PubMed Central

Rhoden, John J.; Dyas, Gregory L.

2016-01-01

Despite the increasing number of multivalent antibodies, bispecific antibodies, fusion proteins, and targeted nanoparticles that have been generated and studied, the mechanism of multivalent binding to cell surface targets is not well understood. Here, we describe a conceptual and mathematical model of multivalent antibody binding to cell surface antigens. Our model predicts that properties beyond 1:1 antibody:antigen affinity to target antigens have a strong influence on multivalent binding. Predicted crucial properties include the structure and flexibility of the antibody construct, the target antigen(s) and binding epitope(s), and the density of antigens on the cell surface. For bispecific antibodies, the ratio of the expression levels of the two target antigens is predicted to be critical to target binding, particularly for the lower expressed of the antigens. Using bispecific antibodies of different valencies to cell surface antigens including MET and EGF receptor, we have experimentally validated our modeling approach and its predictions and observed several nonintuitive effects of avidity related to antigen density, target ratio, and antibody affinity. In some biological circumstances, the effect we have predicted and measured varied from the monovalent binding interaction by several orders of magnitude. Moreover, our mathematical framework affords us a mechanistic interpretation of our observations and suggests strategies to achieve the desired antibody-antigen binding goals. These mechanistic insights have implications in antibody engineering and structure/activity relationship determination in a variety of biological contexts. PMID:27022022

New Comment on Gibbs Density Surface of Fluid Argon: Revised Critical Parameters, L. V. Woodcock, Int. J. Thermophys. (2014) 35, 1770-1784

NASA Astrophysics Data System (ADS)

Umirzakov, I. H.

2018-01-01

The author comments on an article by Woodcock (Int J Thermophys 35:1770-1784, 2014), who investigates the idea of a critical line instead of a single critical point using the example of argon. In the introduction, Woodcock states that "The Van der Waals critical point does not comply with the Gibbs phase rule. Its existence is based upon a hypothesis rather than a thermodynamic definition". The present comment is a response to the statement by Woodcock. The comment mathematically demonstrates that a critical point is not only based on a hypothesis that is used to define values of two parameters of the Van der Waals equation of state. Instead, the author argues that a critical point is a direct consequence of the thermodynamic phase equilibrium conditions resulting in a single critical point. It is shown that the thermodynamic conditions result in the first and second partial derivatives of pressure with respect to volume at constant temperature at a critical point equal to zero which are usual conditions of an existence of a critical point.

Sulfur-doped nanoporous carbon spheres with ultrahigh specific surface area and high electrochemical activity for supercapacitor

NASA Astrophysics Data System (ADS)

Liu, Simin; Cai, Yijin; Zhao, Xiao; Liang, Yeru; Zheng, Mingtao; Hu, Hang; Dong, Hanwu; Jiang, Sanping; Liu, Yingliang; Xiao, Yong

2017-08-01

Development of facile and scalable synthesis process for the fabrication of nanoporous carbon materials with large specific surface areas, well-defined nanostructure, and high electrochemical activity is critical for the high performance energy storage applications. The key issue is the dedicated balance between the ultrahigh surface area and highly porous but interconnected nanostructure. Here, we demonstrate the fabrication of new sulfur doped nanoporous carbon sphere (S-NCS) with the ultrahigh surface area up to 3357 m2 g-1 via a high-temperature hydrothermal carbonization and subsequent KOH activation process. The as-prepared S-NCS which integrates the advantages of ultrahigh porous structure, well-defined nanospherical and modification of heteroatom displays excellent electrochemical performance. The best performance is obtained on S-NCS prepared by the hydrothermal carbonization of sublimed sulfur and glucose, S-NCS-4, reaching a high specific capacitance (405 F g-1 at a current density of 0.5 A g-1) and outstanding cycle stability. Moreover, the symmetric supercapacitor is assembled by S-NCS-4 displays a superior energy density of 53.5 Wh kg-1 at the power density of 74.2 W kg-1 in 1.0 M LiPF6 EC/DEC. The synthesis method is simple and scalable, providing a new route to prepare highly porous and heteroatom-doped nanoporous carbon spheres for high performance energy storage applications.

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.

Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

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

PubMed

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

2018-03-28

A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO 2 ). The molecular model of CO 2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

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

Sulfur-vacancy-dependent geometric and electronic structure of bismuth adsorbed on Mo S2

NASA Astrophysics Data System (ADS)

Park, Youngsin; Li, Nannan; Lee, Geunsik; Kim, Kwang S.; Kim, Ki-Jeong; Hong, Soon Cheol; Han, Sang Wook

2018-03-01

Through Bi deposition on the single-crystalline Mo S2 surface, we find that the density of the sulfur vacancy is a critical parameter for the growth of the crystalline Bi overlayer or cluster at room temperature. Also, the Mo S2 band structure is significantly modified near Γ due to the orbital hybridization with an adsorbed Bi monolayer. Our experimental observations and analysis in combination with density functional theory calculation suggest the importance of controlling the sulfur vacancy concentration in realizing an exotic quantum phase based on the van der Waals interface of Bi and Mo S2 .

MgB2 wire diameter reduction by hot isostatic pressing—a route for enhanced critical current density

NASA Astrophysics Data System (ADS)

Morawski, A.; Cetner, T.; Gajda, D.; Zaleski, A. J.; Häßler, W.; Nenkov, K.; Rindfleisch, M. A.; Tomsic, M.; Przysłupski, P.

2018-07-01

The effect of wire diameter reduction on the critical current density of pristine MgB2 wire was studied. Wires were treated by a hot isostatic pressing method at 570 °C and at pressures of up to 1.1 GPa. It was found that the wire diameter reduction induces an increase of up to 70% in the mass density of the superconducting cores. This feature leads to increases in critical current, critical current density, and pinning force density. The magnitude and field dependence of the critical current density are related to both grain connectivity and structural defects, which act as effective pinning centers. High field transport properties were obtained without doping of the MgB2 phase. A critical current density jc of 3500 A mm‑2 was reached at 4 K, 6 T for the best sample, which was a five-fold increase compared to MgB2 samples synthesized at ambient pressure.

Understanding road surface pollutant wash-off and underlying physical processes using simulated rainfall.

PubMed

Egodawatta, Prasanna; Goonetilleke, Ashantha

2008-01-01

Pollutant wash-off is one of the key pollutant processes that detailed knowledge is required in order to develop successful treatment design strategies for urban stormwater. Unfortunately, current knowledge relating to pollutant wash-off is limited. This paper presents the outcomes of a detailed investigation into pollutant wash-off on residential road surfaces. The investigations consisted of research methodologies formulated to overcome the physical constraints due to the heterogeneity of urban paved surfaces and the dependency on naturally occurring rainfall. This entailed the use of small road surface plots and artificially simulated rainfall. Road surfaces were selected due to its critical importance as an urban stormwater pollutant source. The study results showed that the influence of initially available pollutants on the wash-off process was limited. Furthermore, pollutant wash-off from road surfaces can be replicated using an exponential equation. However, the typical version of the exponential wash-off equation needs to be modified by introducing a non dimensional factor referred to as 'capacity factor' CF. Three rainfall intensity ranges were identified where the variation of CF can be defined. Furthermore, it was found that particulate density rather than size is the critical parameter that influences the process of pollutant wash-off. (c) IWA Publishing 2008.

Analysis of a terminal landing on Mars

NASA Astrophysics Data System (ADS)

Tuckness, Dan G.

1995-01-01

This study consists of a preliminary performance and sensitivity assessment of trajectory and guidance capabilities of a Mars terminal landing phase. The phase begins with the end of the entry phase, which is at parachute deployment. Therefore, the trajectory investigated in this study starts at parachute deployment and continues through parachute jettison and finally propulsive deceleration and maneuvering to a specified landing site. Various landing navigation maneuver schemes and environmental conditions for the lander are investigated and their performance analyzed. Effects of atmospheric density and surface wind deviations on landing guidance are investigated using stochastic wind and density models. Simulation shows that the lander guidance is robust to wind and density dispersions. Density dispersions are found to be more critical for a precision landing than wind dispersions. Also, because of the aerodynamic characteristics of current aeroshell vehicle designs, very little terminal maneuvering is allowed for navigation.

Enhanced electron-phonon coupling near the lattice instability of superconducting NbC1-xNx from density-functional calculations

NASA Astrophysics Data System (ADS)

Blackburn, Simon; Côté, Michel; Louie, Steven G.; Cohen, Marvin L.

2011-09-01

Using density-functional theory within the local-density approximation, we study the electron-phonon coupling in NbC1-xNx and NbN crystals in the rocksalt structure. The Fermi surface of these systems exhibits important nesting. The associated Kohn anomaly greatly increases the electron-phonon coupling and induces a structural instability when the electronic density of states reaches a critical value. Our results reproduce the observed rise in Tc from 11.2 to 17.3 K as the nitrogen doping is increased in NbC1-xNx. To further understand the contribution of the structural instability to the rise of the superconducting temperature, we develop a model for the Eliashberg spectral function in which the effect of the unstable phonons is set apart. We show that this model together with the McMillan formula can reproduce the increase of Tc near the structural phase transition.

Elementary surface chemistry during CuO/Al nanolaminate-thermite synthesis: copper and oxygen deposition on aluminum (111) surfaces.

PubMed

Lanthony, Cloé; Guiltat, Mathilde; Ducéré, Jean Marie; Verdier, Agnes; Hémeryck, Anne; Djafari-Rouhani, Mehdi; Rossi, Carole; Chabal, Yves J; Estève, Alain

2014-09-10

The surface chemistry associated with the synthesis of energetic nanolaminates controls the formation of the critical interfacial layers that dominate the performances of nanothermites. For instance, the interaction of Al with CuO films or CuO with Al films needs to be understood to optimize Al/CuO nanolaminates. To that end, the chemical mechanisms occurring during early stages of molecular CuO adsorption onto crystalline Al(111) surfaces are investigated using density functional theory (DFT) calculations, leading to the systematic determination of their reaction enthalpies and associated activation energies. We show that CuO undergoes dissociative chemisorption on Al(111) surfaces, whereby the Cu and O atoms tend to separate from each other. Both Cu and O atoms form islands with different properties. Copper islanding fosters Cu insertion (via surface site exchange mechanism) into the subsurface, while oxygen islands remain stable at the surface. Above a critical local oxygen coverage, aluminum atoms are extracted from the Al surface, leading to oxygen-aluminum intermixing and the formation of aluminum oxide (γ-alumina). For Cu and O co-deposition, copper promotes oxygen-aluminum interaction by oxygen segregation and separates the resulting oxide from the Al substrate by insertion into Al and stabilization below the oxide front, preventing full mixing of Al, Cu, and O species.

Electric Double Layer Composed of an Antagonistic Salt in an Aqueous Mixture: Local Charge Separation and Surface Phase Transition

NASA Astrophysics Data System (ADS)

Yabunaka, Shunsuke; Onuki, Akira

2017-09-01

We examine an electric double layer containing an antagonistic salt in an aqueous mixture, where the cations are small and hydrophilic but the anions are large and hydrophobic. In this situation, a strong coupling arises between the charge density and the solvent composition. As a result, the anions are trapped in an oil-rich adsorption layer on a hydrophobic wall. We then vary the surface charge density σ on the wall. For σ >0 the anions remain accumulated, but for σ <0 the cations are attracted to the wall with increasing |σ |. Furthermore, the electric potential drop Ψ (σ ) is nonmonotonic when the solvent interaction parameter χ (T ) exceeds a critical value χc determined by the composition and the ion density in the bulk. This leads to a first-order phase transition between two kinds of electric double layers with different σ and common Ψ . In equilibrium such two-layer regions can coexist. The steric effect due to finite ion sizes is crucial in these phenomena.

The reduction of optimal heat treatment temperature and critical current density enhancement of ex situ processed MgB2 tapes using ball milled filling powder

NASA Astrophysics Data System (ADS)

Fujii, Hiroki; Iwanade, Akio; Kawada, Satoshi; Kitaguchi, Hitoshi

2018-01-01

The optimal heat treatment temperature (Topt) at which best performance in the critical current density (Jc) property at 4.2 K is obtained is influenced by the quality or reactivity of the filling powder in ex situ processed MgB2 tapes. Using a controlled fabrication process, the Topt decreases to 705-735 °C, which is lower than previously reported by more than 50 °C. The Topt decrease is effective to suppress both the decomposition of MgB2 and hence the formation of impurities such as MgB4, and the growth of crystallite size which decreases upper critical filed (Hc2). These bring about the Jc improvement and the Jc value at 4.2 K and 10 T reaches 250 A/mm2. The milling process also decreases the critical temperature (Tc) below 30 K. The milled powder is easily contaminated in air and thus, the Jc property of the contaminated tapes degrades severely. The contamination can raise the Topt by more than 50 °C, which is probably due to the increased sintering temperature required against contaminated surface layer around the grains acting as a barrier.

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.

In vitro characterization of peptide-modified p(AAm-co-EG/AAc) IPN-coated titanium implants.

PubMed

Barber, Thomas A; Gamble, Lara J; Castner, David G; Healy, Kevin E

2006-07-01

Interpenetrating polymer networks (IPNs) of poly(acrylamide-co-ethylene glycol/acrylic acid) [p(AAm-co-EG/AAc)] functionalized with an -Arg-Gly-Asp- containing peptide derived from rat bone sialoprotein [bsp-RGD(15)] were grafted to titanium implants in an effort to modulate osteoblast behavior in vitro. Surface characterization data were consistent with the presence of an IPN, and ligand density measurements established that the range of peptide density on the modified implants spanned three orders of magnitude (0.01-20 pmol/cm2). In vitro biological characterization of the modified implants employing the primary rat calvarial osteoblast (RCO) model resulted in the identification of a critical ligand density (0.01

Expression of terrain and surface geology in high-resolution helicopter-borne gravity gradient (AGG) data: examples from Great Sand Dunes National Park, Rio Grande Rift, Colorado

USGS Publications Warehouse

Drenth, Benjamin J.

2013-01-01

Airborne gravity gradient (AGG) data are rapidly becoming standard components of geophysical mapping programs, due to their advantages in cost, access, and resolution advantages over measurements of the gravity field on the ground. Unlike conventional techniques that measure the gravity field, AGG methods measure derivatives of the gravity field. This means that effects of terrain and near-surface geology are amplified in AGG data, and that proper terrain corrections are critically important for AGG data processing. However, terrain corrections require reasonable estimates of density for the rocks and sediments that make up the terrain. A recommended philosophical approach is to use the terrain and surface geology, with their strong expression in AGG data, to the interpreter’s advantage. An example of such an approach is presented here for an area with very difficult ground access and little ground gravity data. Nettleton-style profiling is used with AGG data to estimate the densities of the sand dunefield and adjacent Precambrian rocks from the area of Great Sand Dunes National Park in southern Colorado. Processing of the AGG data using the density estimate for the dunefield allows buried structures, including a hypothesized buried basement bench, to be mapped beneath the sand dunes.

Negative differential electrolyte resistance in a solid-state nanopore resulting from electroosmotic flow bistability.

PubMed

Luo, Long; Holden, Deric A; White, Henry S

2014-03-25

A solid-state nanopore separating two aqueous solutions containing different concentrations of KCl is demonstrated to exhibit negative differential resistance (NDR) when a constant pressure is applied across the nanopore. NDR refers to a decrease in electrical current when the voltage applied across the nanopore is increased. NDR results from the interdependence of solution flow (electroosmotic and pressure-engendered) with the distributions of K+ and Cl- within the nanopore. A switch from a high-conductivity state to a low-conductivity state occurs over a very narrow voltage window (<2 mV) that depends on the nanopore geometry, electrolyte concentration, and nanopore surface charge density. Finite element simulations based on a simultaneous solution of the Navier-Stokes, Poisson, and Nernst-Planck equations demonstrate that NDR results from a positive feedback mechanism between the ion distributions and electroosmotic flow, yielding a true bistability in fluid flow and electrical current at a critical applied voltage, i.e., the NDR "switching potential". Solution pH and Ca2+ were separately employed as chemical stimuli to investigate the dependence of the NDR on the surface charge density. The NDR switching potential is remarkably sensitive to the surface charge density, and thus to pH and the presence of Ca2+, suggesting possible applications in chemical sensing.

An efficient and economical way to enhance the performance of present HTS Maglev systems by utilizing the anisotropy property of bulk superconductors

NASA Astrophysics Data System (ADS)

Deng, Zigang; Wang, Jiasu; Zheng, Jun; Zhang, Ya; Wang, Suyu

2013-02-01

We report a simple, efficient and economical way to enhance the levitation or guidance performance of present high-temperature superconducting (HTS) Maglev systems by exploring the anisotropic properties of the critical current density in the a-b plane and along the c-axis of bulk superconductors. In the method, the bulk laying mode with different c-axis directions is designed to match with the magnetic field configuration of the applied permanent magnet guideway (PMG). Experimental results indicate that more than a factor of two improvement in the levitation force or guidance force is achieved when changing the laying mode of bulk superconductors from the traditional fashion of keeping the c-axis vertical to the PMG surface to the studied one of keeping the c-axis parallel to the PMG surface, at the maximum horizontal and vertical magnetic field positions of the PMG, respectively. These phenomena resulted from the physical nature of the generated levitation force and guidance force (electromagnetic forces) and the fact that there are different critical current densities in the a-b plane and along the c axis. Based on the experimental results, new HTS Maglev systems can be designed to meet the requirements of practical heavy-load or curved-route applications.

Physical limit of stability in supercooled D2O and D2O+H2O mixtures

NASA Astrophysics Data System (ADS)

Kiselev, S. B.; Ely, J. F.

2003-01-01

The fluctuation theory of homogeneous nucleation was applied for calculating the physical boundary of metastable states, the kinetic spinodal, in supercooled D2O and D2O+H2O mixtures. The kinetic spinodal in our approach is completely determined by the surface tension and equation of state of the supercooled liquid. We developed a crossover equation of state for supercooled D2O, which predicts a second critical point of low density water-high density water equilibrium, CP2, and represents all available experimental data in supercooled D2O within experimental accuracy. Using Turnbull's expression for the surface tension we calculated with the crossover equation of state for supercooled D2O the kinetic spinodal, TKS, which lies below the homogeneous nucleation temperature, TH. We show that CP2 always lies inside in the so-called "nonthermodynamic habitat" and physically does not exist. However, the concept of a second "virtual" critical point is physical and very useful. Using this concept we have extended this approach to supercooled D2O+H2O mixtures. As an example, we consider here an equimolar D2O+H2O mixture in normal and supercooled states at atmospheric pressure, P=0.1 MPa.

Large deployable antenna program. Phase 1: Technology assessment and mission architecture

NASA Technical Reports Server (NTRS)

Rogers, Craig A.; Stutzman, Warren L.

1991-01-01

The program was initiated to investigate the availability of critical large deployable antenna technologies which would enable microwave remote sensing missions from geostationary orbits as required for Mission to Planet Earth. Program goals for the large antenna were: 40-meter diameter, offset-fed paraboloid, and surface precision of 0.1 mm rms. Phase 1 goals were: to review the state-of-the-art for large, precise, wide-scanning radiometers up to 60 GHz; to assess critical technologies necessary for selected concepts; to develop mission architecture for these concepts; and to evaluate generic technologies to support the large deployable reflectors necessary for these missions. Selected results of the study show that deployable reflectors using furlable segments are limited by surface precision goals to 12 meters in diameter, current launch vehicles can place in geostationary only a 20-meter class antenna, and conceptual designs using stiff reflectors are possible with areal densities of 2.4 deg/sq m.

Pressure dependence of critical temperature of bulk FeSe from spin fluctuation theory

NASA Astrophysics Data System (ADS)

Hirschfeld, Peter; Kreisel, Andreas; Wang, Yan; Tomic, Milan; Jeschke, Harald; Jacko, Anthony; Valenti, Roser; Maier, Thomas; Scalapino, Douglas

2013-03-01

The critical temperature of the 8K superconductor FeSe is extremely sensitive to pressure, rising to a maximum of 40K at about 10GPa. We test the ability of the current generation of fluctuation exchange pairing theories to account for this effect, by downfolding the density functional theory electronic structure for each pressure to a tight binding model. The Fermi surface found in such a procedure is then used with fixed Hubbard parameters to determine the pairing strength using the random phase approximation for the spin singlet pairing vertex. We find that the evolution of the Fermi surface captured by such an approach is alone not sufficient to explain the observed pressure dependence, and discuss alternative approaches. PJH, YW, AK were supported by DOE DE-FG02-05ER46236, the financial support of MT, HJ, and RV from the DFG Schwerpunktprogramm 1458 is kindly acknowledged.

Absorption of charged particulate surfactants in microfluidics

NASA Astrophysics Data System (ADS)

Kong, Tiantian; Liu, Zhou; Yao, Xiaoxue; Liu, Yaming

2017-11-01

We use microfluidics to uncouple the generation of Pickering emulsion droplets and stability analysis against coalescence. By designing the microchannels, we control the packing time for charged particles arriving at the droplet interfaces, and subsequently test the droplet stability in a coalescence chamber. The critical particle coverage on interfaces that prevents coalescence are estimated by an adsorption model. We further investigate the dependence of the critical particle coverage on its properties such as particle sizes, surface charge densities, and bulk concentrations. Our studies are potentially beneficial to the applications involving particle-stabilized droplets including cosmetics, food products, and oil recovery. NSFC 11504238,JCYJ20160308092144035,2016A050503048.

Atomic scale study of surface orientations and energies of Ti 2 O 3 crystals

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

Gu, Meng; Wang, Zhiguo; Wang, Chongmin

2017-10-30

For nanostructured particles, the faceting planes and their terminating chemical species are two critical factors that govern the chemical behavior of the particle. The surface atomistic structure and termination of the Ti2O3 crystals were analyzed using atomic-scale aberration-corrected scanning transmission electron microscopy (STEM) combining with density functional theory (DFT) calculations. STEM imaging reveals that the Ti2O3 crystal are most often faceted along (001), (012), (-114) and (1-20) planes. DFT calculation indicates that the (012) surface with TiO-termination have the lowest cleavage energy and correspondingly the lowest surface energy, indicating that (012) will be the most stable and prevalent surfaces inmore » Ti2O3 nanocrystals. These observations provide insights for exploring the interfacial process involving Ti2O3 nanoparticles.« less

Evidence for intertwined superfluid and density wave order in two dimensional 4He

NASA Astrophysics Data System (ADS)

Saunders, John

2015-03-01

We report the identification of a new state of quantum matter with intertwined superfluid and density wave order in a system of two dimensional bosons subject to a triangular lattice potential. Using a torsional oscillator we have measured the response of the second atomic layer of 4He adsorbed on the surface of graphite over a wide temperature range down to 2 mK. Superfluidity is observed over a narrow range of film densities, emerging suddenly and collapsing towards a quantum critical point, near to layer completion where a Mott insulating phase is predicted to form. The unusual temperature dependence of the superfluid density in the T --> 0 limit and the absence of a clear superfluid onset temperature are explained, self-consistently, by an ansatz for the excitation spectrum, reflecting density wave order, and a quasi-condensate wavefunction breaking both gauge and translational symmetry. In collaboration with Jan Nyeki, Anastasia Phillis, Andrew Ho, Derek Lee, Piers Coleman, Jeevak Parpia, Brian Cowan. Supported by EPSRC (U.K) EP/H048375/1.

Surface order in cold liquids: X-ray reflectivity studies of dielectric liquids and comparison to liquid metals

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

Chattopadhyay, S.; Ehrlich, S.; Uysal, A.

2010-05-17

Oscillatory surface-density profiles layers have previously been reported in several metallic liquids, one dielectric liquid, and in computer simulations of dielectric liquids. We have now seen surface layers in two other dielectric liquids, pentaphenyl trimethyl trisiloxane, and pentavinyl pentamethyl cyclopentasiloxane. These layers appear below T?285 K and T?130 K, respectively; both thresholds correspond to T/Tc?0.2 where Tc is the liquid-gas critical temperature. All metallic and dielectric liquid surfaces previously studied are also consistent with the existence of this T/Tc threshold, first indicated by the simulations of Chacon et al. The layer width parameters, determined using a distorted-crystal fitting model, followmore » common trends as functions of Tc for both metallic and dielectric liquids.« less

Correlation of Water Frost Porosity in Laminar Flow over Flat Surfaces

NASA Technical Reports Server (NTRS)

Kandula, Max

2011-01-01

A dimensionless correlation has been proposed for water frost porosity expressing its dependence on frost surface temperature and Reynolds number for laminar forced flow over a flat surface. The correlation is presented in terms of a dimensionless frost surface temperature scaled with the cold plate temperature, and the freezing temperature. The flow Reynolds number is scaled with reference to the critical Reynolds number for laminar-turbulent transition. The proposed correlation agrees satisfactorily with the simultaneous measurements of frost density and frost surface temperature covering a range of plate temperature, ambient air velocity, humidity, and temperature. It is revealed that the frost porosity depends primarily on the frost surface and the plate temperatures and the flow Reynolds number, and is only weakly dependent on the relative humidity. The results also point out the general character of frost porosity displaying a decrease with an increase in flow Reynolds number.

Winds of change: reionization by starburst galaxies

NASA Astrophysics Data System (ADS)

Sharma, Mahavir; Theuns, Tom; Frenk, Carlos; Bower, Richard G.; Crain, Robert A.; Schaller, Matthieu; Schaye, Joop

2017-06-01

We investigate the properties of the galaxies that reionized the Universe and the history of cosmic reionization using the 'Evolution and Assembly of Galaxies and their Environments' (eagle) cosmological hydrodynamical simulations. We obtain the evolution of the escape fraction of ionizing photons in galaxies assuming that galactic winds create channels through which 20 per cent of photons escape when the local surface density of star formation is greater than 0.1 M⊙ yr-1 kpc-2. Such threshold behaviour for the generation of winds is observed, and the rare local objects that have such high star formation surface densities exhibit high escape fractions of ˜10 per cent. In our model, the luminosity-weighted mean escape fraction increases with redshift as \\bar{f}_esc=0.045 ((1+z)/4)^{1.1} at z > 3, and the galaxy number weighted mean as = 2.2 × 10-3 ((1 + z)/4)4, and becomes constant ≈0.2 at redshift z > 10. The escape fraction evolves as an increasingly large fraction of stars forms above the critical surface density of star formation at earlier times. This evolution of the escape fraction, combined with that of the star formation rate density from eagle, reproduces the inferred evolution of the filling factor of ionized regions during the reionization epoch (6 < z < 8), the evolution of the post-reionization (0 ≤ z < 6) hydrogen photoionization rate and the optical depth due to Thomson scattering of the cosmic microwave background photons measured by the Planck satellite.

PVT properties and vapor-pressures of ordinary water substance in the critical region

NASA Astrophysics Data System (ADS)

Morita, T.; Sato, H.; Uematsu, M.; Watanabe, K.

1989-03-01

For the purpose of revealing the rather complicated thermodynamic surface of ordinary water substance in the critical region, a series of measurements of the PVT properties and the vapor-pressures of this technically important fluid have been performed by means of a constant-volume method. Ninety-three PVT measurements along 14 isotherms between 638.15 K and 652.15 K have been completed covering pressures from 18.5 to 39.2 MPa and densities from 122 to 610kg/m 3. Twenty-six vapor-pressure measurements have also been performed at temperatures between 620.15 K and 647.05 K in the near vicinity of the critical point. Our measurements are compared with other available experimental data as well as with several equations of state. We also propose a new vapor-pressure correlation from the triple point to the critical point.

Interplay between Self-Assembled Structures and Energy Level Alignment of Benzenediamine on Au(111) Surfaces

NASA Astrophysics Data System (ADS)

Li, Guo; Neaton, Jeffrey

2015-03-01

Using van der Waals-corrected density functional theory (DFT) calculations, we study the adsorption of benzene-diamine (BDA) molecules on Au(111) surfaces. We find that at low surface coverage, the adsorbed molecules prefer to stay isolated from each other in a monomer phase, due to the inter-molecular dipole-dipole repulsions. However, when the coverage rises above a critical value of 0.9nm-2, the adsorbed molecules aggregate into linear structures via hydrogen bonding between amine groups, consistent with recent experiments [Haxton, Zhou, Tamblyn, et al, Phys. Rev. Lett. 111, 265701 (2013)]. Moreover, we find that these linear structures at high density considerably reduces the Au work function (relative to a monomer phase). Due to reduced surface polarization effects, we estimate that the resonance energy of the highest occupied molecular orbital of the adsorbed BDA molecule relative to the Au Fermi level is significantly lower than the monomer phase by more than 0.5 eV, consistent with the experimental measurements [DellAngela, Kladnik, and Cossaro, et al., Nano Lett. 10, 2470 (2010)]. This work supported by DOE (the JCAP under Award Number DE-SC000499 and the Molecular Foundry of LBNL), and computational resources provided by NERSC.

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

Recent Rise in West Greenland Surface Melt and Firn Density Driven by North Atlantic SSTs and Blocking Events

NASA Astrophysics Data System (ADS)

Osterberg, E. C.; Graeter, K.; Hawley, R. L.; Marshall, H. P.; Ferris, D. G.; Lewis, G.; Birkel, S. D.; Meehan, T.; McCarthy, F.

2017-12-01

The Greenland Ice Sheet (GrIS) has been losing mass since at least the early 2000s, mostly due to enhanced surface melt. Approximately 40% of the surface melt currently generated on the GrIS percolates into the snow/firn and refreezes, where it has no immediate impact on GrIS mass balance or sea-level rise. However, in situ observations of surface melt are sparse, and thus it remains unclear how melt water percolation and refreezing are modifying the GrIS percolation zone under recent warming. In addition, understanding the climatic drivers behind the recent increase in melt is critical for accurately predicting future GrIS surface melt rates and contributions to sea-level rise. Here we show that there have been significant increases in melt refreeze and firn density over the past 30-50 years along a 250 km-long region of the Western Greenland percolation zone (2137 - 2218 m elevation). We collected seven shallow firn cores as part of the 2016 Greenland Traverse for Accumulation and Climate Studies (GreenTrACS), analyzed each for melt layer stratigraphy and density, and developed timescales for each based on annual layer counting of seasonal chemical oscillations (e.g. δ18O, dust, and biogenic sulfur). The cores indicate that refrozen melt layers have increased 2- to 9-fold since 1970, with statistically significant (p < 0.05) linear trends at the five southernmost core sites. Comparisons of two GreenTrACS cores to co-located PARCA cores collected in 1998 reveal significant (p < 0.05) increases in density averaged over the top 10 m of firn ranging from 32-42 kg/m3. Recent density increases closely correspond with the locations of refrozen melt water. We use output from the MARv3.7 Regional Climate Model to assess climatic forcing of surface melt at GreenTrACS sites, and find significant summer-to-summer correlations between melt generation and the frequency of blocking high pressure centers over Greenland (represented by the Greenland Blocking Index; GBI), and with North Atlantic sea surface temperatures (represented by the Atlantic Multidecadal Oscillation; AMO). Thus, future surface melt rates in Western Greenland depend on the complex evolution of the GBI and AMO under anthropogenic forcing, both of which remain poorly constrained in 21st century model projections.

Method for determining transport critical current densities and flux penetration depth in bulk superconductors

NASA Technical Reports Server (NTRS)

Israelsson, Ulf E. (Inventor); Strayer, Donald M. (Inventor)

1992-01-01

A contact-less method for determining transport critical current density and flux penetration depth in bulk superconductor material. A compressor having a hollow interior and a plunger for selectively reducing the free space area for distribution of the magnetic flux therein are formed of superconductor material. Analytical relationships, based upon the critical state model, Maxwell's equations and geometrical relationships define transport critical current density and flux penetration depth in terms of the initial trapped magnetic flux density and the ratio between initial and final magnetic flux densities whereby data may be reliably determined by means of the simple test apparatus for evaluating the current density and flux penetration depth.

Thermal effects on electronic properties of CO/Pt(111) in water.

PubMed

Duan, Sai; Xu, Xin; Luo, Yi; Hermansson, Kersti; Tian, Zhong-Qun

2013-08-28

Structure and adsorption energy of carbon monoxide molecules adsorbed on the Pt(111) surfaces with various CO coverages in water as well as work function of the whole systems at room temperature of 298 K were studied by means of a hybrid method that combines classical molecular dynamics and density functional theory. We found that when the coverage of CO is around half monolayer, i.e. 50%, there is no obvious peak of the oxygen density profile appearing in the first water layer. This result reveals that, in this case, the external force applied to water molecules from the CO/Pt(111) surface almost vanishes as a result of the competitive adsorption between CO and water molecules on the Pt(111) surface. This coverage is also the critical point of the wetting/non-wetting conditions for the CO/Pt(111) surface. Averaged work function and adsorption energy from current simulations are consistent with those of previous studies, which show that thermal average is required for direct comparisons between theoretical predictions and experimental measurements. Meanwhile, the statistical behaviors of work function and adsorption energy at room temperature have also been calculated. The standard errors of the calculated work function for the water-CO/Pt(111) interfaces are around 0.6 eV at all CO coverages, while the standard error decreases from 1.29 to 0.05 eV as the CO coverage increases from 4% to 100% for the calculated adsorption energy. Moreover, the critical points for these electronic properties are the same as those for the wetting/non-wetting conditions. These findings provide a better understanding about the interfacial structure under specific adsorption conditions, which can have important applications on the structure of electric double layers and therefore offer a useful perspective for the design of the electrochemical catalysts.

Effects of surface displayed targeting ligand GE11 on liposome distribution and extravasation in tumor.

PubMed

Tang, Hailing; Chen, Xiaojing; Rui, Mengjie; Sun, Wenqiang; Chen, Jian; Peng, Jinliang; Xu, Yuhong

2014-10-06

Targeting ligands displayed on liposome surface had been used to mediate specific interactions and drug delivery to target cells. However, they also affect liposome distribution in vivo, as well as the tissue extravasation processes after IV injection. In this study, we incorporated an EGFR targeting peptide GE11 on liposome surfaces in addition to PEG at different densities and evaluated their targeting properties and antitumor effects. We found that the densities of surface ligand and PEG were critical to target cell binding in vitro as well as pharmacokinetic profiles in vivo. The inclusion of GE11-PEG-DSPE and PEG-DSPE at 2% and 4% mol ratios in the liposome formulation mediated a rapid accumulation of liposomes within 1 h after IV injection in the tumor tissues surrounding neovascular structures. This is in addition to the EPR effect that was most prominently described for surface PEG modified liposomes. Therefore, despite the fact that the distribution of liposomes into interior tumor tissues was still limited by diffusion, GE11 targeted doxorubicin loaded liposomes showed significantly better antitumor activity in tumor bearing mice as a result of the fast active-targeting efficiency. We anticipate these understandings can benefit further optimization of targeted drug delivery systems for improving efficacy in vivo.

Periodic density functional theory study of ethylene hydrogenation over Co3O4 (1 1 1) surface: The critical role of oxygen vacancies

NASA Astrophysics Data System (ADS)

Lu, Jinhui; Song, JiaJia; Niu, Hongling; Pan, Lun; Zhang, Xiangwen; Wang, Li; Zou, Ji-Jun

2016-05-01

Recently, metal oxides are attracting increasing interests as hydrogenation catalyst. Herein we studied the hydrogenation of ethylene on perfect and oxygen defective Co3O4 (1 1 1) using periodic density functional theory. The energetics and pathways of ethylene hydrogenation to ethane were determined. We have demonstrated that (i) H2 dissociation on Co3O4 is a complicated two-step process through a heterolytic cleavage, followed by the migration of H atom and finally yields the homolytic product on both perfect and oxygen defective Co3O4 (1 1 1) surfaces easily. (ii) After introducing the surface oxygen vacancy, the stepwise hydrogenation of ethylene by atomic hydrogen is much easier than that on perfect surface due to the weaker bond strength of OH group. The strength of Osbnd H bond is a crucial factor for the hydrogenation reaction which involves the breakage of Osbnd H bond. The formation of oxygen vacancy increases the electronic charges at the adjacent surface O, which reduces its capability of further gaining electrons from adsorbed atomic hydrogen and then weakens the strength of Osbnd H bond. These results emphasize the importance of the oxygen vacancies for hydrogenation on metal oxides.

In situ fabrication of green reduced graphene-based biocompatible anode for efficient energy recycle.

PubMed

Cheng, Ying; Mallavarapu, Megharaj; Naidu, Ravi; Chen, Zuliang

2018-02-01

Improving the anode configuration to enhance biocompatibility and accelerate electron shuttling is critical for efficient energy recovery in microbial fuel cells (MFCs). In this paper, green reduced graphene nanocomposite was successfully coated using layer-by-layer assembly technique onto carbon brush anode. The modified anode achieved a 3.2-fold higher power density of 33.7 W m -3 at a current density of 69.4 A m -3 with a 75% shorter start period. As revealed in the characterization, the green synthesized nanocomposite film affords larger surface roughness for microbial colonization. Besides, gold nanoparticles, which anchored on graphene sheets, promise the relatively high electroactive sites and facilitate electron transfer from electricigens to the anode. The reduction-oxidation peaks in cyclic voltammograms indicated the mechanism of surface cytochromes facilitated current generation while the electrochemical impedance spectroscopy confirmed the enhanced electron transfer from surface cytochrome to electrode. The green synthesis process has the potential to generate a high performing anode in further applications of MFCs. Copyright © 2017 Elsevier Ltd. All rights reserved.

The impact of nano-coating on surface charge accumulation of epoxy resin insulator: characteristic and mechanism

NASA Astrophysics Data System (ADS)

Qi, Bo; Gao, Chunjia; Lv, Yuzhen; Li, Chengrong; Tu, Youping; Xiong, Jun

2018-06-01

The flashover phenomenon of the insulator is the main cause for insulating failure of GIS/GIL, and one of the most critical impacting factors is the accumulation of surface charge. The common methods to restrain the surface charge accumulation are reviewed in this paper. Through the reasonable comparison and analysis of these methods, nano-coatings for the insulator were selected as a way to restrain the surface charge accumulation. Based on this, six nano-coated epoxy resin samples with different concentrations of P25-TiO2 nanoparticles were produced. A high precision 3D surface charge measurement system was developed in this paper with a spatial resolution of 4.0 mm2 and a charge resolution of 0.01 µC (m2 · mV)‑1. The experimental results for the epoxy resin sample showed that with the concentration of nanoparticles of the coating material increasing, the surface charge density tended to first decrease and then increase. In the sample coated with 0.5% concentration of nanoparticles, the suppression effect is the optimum, leading to a 63.8% reduction of charge density under DC voltage. The application test for actual nano-coated GIS/GIL basin insulator indicated that the maximum suppression degree for the charge density under DC voltage could reach 48.3%, while it could reach 22.2% for switching impulse voltage and 12.5% for AC context. The control mechanism of nano-coatings on charge accumulation was proposed based on the analysis for surface morphology features and traps characteristics; the shallow traps dominate in the migration of charges while the deep traps operate on the charge accumulation. With the concentration of nanoparticles in nano-coating material mounting up, the density of shallow traps continuously increases, while for deep traps, it first decreases and then increases. For the sample with 0.5% concentration of nanoparticles coated, the competition between shallow traps and deep traps comes to the most balanced state, producing the most significant suppression impact on surface charge accumulation.

A Modeling and Experimental Investigation of the Effects of Antigen Density, Binding Affinity, and Antigen Expression Ratio on Bispecific Antibody Binding to Cell Surface Targets.

PubMed

Rhoden, John J; Dyas, Gregory L; Wroblewski, Victor J

2016-05-20

Despite the increasing number of multivalent antibodies, bispecific antibodies, fusion proteins, and targeted nanoparticles that have been generated and studied, the mechanism of multivalent binding to cell surface targets is not well understood. Here, we describe a conceptual and mathematical model of multivalent antibody binding to cell surface antigens. Our model predicts that properties beyond 1:1 antibody:antigen affinity to target antigens have a strong influence on multivalent binding. Predicted crucial properties include the structure and flexibility of the antibody construct, the target antigen(s) and binding epitope(s), and the density of antigens on the cell surface. For bispecific antibodies, the ratio of the expression levels of the two target antigens is predicted to be critical to target binding, particularly for the lower expressed of the antigens. Using bispecific antibodies of different valencies to cell surface antigens including MET and EGF receptor, we have experimentally validated our modeling approach and its predictions and observed several nonintuitive effects of avidity related to antigen density, target ratio, and antibody affinity. In some biological circumstances, the effect we have predicted and measured varied from the monovalent binding interaction by several orders of magnitude. Moreover, our mathematical framework affords us a mechanistic interpretation of our observations and suggests strategies to achieve the desired antibody-antigen binding goals. These mechanistic insights have implications in antibody engineering and structure/activity relationship determination in a variety of biological contexts. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

The effects of annealing temperature on the in-field Jc and surface pinning in silicone oil doped MgB2 bulks and wires

NASA Astrophysics Data System (ADS)

Hossain, M. S. A.; Motaman, A.; Çiçek, Ö.; Ağıl, H.; Ertekin, E.; Gencer, A.; Wang, X. L.; Dou, S. X.

2012-12-01

The effects of sintering temperature on the lattice parameters, full width at half maximum (FWHM), strain, critical temperature (Tc), critical current density (Jc), irreversibility field (Hirr), upper critical field (Hc2), and resistivity (ρ) of 10 wt.% silicone oil doped MgB2 bulk and wire samples are investigated in state of the art by this article. The a-lattice parameter of the silicone oil doped samples which were sintered at different temperatures was drastically reduced from 3.0864 Å to 3.0745 Å, compared to the un-doped samples, which indicates the substitution of the carbon (C) into the boron sites. It was found that sintered samples at the low temperature of 600 °C shows more lattice distortion by more C-substitution and higher strain, lower Tc, higher impurity scattering, and enhancement of both magnetic Jc and Hc2, compared to those sintered samples at high temperatures. The flux pinning mechanism has been analyzed based on the extended normalized pinning force density fp = Fp/Fp,max scaled with b = B/Bmax. Results show that surface pinning is the dominant pinning mechanism for the doped sample sintered at the low temperature of 600 °C, while point pinning is dominant for the un-doped sample. The powder in tube (PIT) MgB2 wire was also fabricated by using of this liquid doping and found that both transport Jc and n-factor increased which proves this cheap and abundant silicone oil doping can be a good candidate for industrial application.

Microwave reflectometer ionization sensor

NASA Technical Reports Server (NTRS)

Seals, Joseph; Fordham, Jeffrey A.; Pauley, Robert G.; Simonutti, Mario D.

1993-01-01

The development of the Microwave Reflectometer Ionization Sensor (MRIS) Instrument for use on the Aeroassist Flight Experiment (AFE) spacecraft is described. The instrument contract was terminated, due to cancellation of the AFE program, subsequent to testing of an engineering development model. The MRIS, a four-frequency reflectometer, was designed for the detection and location of critical electron density levels in spacecraft reentry plasmas. The instrument would sample the relative magnitude and phase of reflected signals at discrete frequency steps across 4 GHz bandwidths centered at four frequencies: 20, 44, 95, and 140 GHz. The sampled data would be stored for later processing to calculate the distance from the spacecraft surface to the critical electron densities versus time. Four stepped PM CW transmitter receivers were located behind the thermal protection system of the spacecraft with horn antennas radiating and receiving through an insulating tile. Techniques were developed to deal with interference, including multiple reflections and resonance effects, resulting from the antenna configuration and operating environment.

Analytical and numerical studies of positive ion beam expansion for surface treatment applications

NASA Astrophysics Data System (ADS)

Lounes-Mahloul, Soumya; Bendib, Abderrezeg; Oudini, Noureddine

2018-01-01

The aim of this work is to study the expansion in vacuum, of a positive ion beam with the use of one dimensional (1D) analytic model and a two dimensional Particle-In-Cell (2D-PIC) simulation. The ion beam is extracted and accelerated from preformed plasma by an extraction system composed of two polarized parallel perforated grids. The results obtained with both approaches reveal the presence of a potential barrier downstream the extraction system which tends to reflect the ion flux. The dependence of the critical distance for which all extracted ions are reflected, is investigated as a function of the extracted ion beam current density. In particular, it is shown that the 1D model recovers the well-known Child-Langmuir law and that the 2D simulation presents a significant discrepancy with respect to the 1D prediction. Indeed, for a given value of current density, the transverse effects lead to a greater critical distance.

Critical Slowing Down in Time-to-Extinction: An Example of Critical Phenomena in Ecology

NASA Technical Reports Server (NTRS)

Gandhi, Amar; Levin, Simon; Orszag, Steven

1998-01-01

We study a model for two competing species that explicitly accounts for effects due to discreteness, stochasticity and spatial extension of populations. The two species are equally preferred by the environment and do better when surrounded by others of the same species. We observe that the final outcome depends on the initial densities (uniformly distributed in space) of the two species. The observed phase transition is a continuous one and key macroscopic quantities like the correlation length of clusters and the time-to-extinction diverge at a critical point. Away from the critical point, the dynamics can be described by a mean-field approximation. Close to the critical point, however, there is a crossover to power-law behavior because of the gross mismatch between the largest and smallest scales in the system. We have developed a theory based on surface effects, which is in good agreement with the observed behavior. The course-grained reaction-diffusion system obtained from the mean-field dynamics agrees well with the particle system.

Heuristic-driven graph wavelet modeling of complex terrain

NASA Astrophysics Data System (ADS)

Cioacǎ, Teodor; Dumitrescu, Bogdan; Stupariu, Mihai-Sorin; Pǎtru-Stupariu, Ileana; Nǎpǎrus, Magdalena; Stoicescu, Ioana; Peringer, Alexander; Buttler, Alexandre; Golay, François

2015-03-01

We present a novel method for building a multi-resolution representation of large digital surface models. The surface points coincide with the nodes of a planar graph which can be processed using a critically sampled, invertible lifting scheme. To drive the lazy wavelet node partitioning, we employ an attribute aware cost function based on the generalized quadric error metric. The resulting algorithm can be applied to multivariate data by storing additional attributes at the graph's nodes. We discuss how the cost computation mechanism can be coupled with the lifting scheme and examine the results by evaluating the root mean square error. The algorithm is experimentally tested using two multivariate LiDAR sets representing terrain surface and vegetation structure with different sampling densities.

Mars Atmospheric Characterization Using Advanced 2-Micron Orbiting Lidar

NASA Technical Reports Server (NTRS)

Singh, U.; Engelund, W.; Refaat, T.; Kavaya, M.; Yu, J.; Petros, M.

2015-01-01

Mars atmospheric characterization is critical for exploring the planet. Future Mars missions require landing massive payloads to the surface with high accuracy. The accuracy of entry, descent and landing (EDL) of a payload is a major technical challenge for future Mars missions. Mars EDL depends on atmospheric conditions such as density, wind and dust as well as surface topography. A Mars orbiting 2-micron lidar system is presented in this paper. This advanced lidar is capable of measuring atmospheric pressure and temperature profiles using the most abundant atmospheric carbon dioxide (CO2) on Mars. In addition Martian winds and surface altimetry can be mapped, independent of background radiation or geographical location. This orbiting lidar is a valuable tool for developing EDL models for future Mars missions.

Water structure and aqueous uranyl(VI) adsorption equilibria onto external surfaces of beidellite, montmorillonite, and pyrophyllite: results from molecular simulations.

PubMed

Greathouse, Jeffery A; Cygan, Randall T

2006-06-15

Molecular dynamics simulations were performed to provide a systematic study of aqueous uranyl adsorption onto the external surface of 2:1 dioctahedral clays. Our understanding of this key process is critical in predicting the fate of radioactive contaminants in natural groundwaters. These simulations provide atomistic detail to help explain experimental trends in uranyl adsorption onto natural media containing smectite clays. Aqueous uranyl concentrations ranged from 0.027 to 0.162 M. Sodium ions and carbonate ions (0.027-0.243 M) were also present in the aqueous regions to more faithfully model a stream of uranyl-containing groundwater contacting a mineral system comprised of Na-smectite. No adsorption occurred near the pyrophyllite surface, and there was little difference in uranyl adsorption onto the beidellite and montmorillonite, despite the difference in location of clay layer charge between the two. At low uranyl concentration, the pentaaquouranyl complex dominates in solution and readily adsorbs to the clay basal plane. At higher uranyl (and carbonate) concentrations, the mono(carbonato) complex forms in solution, and uranyl adsorption decreases. Sodium adsorption onto beidellite occurred both as inner- and outer-sphere surface complexes, again with little effect on uranyl adsorption. Uranyl surface complexes consisted primarily of the pentaaquo cation (85%) and to a lesser extent the mono(carbonato) species (15%). Speciation diagrams of the aqueous region indicate that the mono(carbonato)uranyl complex is abundant at high ionic strength. Oligomeric uranyl complexes are observed at high ionic strength, particularly near the pyrophyllite and montmorillonite surfaces. Atomic density profiles of water oxygen and hydrogen atoms are nearly identical near the beidellite and montmorillonite surfaces. Water structure therefore appears to be governed by the presence of adsorbed ions and not by the location of layer charge associated with the substrate. The water oxygen density near the pyrophyllite surface is similar to the other cases, but the hydrogen density profile indicates reduced hydrogen bonding between adsorbed water molecules and the surface.

Geographic Hotspots of Critical National Infrastructure.

PubMed

Thacker, Scott; Barr, Stuart; Pant, Raghav; Hall, Jim W; Alderson, David

2017-12-01

Failure of critical national infrastructures can result in major disruptions to society and the economy. Understanding the criticality of individual assets and the geographic areas in which they are located is essential for targeting investments to reduce risks and enhance system resilience. Within this study we provide new insights into the criticality of real-life critical infrastructure networks by integrating high-resolution data on infrastructure location, connectivity, interdependence, and usage. We propose a metric of infrastructure criticality in terms of the number of users who may be directly or indirectly disrupted by the failure of physically interdependent infrastructures. Kernel density estimation is used to integrate spatially discrete criticality values associated with individual infrastructure assets, producing a continuous surface from which statistically significant infrastructure criticality hotspots are identified. We develop a comprehensive and unique national-scale demonstration for England and Wales that utilizes previously unavailable data from the energy, transport, water, waste, and digital communications sectors. The testing of 200,000 failure scenarios identifies that hotspots are typically located around the periphery of urban areas where there are large facilities upon which many users depend or where several critical infrastructures are concentrated in one location. © 2017 Society for Risk Analysis.

Ab initio study of friction of graphene flake on graphene/graphite or SiC surface

NASA Astrophysics Data System (ADS)

Gulseren, Oguz; Tayran, Ceren; Sayin, Ceren Sibel

Recently, the rich dynamics of graphene flake on graphite or SiC surfaces are revealed from atomic force microcopy experiments. The studies toward to the understanding of microscopic origin of friction are getting a lot of attention. Despite the several studies of these systems using molecular dynamics methods, density functional theory based investigations are limited because of the huge system sizes. In this study, we investigated the frictional force on graphene flake on graphite or SiC surfaces from pseudopotential planewave calculations based on density functional theory. In both cases, graphene flake (24 C) on graphite or SiC surface, bilayer flake is introduced by freezing the top layer as well as the bottom layer of the surface slab. After fixing the load with these frozen layers, we checked the relative motion of the flake over the surface. A minimum energy is reached when the flake is moved on graphene to attain AB stacking. We also conclude that edge reconstruction because of the finite size of the flake is very critical for frictional properties of the flake; therefore the saturation of dangling bonds with hydrogen is also addressed. Not only the symmetric configurations remaining parameter space is extensively studied. Supported by TUBITAK Project No: 114F162. This work is supported by TUBITAK Project No: 114F162.

Use of Nanostructures in Fabrication of Large Scale Electrochemical Film

NASA Astrophysics Data System (ADS)

Chen, Chien Chon; Chen, Shih Hsun; Shyu, Sheang Wen; Hsieh, Sheng Jen

Control of electrochemical parameters when preparing small-scale samples for academic research is not difficult. In mass production environments, however, maintenance of constant current density and temperature become a critical issue. This article describes the design of several molds for large work pieces. These molds were designed to maintain constant current density and to facilitate the occurrence of electrochemical reactions in designated areas. Large-area thin films with fine nanostructure were successfully prepared using the designed electrochemical molds and containers. In addition, current density and temperature could be controlled well. This electrochemical system has been verified in many experimental operations, including etching of Al surfaces; electro-polishing of Al, Ti and stainless steel; and fabrication of anodic alumina oxide (AAO), Ti-TiO2 interference membrane, TiO2 nanotubes, AAO-TiO2 nanotubes, Ni nanowires and porous tungsten

Exposing high-energy surfaces by rapid-anneal solid phase epitaxy

DOE PAGES

Wang, Y.; Song, Y.; Peng, R.; ...

2017-08-08

The functional design of nanoscale transition metal oxide heterostructures depends critically on the growth of atomically flat epitaxial thin films. Much of the time, improved functionality is expected for heterostructures and surfaces with orientations that do not have the lowest surface free energy. For example, crystal faces with a high surface free energy, such as rutile (001) planes, frequently exhibit higher catalytic activities but are correspondingly harder to synthesize due to energy-lowering faceting transitions. We propose a broadly applicable rapid-anneal solid phase epitaxial synthesis approach for the creation of atomically flat, high surface free energy oxide heterostructures. We also demonstratemore » its efficacy via the synthesis of atomically flat, epitaxial RuO 2(001) films with a superior oxygen evolution activity, quantified by their lower onset potential and higher current density, relative to that of more common RuO 2(110) films.« less

Surface Ligand Promotion of Carbon Dioxide Reduction through Stabilizing Chemisorbed Reactive Intermediates.

PubMed

Wang, Zhijiang; Wu, Lina; Sun, Kun; Chen, Ting; Jiang, Zhaohua; Cheng, Tao; Goddard, William A

2018-05-23

We have explored functionalizing metal catalysts with surface ligands as an approach to facilitate electrochemical carbon dioxide reduction reaction (CO 2 RR). To provide a molecular level understanding of the mechanism by which this enhancement occurs, we combine in situ spectroscopy analysis with an interpretation based on quantum mechanics (QM) calculations. We find that a surface ligand can play a critical role in stabilizing the chemisorbed CO 2 , which facilitates CO 2 activation and leads to a 0.3 V decrease in the overpotential for carbon monoxide (CO) formation. Moreover, the presence of the surface ligand leads to nearly exclusive CO production. At -0.6 V (versus reversible hydrogen electrode, RHE), CO is the only significant product with a faradic efficiency of 93% and a current density of 1.9 mA cm -2 . This improvement corresponds to 53-fold enhancement in turnover frequency compared with the Ag nanoparticles (NPs) without surface ligands.

Atomic scale study of surface orientations and energies of Ti 2O 3 crystals

DOE PAGES

Gu, Meng; Wang, Zhiguo; Wang, Chongmin; ...

2017-11-01

For nanostructured particles, the faceting planes and their terminating chemical species are two critical factors that govern their chemical behavior. In this paper, the surface atomistic structure and termination of Ti 2O 3 crystals were analyzed using atomic-scale aberration-corrected scanning transmission electron microscopy (STEM) combined with density functional theory (DFT) calculations. STEM imaging reveals that the Ti 2O 3 crystals are most often faceted along (001), (012), (-114), and (1–20) planes. The DFT calculation indicates that the (012) surface with TiO-termination has the lowest cleavage energy and correspondingly the lowest surface energy, indicating that (012) will be the most stablemore » and prevalent surfaces in Ti 2O 3 nanocrystals. Finally, these observations provide insights for exploring the interfacial process involving Ti 2O 3 nanoparticles.« less

Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches.

PubMed

Bal, Kristof M; Neyts, Erik C

2018-03-28

A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field.

Flow Observations with Tufts and Lampblack of the Stalling of Four Typical Airfoil Sections in the NACA Variable-density Tunnel

NASA Technical Reports Server (NTRS)

Abbott, Ira H; Sherman, Albert

1938-01-01

A preliminary investigation of the stalling processes of four typical airfoil sections was made over the critical range of the Reynolds Number. Motion pictures were taken of the movements of small silk tufts on the airfoil surface as the angle of attack increased through a range of angles including the stall. The boundary-layer flow also at certain angles of attack was indicated by the patterns formed by a suspension of lampblack in oil brushed onto the airfoil surface. These observations were analyzed together with corresponding force-test measurements to derive a picture of the stalling processes of airfoils.

Correlations between critical current density, j{sub c}, critical temperature, T{sub c}, and structural quality of Y{sub 1}B{sub 2}Cu{sub 3}O{sub 7-x} thin superconducting films

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

Chrzanowski, J.; Xing, W.B.; Atlan, D.

1994-12-31

Correlations between critical current density (j{sub c}) critical temperature (T{sub c}) and the density of edge dislocations and nonuniform strain have been observed in YBCO thin films deposited by pulsed laser ablation on (001) LaAlO{sub 3} single crystals. Distinct maxima in j{sub c} as a function of the linewidths of the (00{ell}) Bragg reflections and as a function of the mosaic spread have been found in the epitaxial films. These maxima in j{sub c} indicate that the magnetic flux lines, in films of structural quality approaching that of single crystals, are insufficiently pinned which results in a decreased critical currentmore » density. T{sub c} increased monotonically with improving crystalline quality and approached a value characteristic of a pure single crystal. A strong correlation between j{sub c} and the density of edge dislocations N{sub D} was found. At the maximum of the critical current density the density of edge dislocations was estimated to be N{sub D}{approximately}1-2 x 10{sup 9}/cm{sup 2}.« less

Correlations between critical current density, j(sub c), critical temperature, T(sub c),and structural quality of Y1B2Cu3O(7-x) thin superconducting films

NASA Technical Reports Server (NTRS)

Chrzanowski, J.; Xing, W. B.; Atlan, D.; Irwin, J. C.; Heinrich, B.; Cragg, R. A.; Zhou, H.; Angus, V.; Habib, F.; Fife, A. A.

1995-01-01

Correlations between critical current density (j(sub c)) critical temperature (T(sub c)) and the density of edge dislocations and nonuniform strain have been observed in YBCO thin films deposited by pulsed laser ablation on (001) LaAlO3 single crystals. Distinct maxima in j(sub c) as a function of the linewidths of the (00 l) Bragg reflections and as a function of the mosaic spread have been found in the epitaxial films. These maxima in j(sub c) indicate that the magnetic flux lines, in films of structural quality approachingthat of single crystals, are insufficiently pinned which results in a decreased critical current density. T(sub c) increased monotonically with improving crystalline quality and approached a value characteristic of a pure single crystal. A strong correlation between j(sub c) and the density of edge dislocations ND was found. At the maximum of the critical current density the density of edge dislocations was estimated to be N(sub D) approximately 1-2 x 10(exp 9)/sq cm.

Surface segregation effects of erbium in GaAs growth and their implications for optical devices containing ErAs nanostructures

NASA Astrophysics Data System (ADS)

Crook, Adam M.; Nair, Hari P.; Bank, Seth R.

2011-03-01

We report on the integration of semimetallic ErAs nanoparticles with high optical quality GaAs-based semiconductors, grown by molecular beam epitaxy. Secondary ion mass spectrometry and photoluminescence measurements provide evidence of surface segregation and incorporation of erbium into layers grown with the erbium cell hot, despite the closed erbium source shutter. We establish the existence of a critical areal density of the surface erbium layer, below which the formation of ErAs precipitates is suppressed. Based upon these findings, we demonstrate a method for overgrowing ErAs nanoparticles with III-V layers of high optical quality, using subsurface ErAs nanoparticles as a sink to deplete the surface erbium concentration. This approach provides a path toward realizing optical devices based on plasmonic effects in an epitaxially-compatible semimetal/semiconductor system.

Surface order in cold liquids: X-ray reflectivity studies of dielectric liquids and comparison to liquid metals

NASA Astrophysics Data System (ADS)

Chattopadhyay, Sudeshna; Uysal, Ahmet; Stripe, Benjamin; Ehrlich, Steven; Karapetrova, Evguenia A.; Dutta, Pulak

2010-05-01

Oscillatory surface-density profiles (layers) have previously been reported in several metallic liquids, one dielectric liquid, and in computer simulations of dielectric liquids. We have now seen surface layers in two other dielectric liquids, pentaphenyl trimethyl trisiloxane, and pentavinyl pentamethyl cyclopentasiloxane. These layers appear below T˜285K and T˜130K , respectively; both thresholds correspond to T/Tc˜0.2 where Tc is the liquid-gas critical temperature. All metallic and dielectric liquid surfaces previously studied are also consistent with the existence of this T/Tc threshold, first indicated by the simulations of Chacón [Phys. Rev. Lett. 87, 166101 (2001)]. The layer width parameters, determined using a distorted-crystal fitting model, follow common trends as functions of Tc for both metallic and dielectric liquids.

Double disordered YBCO coated conductors of industrial scale: high currents in high magnetic field

NASA Astrophysics Data System (ADS)

Abraimov, D.; Ballarino, A.; Barth, C.; Bottura, L.; Dietrich, R.; Francis, A.; Jaroszynski, J.; Majkic, G. S.; McCallister, J.; Polyanskii, A.; Rossi, L.; Rutt, A.; Santos, M.; Schlenga, K.; Selvamanickam, V.; Senatore, C.; Usoskin, A.; Viouchkov, Y. L.

2015-11-01

A significant increase of critical current in high magnetic field, up to 31 T, was recorded in long tapes manufactured by employing a double-disorder route. In a double-disordered high-temperature superconductor (HTS), a superimposing of intrinsic and extrinsic disorder takes place in a way that (i) the intrinsic disorder is caused by local stoichiometry deviations that lead to defects of crystallinity that serve as pining centers in the YBa2Cu3O x-δ matrix and (ii) the extrinsic disorder is introduced via embedded atoms or particles of foreign material (e.g. barium zirconate), which create a set of lattice defects. We analyzed possible technological reasons for this current gain. The properties of these tapes over a wider field-temperature range as well as field anisotropy were also studied. Record values of critical current as high as 309 A at 31 T, 500 A at 18 Tm and 1200 A at 5 T were found in 4 mm wide tape at 4.2 K and B perpendicular to tape surface. HTS layers were processed in medium-scale equipment that allows a maximum batch length of 250 m while 22 m long batches were provided for investigation. Abnormally high ratios (up to 10) of critical current density measured at 4.2 K, 19 T to critical current density measured at 77 K, self-field were observed in tapes with the highest in-field critical current. Anisotropy of the critical current as well as angular dependences of n and α values were investigated. The temperature dependence of critical current is presented for temperatures between 4.2 and 40 K. Prospects for the suppression of the dog-bone effect by Cu plating and upscale of processing chain to >500 m piece length are discussed.

Growth and Morphology of Supercritical Fluids, a Fluid Physics Experiment Conducted on Mir, Complete

NASA Technical Reports Server (NTRS)

Wilkinson, R. Allen

2001-01-01

The Growth and Morphology of Supercritical Fluids (GMSF) is an international experiment facilitated by the NASA Glenn Research Center and under the guidance of U.S. principal investor Professor Hegseth of the University of New Orleans and three French coinvestigators: Daniel Beysens, Yves Garrabos, and Carole Chabot. The GMSF experiments were concluded in early 1999 on the Russian space station Mir. The experiments spanned the three science themes of near-critical phase separation rates, interface dynamics in near-critical boiling, and measurement of the spectrum of density fluctuation length scales very close to the critical point. The fluids used were pure CO2 or SF6. Three of the five thermostats used could adjust the sample volume with the scheduled crew time. Such a volume adjustment enabled variable sample densities around the critical density as well as pressure steps (as distinct from the usual temperature steps) applied to the sample. The French-built ALICE II facility was used for these experiments. It allows tightly thermostated (left photograph) samples (right photograph) to be controlled and viewed/measured. Its diagnostics include interferometry, shadowgraph, high-speed pressure measurements, and microscopy. Data were logged on DAT tapes, and PCMCIA cards and were returned to Earth only after the mission was over. The ground-breaking near critical boiling experiment has yielded the most results with a paper published in Physical Review Letters (ref. 1). The boiling work also received press in Science Magazine (ref. 2). This work showed that, in very compressible near-critical two-phase pure fluids, a vapor bubble was induced to temporarily overheat during a rapid heating of the sample wall. The temperature rise in the vapor was 23-percent higher than the rise in the driving container wall. The effect is due to adiabatic compression of the vapor bubble by the rapid expansion of fluid near the boundary during heatup. Thermal diffusivity is low near the critical point, so getting heat out of the compressed bubble is observably slow. This gives the appearance of a backward heat flow, or heat flow from a cold surface to a warm fluid.

Critical behaviour and vapour-liquid coexistence of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids via Monte Carlo simulations.

PubMed

Rai, Neeraj; Maginn, Edward J

2012-01-01

Atomistic Monte Carlo simulations are used to compute vapour-liquid coexistence properties of a homologous series of [C(n)mim][NTf2] ionic liquids, with n = 1, 2, 4, 6. Estimates of the critical temperatures range from 1190 K to 1257 K, with longer cation alkyl chains serving to lower the critical temperature. Other quantities such as critical density, critical pressure, normal boiling point, and accentric factor are determined from the simulations. Vapour pressure curves and the temperature dependence of the enthalpy of vapourisation are computed and found to have a weak dependence on the length of the cation alkyl chain. The ions in the vapour phase are predominately in single ion pairs, although a significant number of ions are found in neutral clusters of larger sizes as temperature is increased. It is found that previous estimates of the critical point obtained from extrapolating experimental surface tension data agree reasonably well with the predictions obtained here, but group contribution methods and primitive models of ionic liquids do not capture many of the trends observed in the present study

Enhancing critical current density of cuprate superconductors

DOEpatents

Chaudhari, Praveen

2015-06-16

The present invention concerns the enhancement of critical current densities in cuprate superconductors. Such enhancement of critical current densities include using wave function symmetry and restricting movement of Abrikosov (A) vortices, Josephson (J) vortices, or Abrikosov-Josephson (A-J) vortices by using the half integer vortices associated with d-wave symmetry present in the grain boundary.

Surface determination through atomically resolved secondary-electron imaging

PubMed Central

Ciston, J.; Brown, H. G.; D'Alfonso, A. J.; Koirala, P.; Ophus, C.; Lin, Y.; Suzuki, Y.; Inada, H.; Zhu, Y.; Allen, L. J.; Marks, L. D.

2015-01-01

Unique determination of the atomic structure of technologically relevant surfaces is often limited by both a need for homogeneous crystals and ambiguity of registration between the surface and bulk. Atomically resolved secondary-electron imaging is extremely sensitive to this registration and is compatible with faceted nanomaterials, but has not been previously utilized for surface structure determination. Here we report a detailed experimental atomic-resolution secondary-electron microscopy analysis of the c(6 × 2) reconstruction on strontium titanate (001) coupled with careful simulation of secondary-electron images, density functional theory calculations and surface monolayer-sensitive aberration-corrected plan-view high-resolution transmission electron microscopy. Our work reveals several unexpected findings, including an amended registry of the surface on the bulk and strontium atoms with unusual seven-fold coordination within a typically high surface coverage of square pyramidal TiO5 units. Dielectric screening is found to play a critical role in attenuating secondary-electron generation processes from valence orbitals. PMID:26082275

Surface determination through atomically resolved secondary-electron imaging

DOE PAGES

Ciston, J.; Brown, H. G.; D’Alfonso, A. J.; ...

2015-06-17

We report that unique determination of the atomic structure of technologically relevant surfaces is often limited by both a need for homogeneous crystals and ambiguity of registration between the surface and bulk. Atomically resolved secondary-electron imaging is extremely sensitive to this registration and is compatible with faceted nanomaterials, but has not been previously utilized for surface structure determination. Here we show a detailed experimental atomic-resolution secondary-electron microscopy analysis of the c(6 x 2) reconstruction on strontium titanate (001) coupled with careful simulation of secondary-electron images, density functional theory calculations and surface monolayer-sensitive aberration-corrected plan-view high-resolution transmission electron microscopy. Our workmore » reveals several unexpected findings, including an amended registry of the surface on the bulk and strontium atoms with unusual seven-fold coordination within a typically high surface coverage of square pyramidal TiO 5 units. Lastly, dielectric screening is found to play a critical role in attenuating secondary-electron generation processes from valence orbitals.« less

On interfacial properties of tetrahydrofuran: Atomistic and coarse-grained models from molecular dynamics simulation

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

Garrido, J. M.; Algaba, J.; Blas, F. J., E-mail: felipe@uhu.es

2016-04-14

We have determined the interfacial properties of tetrahydrofuran (THF) from direct simulation of the vapor-liquid interface. The molecules are modeled using six different molecular models, three of them based on the united-atom approach and the other three based on a coarse-grained (CG) approach. In the first case, THF is modeled using the transferable parameters potential functions approach proposed by Chandrasekhar and Jorgensen [J. Chem. Phys. 77, 5073 (1982)] and a new parametrization of the TraPPE force fields for cyclic alkanes and ethers [S. J. Keasler et al., J. Phys. Chem. B 115, 11234 (2012)]. In both cases, dispersive and coulombicmore » intermolecular interactions are explicitly taken into account. In the second case, THF is modeled as a single sphere, a diatomic molecule, and a ring formed from three Mie monomers according to the SAFT-γ Mie top-down approach [V. Papaioannou et al., J. Chem. Phys. 140, 054107 (2014)]. Simulations were performed in the molecular dynamics canonical ensemble and the vapor-liquid surface tension is evaluated from the normal and tangential components of the pressure tensor along the simulation box. In addition to the surface tension, we have also obtained density profiles, coexistence densities, critical temperature, density, and pressure, and interfacial thickness as functions of temperature, paying special attention to the comparison between the estimations obtained from different models and literature experimental data. The simulation results obtained from the three CG models as described by the SAFT-γ Mie approach are able to predict accurately the vapor-liquid phase envelope of THF, in excellent agreement with estimations obtained from TraPPE model and experimental data in the whole range of coexistence. However, Chandrasekhar and Jorgensen model presents significant deviations from experimental results. We also compare the predictions for surface tension as obtained from simulation results for all the models with experimental data. The three CG models predict reasonably well (but only qualitatively) the surface tension of THF, as a function of temperature, from the triple point to the critical temperature. On the other hand, only the TraPPE united-atoms models are able to predict accurately the experimental surface tension of the system in the whole temperature range.« less

On biofouling of microplastic particles of different shapes - some mathematics

NASA Astrophysics Data System (ADS)

Bagaeva, Margarita; Chubarenko, Irina

2016-04-01

Transport of microplastic particles in marine environment is difficult to quantify because their physical properties may vary with time. We made an attempt to analyse the behaviour of slightly buoyant particles (e.g., polyethylene, polypropylene), most critical process for which is their fouling: it leads to an increase in the mean particle density and its sinking. Fouling covers the surface of a relatively light particle by a denser growing film; thus, the rate of increase in the total mass is directly proportional to the surface area, and the faster the fouling process is - the sooner the mean particle density reaches the water density; the particle begins sinking, leaves the surface layer with stronger currents and can no longer be transported too far. A simplified model of biofouling in marine environment of a slightly buoyant microplastics (ρp < ρw) is applied to particles of different shapes - spheres, films and fibres. It is supposed that the thickness of biofouling cover (of density ρb > ρw) increases with time at constant rate, and thus it can be considered as time. Geometrical considerations link surface area of particles of different shapes with time rate of increase in its mass due to fouling up to the water density. Geometrical calculations demonstrate that, for the same mass of plastic material, many small particles have larger surface area than one single large particle, and this way - macroplastics will stay longer at the water surface than microplastics. For spherical particles, the time of fouling up to the water density is directly proportional to the radius of a sphere: τsink ˜ R0/ 3n, where n = R0/ R, i.e., if the particle of radius R0reaches the water density in time τsink, the particle of radius R0/3 requires only τsink/9. Spherical shape has (for the given mass m0) the minimum surface area among all other possible shapes in 3-d space. The calculations performed for the same mass m0 have shown that the ratio of surface areas of a sphere (diameter 5 mm), a film (thickness of 15-30 microns) and a fibre (diameter of 30-100 microns) is about 1 / (50- 100) / (30-110) and thus, fibres appear to have the largest surface area for the given mass, immediately followed by films. Correspondingly, time of fouling up to sinking is of the same order of magnitude for films and fibres, and almost two orders of magnitude larger for spherical particles (of the same mass m0). More generally speaking, time of fouling is linearly dependent on the characteristic length scale of a particle (radius of sphere, thickness of the film, or radius of a fibre): the smaller the scale of the particle is - the faster it is fouled up to the water density. The conclusions are important for proper physical setting of the problem of microplastics transport in marine environment and for developing of physically-based parameterisations of microplastics particles properties in numerical models. The investigations are supported by Russian Science Foundation, project number 15-17-10020.

Superconductivity and charge density wave in ZrTe 3–xSe x

DOE PAGES

Zhu, Xiangde; Ning, Wei; Li, Lijun; ...

2016-06-02

Charge density wave (CDW), the periodic modulation of the electronic charge density, will open a gap on the Fermi surface that commonly leads to decreased or vanishing conductivity. On the other hand superconductivity, a commonly believed competing order, features a Fermi surface gap that results in infinite conductivity. Here we report that superconductivity emerges upon Se doping in CDW conductor ZrTe 3 when the long range CDW order is gradually suppressed. Superconducting critical temperature T c(x) in ZrTe 3–xSe x (0 ≤ x ≤ 0.1) increases up to 4 K plateau for 0.04 ≤ x ≤ 0.07. Further increase inmore » Se content results in diminishing T c and filametary superconductivity. The CDW modes from Raman spectra are observed in x = 0.04 and 0.1 crystals, where signature of ZrTe 3 CDW order in resistivity vanishes. As a result, the electronic-scattering for high T c crystals is dominated by local CDW fluctuations at high temperatures, the resistivity is linear up to highest measured T = 300 K and contributes to substantial in-plane anisotropy.« less

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.

Mechanical annealing under low-amplitude cyclic loading in micropillars

NASA Astrophysics Data System (ADS)

Cui, Yi-nan; Liu, Zhan-li; Wang, Zhang-jie; Zhuang, Zhuo

2016-04-01

Mechanical annealing has been demonstrated to be an effective method for decreasing the overall dislocation density in submicron single crystal. However, simultaneously significant shape change always unexpectedly happens under extremely high monotonic loading to drive the pre-existing dislocations out of the free surfaces. In the present work, through in situ TEM experiments it is found that cyclic loading with low stress amplitude can drive most dislocations out of the submicron sample with virtually little change of the shape. The underlying dislocation mechanism is revealed by carrying out discrete dislocation dynamic (DDD) simulations. The simulation results indicate that the dislocation density decreases within cycles, while the accumulated plastic strain is small. By comparing the evolution of dislocation junction under monotonic, cyclic and relaxation deformation, the cumulative irreversible slip is found to be the key factor of promoting junction destruction and dislocation annihilation at free surface under low-amplitude cyclic loading condition. By introducing this mechanics into dislocation density evolution equations, the critical conditions for mechanical annealing under cyclic and monotonic loadings are discussed. Low-amplitude cyclic loading which strengthens the single crystal without seriously disturbing the structure has the potential applications in the manufacture of defect-free nano-devices.

Progress on the Surface Nanobubble Story: What is in the bubble? Why does it exist?

PubMed

Peng, Hong; Birkett, Greg R; Nguyen, Anh V

2015-08-01

Interfaces between aqueous solutions and hydrophobic solid surfaces are important in various areas of science and technology. Many researchers have found that forces between hydrophobic surfaces in aqueous solution are significantly different from the classical DLVO theory. Long-range attractive forces (non-DLVO forces) are thought to be affected by nanoscopic gaseous domains at the interfaces. This is a review of the latest research on nanobubbles at hydrophobic surfaces from experimental and simulation studies. The review focusses on non-intrusive optical view of surface nanobubbles and gas enrichment on solid surfaces by imaging and force mapping. By use of these recent experimental data in conjunction with molecular simulation work, all major theories on surface nanobubble formation and stability are critically reviewed. Even though the current body of research cannot comprehensively explain all properties of surface nanobubbles observed, the fundamental understanding has been significantly improved. Line tension has been shown to be incapable of explaining the contact angle of nanobubbles. Dense gas layer theory provides a new explanation on both large contact angle and long-time stability. The high density of gas in these domains may significantly affect the gas-water interface which is in line with some observation made on bulk nanobubbles. Along this line of inquiry, experimental and simulation effort should be focussed on measuring the density within surface nanobubbles and the properties of the gas water interface which may be the key to explaining the stability of these nanobubbles. Copyright © 2014 Elsevier B.V. All rights reserved.

Evaluation of the concrete shield compositions from the 2010 criticality accident alarm system benchmark experiments at the CEA Valduc SILENE facility

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

Miller, Thomas Martin; Celik, Cihangir; Dunn, Michael E

In October 2010, a series of benchmark experiments were conducted at the French Commissariat a l'Energie Atomique et aux Energies Alternatives (CEA) Valduc SILENE facility. These experiments were a joint effort between the United States Department of Energy Nuclear Criticality Safety Program and the CEA. The purpose of these experiments was to create three benchmarks for the verification and validation of radiation transport codes and evaluated nuclear data used in the analysis of criticality accident alarm systems. This series of experiments consisted of three single-pulsed experiments with the SILENE reactor. For the first experiment, the reactor was bare (unshielded), whereasmore » in the second and third experiments, it was shielded by lead and polyethylene, respectively. The polyethylene shield of the third experiment had a cadmium liner on its internal and external surfaces, which vertically was located near the fuel region of SILENE. During each experiment, several neutron activation foils and thermoluminescent dosimeters (TLDs) were placed around the reactor. Nearly half of the foils and TLDs had additional high-density magnetite concrete, high-density barite concrete, standard concrete, and/or BoroBond shields. CEA Saclay provided all the concrete, and the US Y-12 National Security Complex provided the BoroBond. Measurement data from the experiments were published at the 2011 International Conference on Nuclear Criticality (ICNC 2011) and the 2013 Nuclear Criticality Safety Division (NCSD 2013) topical meeting. Preliminary computational results for the first experiment were presented in the ICNC 2011 paper, which showed poor agreement between the computational results and the measured values of the foils shielded by concrete. Recently the hydrogen content, boron content, and density of these concrete shields were further investigated within the constraints of the previously available data. New computational results for the first experiment are now available that show much better agreement with the measured values.« less

Overcharging below the nanoscale: Multivalent cations reverse the ion selectivity of a biological channel

NASA Astrophysics Data System (ADS)

García-Giménez, Elena; Alcaraz, Antonio; Aguilella, Vicente M.

2010-02-01

We report charge inversion within a nanoscopic biological protein ion channel in salts of multivalent ions. The presence of positive divalent and trivalent counterions reverses the cationic selectivity of the OmpF channel, a general diffusion porin located in the outer membrane of E. coli. We discuss the conditions under which charge inversion can be inferred from the change in sign of the measured quantity, the channel zero current potential. By comparing experimental results in protein channels whose charge has been modified after site-directed mutagenesis, the predictions of current theories of charge inversion are critically examined. It is emphasized that charge inversion does not necessarily increase with the bare surface charge density of the interface and that even this concept of surface charge density may become meaningless in some biological ion channels. Thus, any theory based on electrostatic correlations or chemical binding should explicitly take into account the particular structure of the charged interface.

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

Tang, Q; Xie, S

This report describes the Atmospheric Radiation Measurement (ARM) Best Estimate (ARMBE) 2-dimensional (2D) gridded surface data (ARMBE2DGRID) value-added product. Spatial variability is critically important to many scientific studies, especially those that involve processes of great spatial variations at high temporal frequency (e.g., precipitation, clouds, radiation, etc.). High-density ARM sites deployed at the Southern Great Plains (SGP) allow us to observe the spatial patterns of variables of scientific interests. The upcoming megasite at SGP with its enhanced spatial density will facilitate the studies at even finer scales. Currently, however, data are reported only at individual site locations at different time resolutionsmore » for different datastreams. It is difficult for users to locate all the data they need and requires extra effort to synchronize the data. To address these problems, the ARMBE2DGRID value-added product merges key surface measurements at the ARM SGP sites and interpolates the data to a regular 2D grid to facilitate the data application.« less

Preparation and Characterization of Cyclotrimethylenetrinitramine (RDX) with Reduced Sensitivity

PubMed Central

Wang, Yuqiao; Li, Xin; Chen, Shusen; Ma, Xiao; Yu, Ziyang; Jin, Shaohua; Li, Lijie; Chen, Yu

2017-01-01

The internal defects and shape of cyclotrimethylenetrinitramine (RDX) crystal are critical parameters for the preparation of reduced sensitivity RDX (RS-RDX). In the current study, RDX was re-crystallized and spheroidized to form the high-quality RDX that was further characterized by purity, apparent density, size distribution, specific surface area, impact sensitivity, and shock sensitivity. The effects of re-crystallization solvent on the growth morphology of RDX crystal were investigated by both theoretical simulation and experiment test, and consistent results were obtained. The high-quality RDX exhibited a high purity (≥99.90%), high apparent density (≥1.811 g/cm3), spherical shape, and relatively low impact sensitivity (6%). Its specific surface area was reduced more than 30%. Compared with conventional RDXs, the high-quality RDX reduced the shock sensitivities of PBXN-109 and PBXW-115 by more than 30%, indicating that it was a RS-RDX. The reduced sensitivity and good processability of the high-quality RDX would be significant in improving the performances of RDX-based PBXs. PMID:28825661

Growth characteristics of a plane crack subjected to three-dimensional loading. [based on stress intensity factors

NASA Technical Reports Server (NTRS)

Hartranft, R. J.; Sih, G. C.

1973-01-01

The closed form expressions for the stress intensity factors due to concentrated forces applied to the surfaces of a half plane crack in an infinite body are used to generate solutions for distributed loads in this geometry. The stress intensity factors for uniformly distributed loads applied over a rectangular portion of the crack surface are given in closed form. An example of non-uniformly distributed loads which can be treated numerically is also included. In particular, combinations of normal and shear stresses on the crack which simulate the case of loading at an angle to the crack front are considered. The resulting stress intensity factors are combined with the strain energy density fracture criterion for the purpose of predicting the most likely direction of crack propagation. The critical value of the energy density factor can then be used for determining the allowable load on a specimen with a crack front not perpendicular to the tensile axis.

Quasi-2D Liquid State at Metal-Organic Interface and Adsorption State Manipulation

NASA Astrophysics Data System (ADS)

Mehdizadeh, Masih

The metal/organic interface between noble metal close-packed (111) surfaces and organic semiconducting molecules is studied using Scanning tunneling microscopy and Photoelectron Spectroscopy, supplemented by first principles density functional theory calculations and Markov Chain Monte Carlo simulations. Copper Phthalocyanine molecules were shown to have dual adsorption states: a liquid state where intermolecular interactions were shown to be repulsive in nature and largely due to entropic effects, and a disordered immobilized state triggered by annealing or applying a tip-sample bias larger than a certain temperature or voltage respectively where intermolecular forces were demonstrated to be attractive. A methodology for altering molecular orientation on the aforementioned surfaces is also proposed through introduction of a Fullerene C60 buffer layer. Density functional theory calculations demonstrate orientation-switching of Copper Phthalocyanine molecules based on the amount of charges transferred to/from the substrate to the C60-CuPc layers; suggesting existence of critical substrate work functions that cause reorientation.

Structural design of graphene for use in electrochemical energy storage devices.

PubMed

Chen, Kunfeng; Song, Shuyan; Liu, Fei; Xue, Dongfeng

2015-10-07

There are many practical challenges in the use of graphene materials as active components in electrochemical energy storage devices. Graphene has a much lower capacitance than the theoretical capacitance of 550 F g(-1) for supercapacitors and 744 mA h g(-1) for lithium ion batteries. The macroporous nature of graphene limits its volumetric energy density and the low packing density of graphene-based electrodes prevents its use in commercial applications. Increases in the capacity, energy density and power density of electroactive graphene materials are strongly dependent on their microstructural properties, such as the number of defects, stacking, the use of composite materials, conductivity, the specific surface area and the packing density. The structural design of graphene electrode materials is achieved via six main strategies: the design of non-stacking and three-dimensional graphene; the synthesis of highly packed graphene; the production of graphene with a high specific surface area and high conductivity; the control of defects; functionalization with O, N, B or P heteroatoms; and the formation of graphene composites. These methodologies of structural design are needed for fast electrical charge storage/transfer and the transport of electrolyte ions (Li(+), H(+), K(+), Na(+)) in graphene electrodes. We critically review state-of-the-art progress in the optimization of the electrochemical performance of graphene-based electrode materials. The structure of graphene needs to be designed to develop novel electrochemical energy storage devices that approach the theoretical charge limit of graphene and to deliver electrical energy rapidly and efficiently.

A Study on the Corrosion Behavior of Carbon Steel Exposed to a H2S-Containing NH4Cl Medium

NASA Astrophysics Data System (ADS)

Wang, Hai-bo; Li, Yun; Cheng, Guang-xu; Wu, Wei; Zhang, Yao-heng

2018-05-01

NH4Cl corrosion failure often occurs in the overhead systems of hydrotreaters, and this failure is always accompanied by the appearance of H2S. A combination of electrochemical and surface spectroscopic (SEM/EDS, AFM, XRD) techniques was used to investigate the effect of different factors, including the surface roughness, temperature, dissolved oxygen, pH and H2S concentration, on the corrosion behavior of carbon steel in an NH4Cl environment with the presence of H2S. The effect of H2S concentrations (at the ppm level) on the corrosion behavior of carbon steel was systematically revealed. The experimental results clearly indicated that the corrosion rate reached a minimum value at 10 ppm H2S. The steel surface was covered by a uniform corrosion product film in a 10 ppm H2S environment, and the corrosion product film was tight and protective. The ammonia from NH4Cl helped maintaining the protectiveness of the corrosion films in this environment. Dissolved oxygen mainly accelerated the cathodic reaction. The cathodic limiting current density increased with increasing temperature, and the anodic branch polarization curves were similar at different temperatures. The anodic current density decreased as the pH decreased, and the cathodic current density increased as the pH decreased. The absolute surface roughness ( R a) of carbon steel increased from 132.856 nm at 72 h to 153.973 nm at 144 h, and the rougher surface resulted in a higher corrosion rate. The critical innovation in this research was that multiple influential factors were revealed in the NH4Cl environment with the presence of H2S.

A Study on the Corrosion Behavior of Carbon Steel Exposed to a H2S-Containing NH4Cl Medium

NASA Astrophysics Data System (ADS)

Wang, Hai-bo; Li, Yun; Cheng, Guang-xu; Wu, Wei; Zhang, Yao-heng

2018-04-01

NH4Cl corrosion failure often occurs in the overhead systems of hydrotreaters, and this failure is always accompanied by the appearance of H2S. A combination of electrochemical and surface spectroscopic (SEM/EDS, AFM, XRD) techniques was used to investigate the effect of different factors, including the surface roughness, temperature, dissolved oxygen, pH and H2S concentration, on the corrosion behavior of carbon steel in an NH4Cl environment with the presence of H2S. The effect of H2S concentrations (at the ppm level) on the corrosion behavior of carbon steel was systematically revealed. The experimental results clearly indicated that the corrosion rate reached a minimum value at 10 ppm H2S. The steel surface was covered by a uniform corrosion product film in a 10 ppm H2S environment, and the corrosion product film was tight and protective. The ammonia from NH4Cl helped maintaining the protectiveness of the corrosion films in this environment. Dissolved oxygen mainly accelerated the cathodic reaction. The cathodic limiting current density increased with increasing temperature, and the anodic branch polarization curves were similar at different temperatures. The anodic current density decreased as the pH decreased, and the cathodic current density increased as the pH decreased. The absolute surface roughness (R a) of carbon steel increased from 132.856 nm at 72 h to 153.973 nm at 144 h, and the rougher surface resulted in a higher corrosion rate. The critical innovation in this research was that multiple influential factors were revealed in the NH4Cl environment with the presence of H2S.

Plasma profile evolution during disruption mitigation via massive gas injection on MAST

NASA Astrophysics Data System (ADS)

Thornton, A. J.; Gibson, K. J.; Chapman, I. T.; Harrison, J. R.; Kirk, A.; Lisgo, S. W.; Lehnen, M.; Martin, R.; Scannell, R.; Cullen, A.; the MAST Team

2012-06-01

Massive gas injection (MGI) is one means of ameliorating disruptions in future devices such as ITER, where the stored energy in the plasma is an order of magnitude larger than in present-day devices. The penetration of the injected impurities during MGI in MAST is diagnosed using a combination of high-speed (20 kHz) visible imaging and high spatial (1 cm) and temporal (0.1 ms) resolution Thomson scattering (TS) measurements of the plasma temperature and density. It is seen that the rational surfaces, in particular q = 2, are the critical surfaces for disruption mitigation. The TS data shows the build-up of density on rational surfaces in the edge cooling period of the mitigation, leading to the collapse of the plasma in a thermal quench. The TS data are confirmed by the visible imaging, which shows filamentary structures present at the start of the thermal quench. The filamentary structures have a topology which matches that of a q = 2 field line in MAST, suggesting that they are located on the q = 2 surface. Linearized magnetohydrodynamic stability analysis using the TS profiles suggests that the large density build-up on the rational surfaces drives modes within the plasma which lead to the thermal quench. The presence of such modes is seen experimentally in the form of magnetic fluctuations on Mirnov coils and the growth of an n = 1 toroidal mode in the period prior to the thermal quench. These results support the observations of other machines that the 2/1 mode is the likely trigger for the thermal quench in a mitigated disruption and suggests that the mitigation process in spherical tokamaks is similar to that in conventional aspect ratio devices.

Sedimentary Facies Mapping Based on Tidal Channel Network and Topographic Features

NASA Astrophysics Data System (ADS)

Ryu, J. H.; Lee, Y. K.; Kim, K.; Kim, B.

2015-12-01

Tidal flats on the west coast of Korea suffer intensive changes in their surface sedimentary facies as a result of the influence of natural and artificial changes. Spatial relationships between surface sedimentary facies distribution and benthic environments were estimated for the open-type Ganghwa tidal flat and semi closed-type Hwangdo tidal flat, Korea. In this study, we standardized the surface sedimentary facies and tidal channel index of the channel density, distance, thickness and order. To extract tidal channel information, we used remotely sensed data, such as those from the Korea Multi-Purpose Satellite (KOMPSAT)-2, KOMPSAT-3, and aerial photographs. Surface sedimentary facies maps were generated based on field data using an interpolation method.The tidal channels in each sediment facies had relatively constant meandering patterns, but the density and complexity were distinguishable. The second fractal dimension was 1.7-1.8 in the mud flat, about 1.4 in the mixed flat, and about 1.3 in the sand flat. The channel density was 0.03-0.06 m/m2 in the mud flat and less than 0.02 m/m2 in the mixed and sand flat areas of the two test areas. Low values of the tidal channel index, which indicated a simple pattern of tidal channel distribution, were identified at areas having low elevation and coarse-grained sediments. By contrast, high values of the tidal channel index, which indicated a dendritic pattern of tidal channel distribution, were identified at areas having high elevation and fine-grained sediments. Surface sediment classification based on remotely sensed data must circumspectly consider an effective critical grain size, water content, local topography, and intertidal structures.

Influence of grid resolution in fluid-model simulation of nanosecond dielectric barrier discharge plasma actuator

NASA Astrophysics Data System (ADS)

Hua, Weizhuo; Fukagata, Koji

2018-04-01

Two-dimensional numerical simulation of a surface dielectric barrier discharge (SDBD) plasma actuator, driven by a nanosecond voltage pulse, is conducted. A special focus is laid upon the influence of grid resolution on the computational result. It is found that the computational result is not very sensitive to the streamwise grid spacing, whereas the wall-normal grid spacing has a critical influence. In particular, the computed propagation velocity changes discontinuously around the wall-normal grid spacing about 2 μm due to a qualitative change of discharge structure. The present result suggests that a computational grid finer than that was used in most of previous studies is required to correctly capture the structure and dynamics of streamer: when a positive nanosecond voltage pulse is applied to the upper electrode, a streamer forms in the vicinity of upper electrode and propagates along the dielectric surface with a maximum propagation velocity of 2 × 108 cm/s, and a gap with low electron and ion density (i.e., plasma sheath) exists between the streamer and dielectric surface. Difference between the results obtained using the finer and the coarser grid is discussed in detail in terms of the electron transport at a position near the surface. When the finer grid is used, the low electron density near the surface is caused by the absence of ionization avalanche: in that region, the electrons generated by ionization is compensated by drift-diffusion flux. In contrast, when the coarser grid is used, underestimated drift-diffusion flux cannot compensate the electrons generated by ionization, and it leads to an incorrect increase of electron density.

Cyclic evolution of the electron temperature and density in dusty low-pressure radio frequency plasmas with pulsed injection of hexamethyldisiloxane

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

Garofano, V.; Stafford, L., E-mail: luc.stafford@umontreal.ca, E-mail: kremena.makasheva@laplace.univ-tlse.fr; Despax, B.

2015-11-02

Optical emission spectroscopy was used to analyze the very-low-frequency cyclic evolution of the electron energy and density caused by repetitive formation and loss of dust nanoparticles in argon plasmas with pulsed injection of hexamethyldisiloxane (HMDSO, [CH{sub 3}]{sub 6}Si{sub 2}O). After elaborating a Boltzmann diagram for Ar high-lying levels and a collisional-radiative model for Ar 2p (Paschen notation) states, temperatures characterizing the low- and high-energy parts of the electron population were calculated. Relative electron densities were also estimated from relative line emission intensities. Both temperatures increase when the dust occupation increases, and then decrease when dust is lost. The opposite trendmore » was observed for the electron density. Such cyclic behaviors of the electron energy and electron density in the HMDSO-containing plasmas are in good agreement with the evolution processes in dusty plasmas, in which the formation of negative ions followed by an electron attachment on the surfaces of the nanoparticles is a critical phenomenon driving dust growth.« less

Polymer on Top: Current Limits and Future Perspectives of Quantitatively Evaluating Surface Grafting.

PubMed

Michalek, Lukas; Barner, Leonie; Barner-Kowollik, Christopher

2018-03-07

Well-defined polymer strands covalently tethered onto solid substrates determine the properties of the resulting functional interface. Herein, the current approaches to determine quantitative grafting densities are assessed. Based on a brief introduction into the key theories describing polymer brush regimes, a user's guide is provided to estimating maximum chain coverage and-importantly-examine the most frequently employed approaches for determining grafting densities, i.e., dry thickness measurements, gravimetric assessment, and swelling experiments. An estimation of the reliability of these determination methods is provided via carefully evaluating their assumptions and assessing the stability of the underpinning equations. A practical access guide for comparatively and quantitatively evaluating the reliability of a given approach is thus provided, enabling the field to critically judge experimentally determined grafting densities and to avoid the reporting of grafting densities that fall outside the physically realistic parameter space. The assessment is concluded with a perspective on the development of advanced approaches for determination of grafting density, in particular, on single-chain methodologies. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Silicon Nanotips Antireflection Surface for Micro Sun Sensor

NASA Technical Reports Server (NTRS)

Bae, Sam Y.; Lee, Choonsup; Mobasser, Sohrab; Manohara, Harish

2006-01-01

We have developed a new technique to fabricate antireflection surface using silicon nano-tips for use on a micro sun sensor for Mars rovers. We have achieved randomly distributed nano-tips of radius spanning from 20 nm to 100 nm and aspect ratio of 200 using a two-step dry etching process. The 30(deg) specular reflectance at the target wavelength of 1 (mu)m is only about 0.09 %, nearly three orders of magnitude lower than that of bare silicon, and the hemispherical reflectance is 8%. By changing the density and aspect ratio of these nanotips, the change in reflectance is demonstrated. Using surfaces covered with these nano-tips, the critical problem of ghost images that are caused by multiple internal reflections in a micro sun sensor was solved.

Influence of irradiation conditions on plasma evolution in laser-surface interaction

NASA Astrophysics Data System (ADS)

Hermann, J.; Boulmer-Leborgne, C.; Dubreuil, B.; Mihailescu, I. N.

1993-09-01

The plasma plume induced by pulsed CO2 laser irradiation of a Ti target at power densities up to 4×108 W cm-2 was studied by emission spectroscopy. Time- and space-resolved measurements were performed by varying laser intensity, laser temporal pulse shape, ambient gas pressure, and the nature of the ambient gas. Experimental results are discussed by comparison with usual models. We show that shock wave and plasma propagation depend critically on the ratio Ivap/Ii, Ivap being the intensity threshold for surface vaporization and Ii the plasma ignition threshold of the ambient gas. Spectroscopic diagnostics of the helium breakdown plasma show maximum values of electron temperature and electron density in the order of kTe˜10 eV and ne=1018 cm-3, respectively. The plasma cannot be described by local thermodynamic equilibrium modeling. Nevertheless, excited metal atoms appear to be in equilibrium with electrons, hence, they can be used like a probe to measure the electron temperature. In order to get information on the role of the plasma in the laser-surface interaction, Ti surfaces were investigated by microscopy after irradiation. Thus an enhanced momentum transfer from the plasma to the target due to the recoil pressure of the breakdown plasma could be evidenced.

Suppression of Buoyancy in Gaseous Media at High Temperatures

NASA Technical Reports Server (NTRS)

Gokoglu, Suleyman A.; Kuczmarski, Maria A.

2003-01-01

Consider a rectangular box filled with a fluid having a heated bottom and a cold top surface, and insulated side-walls (Benard problem). As the temperature difference between the horizontal top and bottom surfaces increases, a critical condition, defined quantitatively by the Rayleigh number, is reached beyond which density stratification can no longer be sustained by conduction and the fluid disrupts from its stable, quiescent state into an unstable, convective mode in which lighter and heavier gas mix. This paper suggests that such a statement is not necessarily true for gaseous media under normalized temperature differences that are much larger than justifiable for the Boussinesq approximation! In fact, there may be situations where a system cannot ever be made unstable with respect to the onset on buoyant convection no matter how large the temperature (density) difference becomes at a given pressure even under normal gravity! This unexpected behavior is primarily attributed to highly temperature-sensitive kinematic viscosity which counteracts the tendency toward instability and dampens convection by making the gas more viscous at higher temperatures. This compensation of the buoyant force by the viscous force exhibits itself by the formation of a peak hot-surface temperature beyond which a system will tend to be more stable as the hot-surface temperature increases.

Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface

NASA Astrophysics Data System (ADS)

He, Xiaoxia; Shen, Yan; Hung, Francisco R.; Santiso, Erik E.

2016-12-01

Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim+][Cl-] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ˜85 kcal/mol to form a critical nucleus of size ˜3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (˜49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (˜3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (˜4.8 × 1011 cm-3 s-1) is about one order of magnitude faster than the homogeneous rate (˜6.6 × 1010 cm-3 s-1). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide glasses).

Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface.

PubMed

He, Xiaoxia; Shen, Yan; Hung, Francisco R; Santiso, Erik E

2016-12-07

Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim + ][Cl - ] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ∼85 kcal/mol to form a critical nucleus of size ∼3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (∼49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (∼3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (∼4.8 × 10 11 cm -3 s -1 ) is about one order of magnitude faster than the homogeneous rate (∼6.6 × 10 10 cm -3 s -1 ). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide glasses).

Liquid-vapor equilibrium and interfacial properties of square wells in two dimensions

NASA Astrophysics Data System (ADS)

Armas-Pérez, Julio C.; Quintana-H, Jacqueline; Chapela, Gustavo A.

2013-01-01

Liquid-vapor coexistence and interfacial properties of square wells in two dimensions are calculated. Orthobaric densities, vapor pressures, surface tensions, and interfacial thicknesses are reported. Results are presented for a series of potential widths λ* = 1.4, 1.5, 2, 2.5, 3, 3.5, 4, 4.5, and 5, where λ* is given in units of the hard core diameter σ. Critical and triple points are explored. No critical point was found for λ* < 1.4. Corresponding states principle analysis is performed for the whole series. For λ* = 1.4 and 1.5 evidence is presented that at an intermediate temperature between the critical and the triple point temperatures the liquid branch becomes an amorphous solid. This point is recognized in Armas-Pérez et al. [unpublished] as a hexatic phase transition. It is located at reduced temperatures T* = 0.47 and 0.35 for λ* = 1.4 and 1.5, respectively. Properties such as the surface tension, vapor pressure, and interfacial thickness do not present any discontinuity at these points. This amorphous solid branch does not follow the corresponding state principle, which is only applied to liquids and gases.

Remote Sensing of the Solar Wind Density, Speed, and Temperature in the Region between the Sun and Parker Solar Probe

NASA Astrophysics Data System (ADS)

Davila, J. M.; Reginald, N. L.

2017-12-01

A coronagraph is the tool of choice to understand and observe the structure of the corona from space. The novel coronagraph concept presented her provides a new scientific capability that will allow the measurement of density, temperature, and flow velocity in the solar atmosphere. This instrument will provide the first remote sensing measurement of the global solar wind temperature, density, and flow speed in the regions between 3 and 8 Rsun. It is in this region that the manority of the solar wind acceleration takes place, and where the ion compsition of the solar wind is "frozen in". This is also the region of the corona that links the surface of the Sun to the Parker Solar Probe and to Solar Orbiter. The observations suggested here would dramatically improve our understanding of solar wind formation and evolution in this critical region.

Unconventional superconductivity in magic-angle graphene superlattices.

PubMed

Cao, Yuan; Fatemi, Valla; Fang, Shiang; Watanabe, Kenji; Taniguchi, Takashi; Kaxiras, Efthimios; Jarillo-Herrero, Pablo

2018-04-05

The behaviour of strongly correlated materials, and in particular unconventional superconductors, has been studied extensively for decades, but is still not well understood. This lack of theoretical understanding has motivated the development of experimental techniques for studying such behaviour, such as using ultracold atom lattices to simulate quantum materials. Here we report the realization of intrinsic unconventional superconductivity-which cannot be explained by weak electron-phonon interactions-in a two-dimensional superlattice created by stacking two sheets of graphene that are twisted relative to each other by a small angle. For twist angles of about 1.1°-the first 'magic' angle-the electronic band structure of this 'twisted bilayer graphene' exhibits flat bands near zero Fermi energy, resulting in correlated insulating states at half-filling. Upon electrostatic doping of the material away from these correlated insulating states, we observe tunable zero-resistance states with a critical temperature of up to 1.7 kelvin. The temperature-carrier-density phase diagram of twisted bilayer graphene is similar to that of copper oxides (or cuprates), and includes dome-shaped regions that correspond to superconductivity. Moreover, quantum oscillations in the longitudinal resistance of the material indicate the presence of small Fermi surfaces near the correlated insulating states, in analogy with underdoped cuprates. The relatively high superconducting critical temperature of twisted bilayer graphene, given such a small Fermi surface (which corresponds to a carrier density of about 10 11 per square centimetre), puts it among the superconductors with the strongest pairing strength between electrons. Twisted bilayer graphene is a precisely tunable, purely carbon-based, two-dimensional superconductor. It is therefore an ideal material for investigations of strongly correlated phenomena, which could lead to insights into the physics of high-critical-temperature superconductors and quantum spin liquids.

Unconventional superconductivity in magic-angle graphene superlattices

NASA Astrophysics Data System (ADS)

Cao, Yuan; Fatemi, Valla; Fang, Shiang; Watanabe, Kenji; Taniguchi, Takashi; Kaxiras, Efthimios; Jarillo-Herrero, Pablo

2018-04-01

The behaviour of strongly correlated materials, and in particular unconventional superconductors, has been studied extensively for decades, but is still not well understood. This lack of theoretical understanding has motivated the development of experimental techniques for studying such behaviour, such as using ultracold atom lattices to simulate quantum materials. Here we report the realization of intrinsic unconventional superconductivity—which cannot be explained by weak electron–phonon interactions—in a two-dimensional superlattice created by stacking two sheets of graphene that are twisted relative to each other by a small angle. For twist angles of about 1.1°—the first ‘magic’ angle—the electronic band structure of this ‘twisted bilayer graphene’ exhibits flat bands near zero Fermi energy, resulting in correlated insulating states at half-filling. Upon electrostatic doping of the material away from these correlated insulating states, we observe tunable zero-resistance states with a critical temperature of up to 1.7 kelvin. The temperature–carrier-density phase diagram of twisted bilayer graphene is similar to that of copper oxides (or cuprates), and includes dome-shaped regions that correspond to superconductivity. Moreover, quantum oscillations in the longitudinal resistance of the material indicate the presence of small Fermi surfaces near the correlated insulating states, in analogy with underdoped cuprates. The relatively high superconducting critical temperature of twisted bilayer graphene, given such a small Fermi surface (which corresponds to a carrier density of about 1011 per square centimetre), puts it among the superconductors with the strongest pairing strength between electrons. Twisted bilayer graphene is a precisely tunable, purely carbon-based, two-dimensional superconductor. It is therefore an ideal material for investigations of strongly correlated phenomena, which could lead to insights into the physics of high-critical-temperature superconductors and quantum spin liquids.

Using Amphiphilic Copolymers and Nanoparticles to Organize Charged Biopolymers

NASA Astrophysics Data System (ADS)

Park, Jung Hyun; McConnell, Marla; Sun, Yujie; Goldman, Yale; Composto, Russell

2009-03-01

Nanoparticles (NPs) on amphiphilic random copolymers control filamentous actin (F-actin) attachment. 3-aminopropyltriethoxysilane (APTES) coated silica NPs are selectively bonded to acrylic acid groups on the surface of a poly(styrene-r-acrylic acid) (PS-r-PAA) film. By changing the concentration of NPs in the medium, the surface density of positively charged anchors is tuned. Using total internal reflection fluorescence (TIRF) microscopy, immobilization of F-actin is observed via electrostatic interaction with NPs at high NP coverages. Below a critical coverage, F-actin is weakly attached and undergoes thermal fluctuations near the surface. Another method to tune F-actin attachment is to use APTES to cross-link and create positive charge in PAA films. Here, the surface coverage of F-actin decreases as APTES concentration increases. This observation is attributed to an increase in surface roughness and hydrophobicity that reduces the effective surface sites that attract F-actin. In addition, in-situ G-actin polymerization to F-actin is observed on both the NP and cross-linked PAA templates.

Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces

DOE PAGES

Zhang, Lipeng; Xu, Haixuan; Kent, Paul R. C.; ...

2016-05-06

The emergence of two-dimensional metallic states at the LaAlO 3/SrTiO 3 (LAO/STO) heterostructure interface is known to occur at a critical thickness of four LAO over layers. This insulator-to-metal transition can be explained through the polar catastrophe mechanism arising from the divergence of the electrostatic potential at the LAO surface. Here, we demonstrate that nanostructuring can be effective in reducing or eliminating this critical thickness. Employing a modified polar catastrophe" model, we demonstrate that the nanowire heterostructure electrostatic potential diverges more rapidly as a function of layer thickness than in a regular heterostructure. Our first principles calculations indicate that formore » nanowire heterostructure geometries a one-dimensional electron gas (1DEG) can be induced, consistent with recent experimental observations of 1D conductivity in LAO/STO steps. Similar to LAO/STO 2DEGs, we predict that the 1D charge density will decay laterally within a few unit cells away from the nanowire; thus providing a mechanism for tuning the carrier behavior between 1D and 2D conductivity. Furthermore, our work provides insight into the creation and manipulation of charge density at an oxide heterostructure interface and therefore may be beneficial for future nanoelectronic devices and for the engineering of novel quantum phases.« less

Giant increase of critical current density and vortex pinning in Mn doped K{sub x}Fe{sub 2−y}Se{sub 2} single crystals

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

Li, Mingtao; Zhang, Jincang, E-mail: jczhang@staff.shu.edu.cn; Materials Genome Institute, Shanghai University, Shanghai 200444

2014-11-10

We report a comparative study of the critical current density (J{sub c}) and vortex pinning among pure and Mn doped K{sub x}Fe{sub 2−y}Se{sub 2} single crystals. It is found that the J{sub c} values can be greatly improved by Mn doping and post-quenching treatment when comparing to pristine pure sample. In contrast to pure samples, an anomalous second magnetization peak (SMP) effect is observed in both 1% and 2% Mn doped samples at T = 3 K for H∥ab but not for H∥c. Referring to Dew-Hughes and Kramer's model, we performed scaling analyses of the vortex pinning force density vs magnetic field inmore » 1% Mn doped and quenched pristine crystals. The results show that the normal point defects are the dominant pinning sources, which probably originate from the variations of intercalated K atoms. We propose that the large nonsuperconducting K-Mn-Se inclusions may contribute to the partial normal surface pinning and give rise to the anomalous SMP effect for H∥ab in Mn doped crystals. These results may facilitate further understanding of the superconductivity and vortex pinning in intercalated iron-selenides superconductors.« less

Improved oil-off survivability of tapered roller bearings

NASA Technical Reports Server (NTRS)

Kreider, Gary E.; Lee, Peter W.

1987-01-01

The aim of this program is to improve the oil-off survivability of a tapered roller bearing when applied to a helicopter transmission, since the tapered bearing has shown a performance advantage in this application. However, the critical roller end-rib conjunction is vulnerable to damage in an oil-off condition. Three powdered metal materials were selected to use as the rib material for oil-off evaluation. These were: M2 steel to a 65% density, CBS 1000M 65% density, and CBS 1000M 75% density. The bearing styles tested were ribbed cone (inner race) and ribbed cup (outer race). Carburized solid CBS 600 was also used as a ribbed material for comparison of oil-off results. The tests were conducted at six speeds from 4000 rpm (0.26 million DN) through 37000 rpm (2.4 million DN).The ribbed cup style bearing achieved longer lives than the ribbed cone style. A standard bearing lasted only 10 minutes at 4000 rpm; however, the 30-min oil-off goal was achieved through 11000 rpm using the survivable ribbed cup bearing. The oil-off lives at 37000 rpm were less than 10 seconds. The grinding of the powder metal materials and surface preparation to achieve an open porosity is extremely critical to the oil-off performance of the powder metal component.

Multiply Surface-Functionalized Nanoporous Carbon for Vehicular Hydrogen Storage

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

Pfeifer, Peter; Gillespie, Andrew; Stalla, David

The purpose of the project “Multiply Surface-Functionalized Nanoporous Carbon for Vehicular Hydrogen Storage” is the development of materials that store hydrogen (H 2) by adsorption in quantities and at conditions that outperform current compressed-gas H 2 storage systems for electric power generation from hydrogen fuel cells (HFCs). Prominent areas of interest for HFCs are light-duty vehicles (“hydrogen cars”) and replacement of batteries with HFC systems in a wide spectrum of applications, ranging from forklifts to unmanned areal vehicles to portable power sources. State-of-the-art compressed H 2 tanks operate at pressures between 350 and 700 bar at ambient temperature and storemore » 3-4 percent of H 2 by weight (wt%) and less than 25 grams of H 2 per liter (g/L) of tank volume. Thus, the purpose of the project is to engineer adsorbents that achieve storage capacities better than compressed H 2 at pressures less than 350 bar. Adsorption holds H 2 molecules as a high-density film on the surface of a solid at low pressure, by virtue of attractive surface-gas interactions. At a given pressure, the density of the adsorbed film is the higher the stronger the binding of the molecules to the surface is (high binding energies). Thus, critical for high storage capacities are high surface areas, high binding energies, and low void fractions (high void fractions, such as in interstitial space between adsorbent particles, “waste” storage volume by holding hydrogen as non-adsorbed gas). Coexistence of high surface area and low void fraction makes the ideal adsorbent a nanoporous monolith, with pores wide enough to hold high-density hydrogen films, narrow enough to minimize storage as non-adsorbed gas, and thin walls between pores to minimize the volume occupied by solid instead of hydrogen. A monolith can be machined to fit into a rectangular tank (low pressure, conformable tank), cylindrical tank (high pressure), or other tank shape without any waste of volume.« less

Analysis of Mexico City urban air pollution using nitrogen dioxide column density measurements from UV/Visible spectroscopy

NASA Astrophysics Data System (ADS)

Garcia Payne, D. G.; Grutter, M.; Melamed, M. L.

2010-12-01

The differential optical absorption spectroscopy method (DOAS) was used to get column densities of nitrogen dioxide (NO2) from the analysis of zenith sky UV/visible spectra. Since the optical path length provides critical information in interpreting NO2 column densities, in conjunction with NO2 column densities, the oxygen dimer (O4) column density was retrieved to give insight into the optical path length. We report observations of year round NO2 and O4 column densities (from august 2009 to september 2010) from which the mean seasonal levels and the daily evolution, as well as the occurrence of elevated pollution episodes are examined. Surface nitric oxide (NO) and NO2 from the local monitoring network, as well as wind data and the vertical aerosol density from continuous Lidar measurements are used in the analysis to investigate specific events in the context of local emissions from vehicular traffic, photochemical production and transport from industrial emissions. The NO2 column density measurements will enhance the understanding Mexico City urban air pollution. Recent research has begun to unravel the complexity of the air pollution problem in Mexico City and its effects not only locally but on a regional and global scale as well.

The effect of microstructure on the performance of Li-ion porous electrodes

NASA Astrophysics Data System (ADS)

Chung, Ding-Wen

By combining X-ray tomography data and computer-generated porous elec- trodes, the impact of microstructure on the energy and power density of lithium-ion batteries is analyzed. Specifically, for commercial LiMn2O4 electrodes, results indi- cate that a broad particle size distribution of active material delivers up to two times higher energy density than monodisperse-sized particles for low discharge rates, and a monodisperse particle size distribution delivers the highest energy and power density for high discharge rates. The limits of traditionally used microstructural properties such as tortuosity, reactive area density, particle surface roughness, morphological anisotropy were tested against degree of particle size polydispersity, thus enabling the identification of improved porous architectures. The effects of critical battery processing parameters, such as layer compaction and carbon black, were also rationalized in the context of electrode performance. While a monodisperse particle size distribution exhibits the lowest possible tortuosity and three times higher surface area per unit volume with respect to an electrode conformed of a polydisperse particle size distribution, a comparable performance can be achieved by polydisperse particle size distributions with degrees of polydispersity less than 0.2 of particle size standard deviation. The use of non-spherical particles raises the tortuosity by as much as three hundred percent, which considerably lowers the power performance. However, favorably aligned particles can maximize power performance, particularly for high discharge rate applications.

Interfacial tension and vapor-liquid equilibria in the critical region of mixtures

NASA Technical Reports Server (NTRS)

Moldover, Michael R.; Rainwater, James C.

1988-01-01

In the critical region, the concept of two-scale-factor universality can be used to accurately predict the surface tension between near-critical vapor and liquid phases from the singularity in the thermodynamic properties of the bulk fluid. In the present work, this idea is generalized to binary mixtures and is illustrated using the data of Hsu et al. (1985) for CO2 + n-butane. The pressure-temperature-composition-density data for coexisting, near-critical phases of the mixtures are fitted with a thermodynamic potential comprised of a sum of a singular term and nonsingular terms. The nonuniversal amplitudes characterizing the singular term for the mixtures are obtained from the amplitudes for the pure components by interpolation in a space of thermodynamic 'field' variables. The interfacial tensions predicted for the mixtures from the singular term are within 10 percent of the data on three isotherms in the pressure range (Pc - P)/Pc of less than 0.5. This difference is comparable to the combined experimental and model errors.

Momentum and energy transport by waves in the solar atmosphere and solar wind

NASA Technical Reports Server (NTRS)

Jacques, S. A.

1977-01-01

The fluid equations for the solar wind are presented in a form which includes the momentum and energy flux of waves in a general and consistent way. The concept of conservation of wave action is introduced and is used to derive expressions for the wave energy density as a function of heliocentric distance. The explicit form of the terms due to waves in both the momentum and energy equations are given for radially propagating acoustic, Alfven, and fast mode waves. The effect of waves as a source of momentum is explored by examining the critical points of the momentum equation for isothermal spherically symmetric flow. We find that the principal effect of waves on the solutions is to bring the critical point closer to the sun's surface and to increase the Mach number at the critical point. When a simple model of dissipation is included for acoustic waves, in some cases there are multiple critical points.

On the universal behavior of some thermodynamic properties along the whole liquid-vapor coexistence curve

NASA Astrophysics Data System (ADS)

Román, F. L.; White, J. A.; Velasco, S.; Mulero, A.

2005-09-01

When thermodynamic properties of a pure substance are transformed to reduced form by using both critical- and triple-point values, the corresponding experimental data along the whole liquid-vapor coexistence curve can be correlated with a very simple analytical expression that interpolates between the behavior near the triple and the critical points. The leading terms of this expression contain only two parameters: the critical exponent and the slope at the triple point. For a given thermodynamic property, the critical exponent has a universal character but the slope at the triple point can vary significantly from one substance to another. However, for certain thermodynamic properties including the difference of coexisting densities, the enthalpy of vaporization, and the surface tension of the saturated liquid, one finds that the slope at the triple point also has a nearly universal value for a wide class of fluids. These thermodynamic properties thus show a corresponding apparently universal behavior along the whole coexistence curve.

Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

PubMed

DeGregorio, Nicole; Iyengar, Srinivasan S

2018-01-09

We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen-bonded systems is demonstrated here.

Intermittent laser-plasma interactions and hot electron generation in shock ignition

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

Yan, R.; Li, J.; Ren, C.

We study laser-plasma interactions and hot electron generation in the ignition phase of shock ignition through 1D and 2D particle-in-cell simulations in the regime of long density scale length and moderately high laser intensity. These long-term simulations show an intermittent bursting pattern of laser-plasma instabilities, resulting from a coupling of the modes near the quarter-critical-surface and those in the lower density region via plasma waves and laser pump depletion. The majority of the hot electrons are found to be from stimulated Raman scattering and of moderate energies. However, high energy electrons of preheating threat can still be generated from themore » two-plasmon-decay instability.« less

Jump rates for surface diffusion of large molecules from first principles

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

Shea, Patrick, E-mail: patrick.shea@dal.ca; Kreuzer, Hans Jürgen

2015-04-21

We apply a recently developed stochastic model for the surface diffusion of large molecules to calculate jump rates for 9,10-dithioanthracene on a Cu(111) surface. The necessary input parameters for the stochastic model are calculated from first principles using density functional theory (DFT). We find that the inclusion of van der Waals corrections to the DFT energies is critical to obtain good agreement with experimental results for the adsorption geometry and energy barrier for diffusion. The predictions for jump rates in our model are in excellent agreement with measured values and show a marked improvement over transition state theory (TST). Wemore » find that the jump rate prefactor is reduced by an order of magnitude from the TST estimate due to frictional damping resulting from energy exchange with surface phonons, as well as a rotational mode of the diffusing molecule.« less

Role of Cellulose Nanocrystals on the Microstructure of Maleic Anhydride Plasma Polymer Thin Films.

PubMed

Brioude, Michel M; Roucoules, Vincent; Haidara, Hamidou; Vonna, Laurent; Laborie, Marie-Pierre

2015-07-01

Recently, it was shown that the microstructure of a maleic anhydride plasma polymer (MAPP) could be tailored ab initio by adjusting the plasma process parameters. In this work, we aim to investigate the ability of cellulose nanocrystals (CNCs) to induce topographical structuration. Thus, a new approach was designed based on the deposition of MAPP on CNCs model surfaces. The nanocellulosic surfaces were produced by spin-coating the CNC suspension on a silicon wafer substrate and on a hydrophobic silicon wafer substrate patterned with circular hydrophilic microsized domains (diameter of 86.9 ± 4.9 μm), resulting in different degrees of CNC aggregation. By depositing the MAPP over these surfaces, it was possible to observe that the surface fraction of nanostructures increased from 20% to 35%. This observation suggests that CNCs can act as nucleation points resulting in more structures, although a critical density of the CNCs is required.

Reaction pathways of model compounds of biomass-derived oxygenates on Fe/Ni bimetallic surfaces

NASA Astrophysics Data System (ADS)

Yu, Weiting; Chen, Jingguang G.

2015-10-01

Controlling the activity and selectivity of converting biomass-derivatives to fuels and valuable chemicals is critical for the utilization of biomass feedstocks. There are primarily three classes of non-food competing biomass, cellulose, hemicellulose and lignin. In the current work, glycolaldehyde, furfural and acetaldehyde are studied as model compounds of the three classes of biomass-derivatives. Monometallic Ni(111) and monolayer (ML) Fe/Ni(111) bimetallic surfaces are studied for the reaction pathways of the three biomass surrogates. The ML Fe/Ni(111) surface is identified as an efficient surface for the conversion of biomass-derivatives from the combined results of density functional theory (DFT) calculations and temperature programmed desorption (TPD) experiments. A correlation is also established between the optimized adsorption geometry and experimental reaction pathways. These results should provide helpful insights in catalyst design for the upgrading and conversion of biomass.

Importance of length and sequence order on magnesium binding to surface-bound oligonucleotides studied by second harmonic generation and atomic force microscopy.

PubMed

Holland, Joseph G; Geiger, Franz M

2012-06-07

The binding of magnesium ions to surface-bound single-stranded oligonucleotides was studied under aqueous conditions using second harmonic generation (SHG) and atomic force microscopy (AFM). The effect of strand length on the number of Mg(II) ions bound and their free binding energy was examined for 5-, 10-, 15-, and 20-mers of adenine and guanine at pH 7, 298 K, and 10 mM NaCl. The binding free energies for adenine and guanine sequences were calculated to be -32.1(4) and -35.6(2) kJ/mol, respectively, and invariant with strand length. Furthermore, the ion density for adenine oligonucleotides did not change as strand length increased, with an average value of 2(1) ions/strand. In sharp contrast, guanine oligonucleotides displayed a linear relationship between strand length and ion density, suggesting that cooperativity is important. This data gives predictive capabilities for mixed strands of various lengths, which we exploit for 20-mers of adenines and guanines. In addition, the role sequence order plays in strands of hetero-oligonucleotides was examined for 5'-A(10)G(10)-3', 5'-(AG)(10)-3', and 5'-G(10)A(10)-3' (here the -3' end is chemically modified to bind to the surface). Although the free energy of binding is the same for these three strands (averaged to be -33.3(4) kJ/mol), the total ion density increases when several guanine residues are close to the 3' end (and thus close to the solid support substrate). To further understand these results, we analyzed the height profiles of the functionalized surfaces with tapping-mode atomic force microscopy (AFM). When comparing the average surface height profiles of the oligonucleotide surfaces pre- and post- Mg(II) binding, a positive correlation was found between ion density and the subsequent height decrease following Mg(II) binding, which we attribute to reductions in Coulomb repulsion and strand collapse once a critical number of Mg(II) ions are bound to the strand.

Laser-induced cracks in ice due to temperature gradient and thermal stress

NASA Astrophysics Data System (ADS)

Yang, Song; Yang, Ying-Ying; Zhang, Jing-Yuan; Zhang, Zhi-Yan; Zhang, Ling; Lin, Xue-Chun

2018-06-01

This work presents the experimental and theoretical investigations on the mechanism of laser-induce cracks in ice. The laser-induced thermal gradient would generate significant thermal stress and lead to the cracking without thermal melting in the ice. The crack density induced by a pulsed laser in the ice critically depends on the laser scanning speed and the size of the laser spot on the surface, which determines the laser power density on the surface. A maximum of 16 cracks within an area of 17 cm × 10 cm can be generated when the laser scanning speed is at 10 mm/s and the focal point of the laser is right on the surface of the ice with a laser intensity of ∼4.6 × 107 W/cm2. By comparing the infrared images of the ice generated at various experimental conditions, it was found that a larger temperature gradient would result in more laser-induced cracks, while there is no visible melting of the ice by the laser beam. The data confirm that the laser-induced thermal stress is the main cause of the cracks created in the ice.

An interface capturing scheme for modeling atomization in compressible flows

NASA Astrophysics Data System (ADS)

Garrick, Daniel P.; Hagen, Wyatt A.; Regele, Jonathan D.

2017-09-01

The study of atomization in supersonic flow is critical to ensuring reliable ignition of scramjet combustors under startup conditions. Numerical methods incorporating surface tension effects have largely focused on the incompressible regime as most atomization applications occur at low Mach numbers. Simulating surface tension effects in compressible flow requires robust numerical methods that can handle discontinuities caused by both shocks and material interfaces with high density ratios. In this work, a shock and interface capturing scheme is developed that uses the Harten-Lax-van Leer-Contact (HLLC) Riemann solver while a Tangent of Hyperbola for INterface Capturing (THINC) interface reconstruction scheme retains the fluid immiscibility condition in the volume fraction and phasic densities in the context of the five equation model. The approach includes the effects of compressibility, surface tension, and molecular viscosity. One and two-dimensional benchmark problems demonstrate the desirable interface sharpening and conservation properties of the approach. Simulations of secondary atomization of a cylindrical water column after its interaction with a shockwave show good qualitative agreement with experimentally observed behavior. Three-dimensional examples of primary atomization of a liquid jet in a Mach 2 crossflow demonstrate the robustness of the method.

Direct Measurements of Pore Fluid Density by Vibrating Tube Densimetry

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

Gruszkiewicz, Miroslaw S.; Rother, Gernot; Wesolowski, David J.

2012-02-27

The densities of pore-confined fluids were measured for the first time by means of a vibrating tube method. Isotherms of total adsorption capacity were measured directly making the method complementary to the conventional gravimetric or volumetric/piezometric adsorption techniques, which yield the excess adsorption (the Gibbsian surface excess). A custom-made high-pressure, high-temperature vibrating tube densimeter (VTD) was used to measure the densities of subcritical and supercritical propane (between 35 °C and 97 °C) and supercritical carbon dioxide (between 32 C and 50°C) saturating hydrophobic silica aerogel (0.2 g/cm 3, 90% porosity) synthesized inside Hastelloy U-tubes. Additionally, excess adsorption isotherms for supercriticalmore » CO 2 and the same porous solid were measured gravimetrically using a precise magnetically-coupled microbalance. Pore fluid densities and total adsorption isotherms increased monotonically with increasing density of the bulk fluid, in contrast to excess adsorption isotherms, which reached a maximum at a subcritical density of the bulk fluid, and then decreased towards zero or negative values at supercritical densities. Compression of the confined fluid significantly beyond the density of the bulk liquid at the same temperature was observed at subcritical temperatures. The features of the isotherms of confined fluid density are interpreted to elucidate the observed behavior of excess adsorption. The maxima of excess adsorption were found to occur below the critical density of the bulk fluid at the conditions corresponding to the beginning of the plateau of total adsorption, marking the end of the transition of pore fluid to a denser, liquid-like pore phase. The results for propane and carbon dioxide showed similarity in the sense of the principle of corresponding states. No measurable effect of pore confinement on the liquid-vapor critical point was found. Quantitative agreement was obtained between excess adsorption isotherms determined from VTD total adsorption results and those measured gravimetrically at the same temperature, confirming the validity of the vibrating tube measurements. Vibrating tube densimetry was demonstrated as a novel experimental approach capable of providing the average density of pore-confined fluids.« less

Studies of ˜ps laser driven plasmas in line focus geometry

NASA Astrophysics Data System (ADS)

Tallents, G. J.; Al-Hadithi, Y.; Dwivedi, L.; Behjat, A.; Demir, A.; Holden, M.; Krishnan, J.; Zhang, J.; Key, M. H.; Neely, D.; Norreys, P. A.; Lewis, C. L. S.; MacPhee, A. G.

1995-05-01

Measurements of X-ray emission along linear plasmas produced in short pulse (2-12 ps) experiments using the Rutherford Appleton Laboratory glass (1.06 μm) and KrF (0.268 μm) lasers are interpreted to provide information about the uniformity and lateral and axial energy transport of X-ray laser gain media. For fiber targets, the difficulties of achieving uniform irradiation and accurate plasma length measurements are illustrated and discussed. For slab targets, it is shown that the ratio of the distance between the critical density surface and the ablation surface to the laser focal width controls lateral transport in a similar manner as for spot focus experiments.

Methods and systems for fabricating high quality superconducting tapes

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

Majkic, Goran; Selvamanickam, Venkat

An MOCVD system fabricates high quality superconductor tapes with variable thicknesses. The MOCVD system can include a gas flow chamber between two parallel channels in a housing. A substrate tape is heated and then passed through the MOCVD housing such that the gas flow is perpendicular to the tape's surface. Precursors are injected into the gas flow for deposition on the substrate tape. In this way, superconductor tapes can be fabricated with variable thicknesses, uniform precursor deposition, and high critical current densities.

Influence of flow constraints on the properties of the critical endpoint of symmetric nuclear matter

NASA Astrophysics Data System (ADS)

Ivanytskyi, A. I.; Bugaev, K. A.; Sagun, V. V.; Bravina, L. V.; Zabrodin, E. E.

2018-06-01

We propose a novel family of equations of state for symmetric nuclear matter based on the induced surface tension concept for the hard-core repulsion. It is shown that having only four adjustable parameters the suggested equations of state can, simultaneously, reproduce not only the main properties of the nuclear matter ground state, but the proton flow constraint up its maximal particle number densities. Varying the model parameters we carefully examine the range of values of incompressibility constant of normal nuclear matter and its critical temperature, which are consistent with the proton flow constraint. This analysis allows us to show that the physically most justified value of nuclear matter critical temperature is 15.5-18 MeV, the incompressibility constant is 270-315 MeV and the hard-core radius of nucleons is less than 0.4 fm.

Critical patch size generated by Allee effect in gypsy moth, Lymantria dispar (L.)

Treesearch

E. Vercken; A.M. Kramer; P.C. Tobin; J.M. Drake

2011-01-01

Allee effects are important dynamical mechanisms in small-density populations in which per capita population growth rate increases with density. When positive density dependence is sufficiently severe (a 'strong' Allee effect), a critical density arises below which populations do not persist. For spatially distributed populations subject to dispersal, theory...

Droplet evaporation on a horizontal substrate under gravity field by mesoscopic modeling.

PubMed

Xie, Chiyu; Zhang, Jianying; Bertola, Volfango; Wang, Moran

2016-02-01

The evaporation of water drop deposited on a horizontal substrate is investigated using a lattice Boltzmann method (LBM) for multiphase flows with a large-density ratio. To account for the variation of evaporation flux distribution along the drop interface, a novel evaporation scheme is introduced into the LBM framework, and validated by comparison with experimental data. We aim at discovering the effect of gravity on the evaporating drop in detail, and various evaporation conditions are considered as well as different wetting properties of the substrates. An effective diameter is introduced as an indicator of the critical drop size under which gravity is negligible. Our results show that such critical diameter is much smaller than the capillary length, which has been widely accepted as the critical size in previous and current works. The critical diameter is found to be almost independent of the evaporation conditions and the surface wettability. A correlation between this critical diameter and the capillary length is also proposed for easy use in applications. Copyright © 2015 Elsevier Inc. All rights reserved.

High-power, kilojoule laser interactions with near-critical density plasma

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

Willingale, L.; Thomas, A. G. R.; Maksimchuk, A.

Experiments were performed using the Omega EP laser, which provided pulses containing 1kJ of energy in 9ps and was used to investigate high-power, relativistic intensity laser interactions with near-critical density plasmas, created from foam targets with densities of 3-100 mg/cm{sup 3}. The effect of changing the plasma density on both the laser light transmitted through the targets and the proton beam accelerated from the interaction was investigated. Two-dimensional particle-in-cell simulations enabled the interaction dynamics and laser propagation to be studied in detail. The effect of the laser polarization and intensity in the two-dimensional simulations on the channel formation and electronmore » heating are discussed. In this regime, where the plasma density is above the critical density, but below the relativistic critical density, the channel formation speed and therefore length are inversely proportional to the plasma density, which is faster than the hole boring model prediction. A general model is developed to describe the channel length in this regime.« less

Superconductivity in films of Pb/PbSe core/shell nanocrystals.

PubMed

Zolotavin, Pavlo; Guyot-Sionnest, Philippe

2012-09-25

Superconductivity in films of electronically coupled colloidal lead nanocrystals is reported. The coupling between particles is in situ controlled through the conversion of the oxides present on the surface of the nanoparticles to chalcogenides. This transformation allows for a 10(9)-fold increase in the conductivity. The temperature of the onset of the superconductivity was found to depend upon the degree of coupling of the nanoparticles in the vicinity of the insulator-superconductor transition. The critical current density of the best sample of Pb/PbSe nanocrystals at zero magnetic field was determined to be 4 × 10(3) A/cm(2). In turn, the critical field of the sample shows 50-fold enhancement compared to bulk Pb.

The liquid-vapor equilibria of TIP4P/2005 and BLYPSP-4F water models determined through direct simulations of the liquid-vapor interface.

PubMed

Hu, Hongyi; Wang, Feng

2015-06-07

In this paper, the surface tension and critical properties for the TIP4P/2005 and BLYPSP-4F models are reported. A clear dependence of surface tension on the van der Waals cutoff radius (rvdw) is shown when van der Waals interactions are modeled with a simple cutoff scheme. A linear extrapolation formula is proposed that can be used to determine the infinite rvdw surface tension through a few simulations with finite rvdw. A procedure for determining liquid and vapor densities is proposed that does not require fitting to a profile function. Although the critical temperature of water is also found to depend on the choice of rvdw, the dependence is weaker. We argue that a rvdw of 1.75 nm is a good compromise for water simulations when long-range van der Waals correction is not applied. Since the majority of computational programs do not support rigorous treatment of long-range dispersion, the establishment of a minimal acceptable rvdw is important for the simulation of a variety of inhomogeneous systems, such as water bubbles, and water in confined environments. The BLYPSP-4F model predicts room temperature surface tension marginally better than TIP4P/2005 but overestimates the critical temperature. This is expected since only liquid configurations were fit during the development of the BLYPSP-4F potential. The potential is expected to underestimate the stability of vapor and thus overestimate the region of stability for the liquid.

Blowing bubbles in Lennard-Jonesium along the saturation curve.

PubMed

Ashbaugh, Henry S

2009-05-28

Extensive molecular simulations of the Lennard-Jones fluid have been performed to determine its liquid-vapor coexistence properties and solvent contact densities with cavities up to ten times the diameter of the solvent from the triple point to the critical point. These simulations are analyzed using a revised scaled-particle theory [H. S. Ashbaugh and L. R. Pratt, Rev. Mod. Phys. 78, 159 (2006)] to evaluate the thermodynamics of cavity solvation and curvature dependent interfacial properties along the saturation curve. While the thermodynamic signatures of cavity solvation are distinct from those in water, exhibiting a chemical potential dominated by a large temperature independent enthalpy, the solvent dewets cavities of increasing size similar with water near coexistence. The interfacial tension for forming a liquid-wall interface is found to be consistently greater than the liquid-vapor surface tension of the Lennard-Jones fluid by up to 10% and potentially reflects the suppression of high amplitude fluctuations at the cavity surface. The first-order curvature correction for the surface tension is negative and appears to diverge to negative infinity at temperatures approaching the critical point. Our results point to the success of the revised scaled-particle theory at bridging molecular and macroscopic descriptions of cavity solvation.

Immobilization of glucose oxidase to nanostructured films of polystyrene-block-poly(2-vinylpyridine).

PubMed

Bhakta, Samir A; Benavidez, Tomas E; Garcia, Carlos D

2014-09-15

A critical step for the development of biosensors is the immobilization of the biorecognition element to the surface of a substrate. Among other materials that can be used as substrates, block copolymers have the untapped potential to provide significant advantages for the immobilization of proteins. To explore such possibility, this manuscript describes the fabrication and characterization of thin-films of polystyrene-block-poly(2-vinylpyridine) (PS-b-P2VP). These films were then used to investigate the immobilization of glucose oxidase, a model enzyme for the development of biosensors. According to the results presented, the nanoporous films can provide significant increases in surface area of the substrate and the immobilization of larger amounts of active enzyme. The characterization of the substrate-enzyme interface discussed in the manuscript aims to provide critical information about relationship between the surface (material, geometry, and density of pores), the protein structure, and the immobilization conditions (pH, and protein concentration) required to improve the catalytic activity and stability of the enzymes. A maximum normalized activity of 3300±700 U m(-2) was achieved for the nanoporous film of PS-b-P2VP. Copyright © 2014 Elsevier Inc. All rights reserved.

Immobilization of Glucose Oxidase to Nanostructured Films of Polystyrene-block-poly(2-vinylpyridine)

PubMed Central

Bhakta, Samir A; Benavidez, Tomas E; Garcia, Carlos D

2014-01-01

A critical step for the development of biosensors is the immobilization of the biorecognition element to the surface of a substrate. Among other materials that can be used as substrates, block copolymers have the untapped potential to provide significant advantages for the immobilization of proteins. To explore such possibility, this manuscript describes the fabrication and characterization of thin-films of polystyrene-block-poly(2-vinylpyridine) (PS-b-P2VP). These films were then used to investigate the immobilization of glucose oxidase, a model enzyme for the development of biosensors. According to the results presented, the nanoporous films can provide significant increases in surface area of the substrate and the immobilization of larger amounts of active enzyme. The characterization of the substrate-enzyme interface discussed in the manuscript aims to provide critical information about relationship between the surface (material, geometry, and density of pores), the protein structure, and the immobilization conditions (pH, ionic strength, and protein concentration) required to improve the catalytic activity and stability of the enzymes. A maximum normalized activity of 3300 ± 700 U m−2 was achieved for the nanoporous film of PS-b-P2VP. PMID:24980481

Possibility of material cost reduction toward development of low-cost second-generation superconducting wires

NASA Astrophysics Data System (ADS)

Ichinose, Ataru; Horii, Shigeru; Doi, Toshiya

2017-10-01

Two approaches to reducing the material cost of second-generation superconducting wires are proposed in this paper: (1) instead of the electrical stabilizing layers of silver and copper presently used on the superconducting layer, a Nb-doped SrTiO3 conductive buffer layer and cube-textured Cu are proposed as an advanced architecture, and (2) the use of an electromagnetic (EM) steel tape as a metal substrate of coated conductors in a conventional architecture. In structures fabricated without using electrical stabilizing layers on the superconducting layer, the critical current density achieved at 77 K in a self-field was approximately 2.6 MA/cm2. On the other hand, in the case of using EM steel tapes, although the critical current density was far from practical at the current stage, the biaxial alignment of YBa2Cu3O y (YBCO) and buffer layers was realized without oxidation on the metal surface. In this study, the possibility of material cost reduction has been strongly indicated toward the development of low-cost second-generation superconducting wires in the near future.

Critical current density and third-harmonic voltage in superconducting films

NASA Astrophysics Data System (ADS)

Mawatari, Yasunori; Yamasaki, Hirofumi; Nakagawa, Yoshihiko

2002-09-01

When a sinusoidal drive current I0cos ωt flows in a small coil close to the surface of a superconducting film, third-harmonic voltage V3 cos(3ωt+θ3) is induced in the coil if the film causes a nonlinear response. We have developed an approximate theoretical method yielding the relationships among I0, V3, and θ3, thus providing the scientific basis for a widely used inductive method for measuring the critical current density Jc in large-area superconducting films. Our results show that V3 is near zero when I0 is smaller than a threshold value Ic0∝Jcd, where d is the film thickness. When I0>Ic0, on the other hand, the third-harmonic voltage is expressed as V3 exp(-iθ3)=ωIc0G(I0/Ic0), where G(x) is a scaling function determined by the configuration of the coil. We demonstrate the scaling law of V3/Ic0 vs I0/Ic0 in a YBa2Cu3O7-δ film.

Glycosylphosphatidylinositol-anchored high density lipoprotein–binding protein 1 plays a critical role in the lipolytic processing of chylomicrons

PubMed Central

Beigneux, Anne P.; Davies, Brandon S. J.; Gin, Peter; Weinstein, Michael M.; Farber, Emily; Qiao, Xin; Peale, Franklin; Bunting, Stuart; Walzem, Rosemary L.; Wong, Jinny S.; Blaner, William S.; Ding, Zhi-Ming; Melford, Kristan; Wongsiriroj, Nuttaporn; Shu, Xiao; de Sauvage, Fred; Ryan, Robert O.; Fong, Loren G.; Bensadoun, André; Young, Stephen G.

2007-01-01

Summary The triglycerides in chylomicrons are hydrolyzed by lipoprotein lipase (LpL) along the luminal surface of the capillaries. However, the endothelial cell molecule that facilitates chylomicron processing by LpL has not yet been defined. Here, we show that glycosylphosphatidylinositol-anchored high density lipoprotein–binding protein 1 (GPIHBP1) plays a critical role in the lipolytic processing of chylomicrons. Gpihbp1-deficient mice exhibit a striking accumulation of chylomicrons in the plasma, even on a low-fat diet, resulting in milky plasma and plasma triglyceride levels as high as 5,000 mg/dl. Normally, Gpihbp1 is expressed highly in heart and adipose tissue, the same tissues that express high levels of LpL. In these tissues, GPIHBP1 is located on the luminal face of the capillary endothelium. Expression of GPIHBP1 in cultured cells confers the ability to bind both LpL and chylomicrons. These studies strongly suggest that GPIHBP1 is an important platform for the LpL-mediated processing of chylomicrons in capillaries. PMID:17403372

The Low-Recycling Lithium Boundary and Implications for Plasma Transport

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

Granstedt, Erik Michael

Pumping of incident hydrogen and impurity ions by lithium enables control of the particle inventory and fueling profile in magnetic-confined plasmas, and may raise the plasma temperature near the wall. As a result, the density gradient is expected to contribute substantially to the free-energy, affecting particle and thermal transport from micro-turbulence which is typically the dominant transport mechanism in high-temperature fusion experiments. Transport in gyrokinetic simulations of density-gradient-dominated profiles is characterized by a small linear critical gradient, large particle flux, and preferential diffusion of cold particles. As a result, the heat flux is below 5/2 or even 3/2 times themore » particle flux, usually assumed to be the minimum for convection. While surprising, this result is consistent with increasing entropy. Coupled TEM-ITG (ion-temperature- gradient) simulations using ηe = ηi find η = ∇T /∇n∼0.8 maximizes the linear critical pressure gradient, which suggests that experiments operating near marginal ITG stability with larger η would increase the linear critical pressure gradient by transferring free-energy from the temperature gradient to the density gradient. Simulations were performed with profiles predicted for the Lithium Tokamak Experiment (LTX) if ion thermal transport was neoclassical, while electron thermal transport and particle transport were a fixed ratio above the neoclassical level. A robust TEM instability was found for the outer half radius, while the ITG was found to be driven unstable as well during gas puff fueling. This suggests that TEM transport will be an important transport mechanism in high-temperature low-recycling fusion experiments, and in the absence of stabilizing mechanisms, may dominate over neoclassical transport. A diagnostic suite has been developed to measure hydrogen and impurity emission in LTX in order to determine the lower bound on recycling that can be achieved in a small tokamak using solid lithium coatings, assess its dependence on the operating condition of the lithium surface, and evaluate its impact on the discharge. Coatings on the close-fitting stainless-steel substrate produce a significant reduction in recyling, so that the effective particle confinement times are as low as 1 ms. Measurements of particle inventory in the plasma and hydrogen Lyman-α emission indicate that hydrogen recycling at the surface increases as subsequent discharges are performed; nevertheless, strong pumping of hydrogen is observed even after almost double the cumulative fueling is applied that should saturate the lithium coating to the penetration depth of hydrogen ions. Probe measurements show that when external fueling is terminated, the scrape-off-layer of discharges with fresh coatings decays to lower density and rises to higher electron temperature than for discharges with a partially-passivated surface, consistent with reduced edge cooling from recycled particles. Near the end of the discharge, higher plasma current correlates with reduced τp* and hydrogen emission, suggesting that discharges with fresh coatings achieve higher electron temperature in the core. A novel approach using neutral modeling was developed for the inverse problem of determining the distribution of recycled particle flux from PFC surfaces given a large number of emission measurements, revealing that extremely low levels of recycling (Rcore∼0.6 and Rplate∼0.8) have been achieved with solid lithium coatings. Together with impurity emission measurements, modeling suggests that during periods of particularly low electron density, influx of impurities from the walls contributes substantially to the global particle balance.« less

Orientation and Order in Shear-Aligned Thin Films of Cylinder-Forming Block Copolymers

NASA Astrophysics Data System (ADS)

Register, Richard

The regularity and tunability of the nanoscale structure in block copolymers makes their thin films attractive as nanolithographic templates; however, in the absence of a guiding field, self-assembly produces a polygrain structure with no particular orientation and a high density of defects. As demonstrated in the elegant studies of Ed Kramer and coworkers, graphoepitaxy can provide local control over domain orientation, with a dramatic reduction in defect density. Alternatively, cylindrical microdomains lying in the plane of the film can be aligned over macroscopic areas by applying shear stress at the film surface. In non-sheared films of polystyrene-poly(n-hexylmethacrylate) diblocks, PS-PHMA, the PS cylinder axis orientation relative to the surface switches from parallel to perpendicular as a function of film thickness; this oscillation is damped out as the fraction of the PS block increases, away from the sphere-cylinder phase boundary. In aligned films, thicknesses which possess the highest coverage of parallel cylinders prior to shear show the highest quality of alignment post-shear, as measured by the in-plane orientational order parameter. In well-aligned samples of optimal thickness, the quality of alignment is limited by isolated dislocations, whose density is highest at high PS contents, and by undulations in the cylinders' trajectories, whose impact is most severe at low PS contents; consequently, polymers whose compositions lie in the middle of the cylinder-forming region exhibit the highest quality of alignment. The dynamics of the alignment process are also investigated, and fit to a melting-recrystallization model which allows for the determination of two key alignment parameters: the critical stress needed for alignment, and an orientation rate constant. For films containing a monolayer of cylindrical domains, as PS weight fraction or overall molecular weight increases, the critical stress increases moderately, while the rate of alignment drastically decreases. As the number of layers of cylinders in the film increases, the critical stress decreases modestly, while the rate remains unchanged; substrate wetting condition has no measurable influence on alignment response. [Work of Raleigh Davis, in collaboration with Paul Chaikin.

Ambient mass density effects on the International Space Station (ISS) microgravity experiments

NASA Technical Reports Server (NTRS)

Smith, O. E.; Adelfang, S. I.; Smith, R. E.

1996-01-01

The Marshall engineering thermosphere model was specified by NASA to be used in the design, development and testing phases of the International Space Station (ISS). The mass density is the atmospheric parameter which most affects the ISS. Under simplifying assumptions, the critical ambient neutral density required to produce one micro-g on the ISS is estimated using an atmospheric drag acceleration equation. Examples are presented for the critical density versus altitude, and for the critical density that is exceeded at least once a month and once per orbit during periods of low and high solar activity. An analysis of the ISS orbital decay is presented.

Engineered Surface Properties of Porous Tungsten from Cryogenic Machining

NASA Astrophysics Data System (ADS)

Schoop, Julius Malte

Porous tungsten is used to manufacture dispenser cathodes due to it refractory properties. Surface porosity is critical to functional performance of dispenser cathodes because it allows for an impregnated ceramic compound to migrate to the emitting surface, lowering its work function. Likewise, surface roughness is important because it is necessary to ensure uniform wetting of the molten impregnate during high temperature service. Current industry practice to achieve surface roughness and surface porosity requirements involves the use of a plastic infiltrant during machining. After machining, the infiltrant is baked and the cathode pellet is impregnated. In this context, cryogenic machining is investigated as a substitutionary process for the current plastic infiltration process. Along with significant reductions in cycle time and resource use, surface quality of cryogenically machined un-infiltrated (as-sintered) porous tungsten has been shown to significantly outperform dry machining. The present study is focused on examining the relationship between machining parameters and cooling condition on the as-machined surface integrity of porous tungsten. The effects of cryogenic pre-cooling, rake angle, cutting speed, depth of cut and feed are all taken into consideration with respect to machining-induced surface morphology. Cermet and Polycrystalline diamond (PCD) cutting tools are used to develop high performance cryogenic machining of porous tungsten. Dry and pre-heated machining were investigated as a means to allow for ductile mode machining, yet severe tool-wear and undesirable smearing limited the feasibility of these approaches. By using modified PCD cutting tools, high speed machining of porous tungsten at cutting speeds up to 400 m/min is achieved for the first time. Beyond a critical speed, brittle fracture and built-up edge are eliminated as the result of a brittle to ductile transition. A model of critical chip thickness ( hc ) effects based on cutting force, temperature and surface roughness data is developed and used to study the deformation mechanisms of porous tungsten under different machining conditions. It is found that when hmax = hc, ductile mode machining of otherwise highly brittle porous tungsten is possible. The value of hc is approximately the same as the average ligament size of the 80% density porous tungsten workpiece.

Gaps to "Working" on the Surface of Small Bodies

NASA Astrophysics Data System (ADS)

Bellerose, J.

2012-12-01

Upcoming goals for human spaceflight include sending a crewed mission to a near-Earth asteroid (NEA) by 2025. As an alternative to this, a spacecraft could be sent to capture a small NEA, and return it to cislunar orbit where astronauts could take it apart (Brophy, 2012). In parallel, plans are also to take the next big step in resources utilization, and mine those NEAs (Lewicki, 2012). Although these exciting concepts are very different in scope, they share the same environment they will need to interact with. In this work, we discuss the required techniques for exploring and exploiting small bodies, and compare with the available tools and the current knowledge of small bodies. To support these types of missions, a number of in-situ data are required prior to start surface operations: the body shape and mass, the presence of volatiles and metals, the asteroid morphology, the internal structural properties, the surface and near-surface environments, the existence of hazards, and the time-evolution dynamics. Products obtained from remote sensing - maps, mosaics, shape models - are critical in selecting the locations to be investigated in more details, or the locations to be excavated. Composition measurements become especially important for mining, as it requires appropriate tools and techniques. Although spectrometers can be used in orbit and on the surface to determine elemental composition, the fine scale structure and mineralogical composition can only be done using surface probes or through a close-up camera. Those remote sensing images are also critical in planning the very close approaches by the spacecraft, as the small body environment is one of the most perturbed environments (Scheeres, 2000). Being able to recreate the small body dynamics is necessary to mitigate risks and to enable spacecraft docking. The navigation system, vision tools, and planning software become critical as the spacecraft will need to track features on the surface under different light conditions. Perhaps the most difficult data to obtain is the mass of the NEA, where the resolution depends on the NEA size, and the internal structure and stability of the body. It can be shown that current mass determination techniques easily result in 50% resolution on mass estimation. Secondary or surface probes released from a main spacecraft can increase resolution by one order of magnitude compared to traditional methods (Bellerose, 2012). A volume estimate combined with the overall mass of the small body results in a bulk density estimate. The bulk density is a direct insight into surface and sub-surface mechanical stability, and properties such as compaction and porosity. A number of remote sensing and surface instruments are now available for NEA applications, from past missions to new technology developments. We give a quick review of the data and instruments now available. We also identify existing gaps between the available data and requirements associated with surface interacting mission concepts. Finally, we discuss transient dynamical effects due to surface disturbances, and how these effects can put constraints on a mission concept and feed in operational strategies.

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%.

Huge critical current density and tailored superconducting anisotropy in SmFeAsO₀.₈F₀.₁₅ by low-density columnar-defect incorporation.

PubMed

Fang, L; Jia, Y; Mishra, V; Chaparro, C; Vlasko-Vlasov, V K; Koshelev, A E; Welp, U; Crabtree, G W; Zhu, S; Zhigadlo, N D; Katrych, S; Karpinski, J; Kwok, W K

2013-01-01

Iron-based superconductors could be useful for electricity distribution and superconducting magnet applications because of their relatively high critical current densities and upper critical fields. SmFeAsO₀.₈F₀.₁₅ is of particular interest as it has the highest transition temperature among these materials. Here we show that by introducing a low density of correlated nano-scale defects into this material by heavy-ion irradiation, we can increase its critical current density to up to 2 × 10⁷ A cm⁻² at 5 K--the highest ever reported for an iron-based superconductor--without reducing its critical temperature of 50 K. We also observe a notable reduction in the thermodynamic superconducting anisotropy, from 8 to 4 upon irradiation. We develop a model based on anisotropic electron scattering that predicts that the superconducting anisotropy can be tailored via correlated defects in semimetallic, fully gapped type II superconductors.

Critical thresholds in sea lice epidemics: evidence, sensitivity and subcritical estimation

PubMed Central

Frazer, L. Neil; Morton, Alexandra; Krkošek, Martin

2012-01-01

Host density thresholds are a fundamental component of the population dynamics of pathogens, but empirical evidence and estimates are lacking. We studied host density thresholds in the dynamics of ectoparasitic sea lice (Lepeophtheirus salmonis) on salmon farms. Empirical examples include a 1994 epidemic in Atlantic Canada and a 2001 epidemic in Pacific Canada. A mathematical model suggests dynamics of lice are governed by a stable endemic equilibrium until the critical host density threshold drops owing to environmental change, or is exceeded by stocking, causing epidemics that require rapid harvest or treatment. Sensitivity analysis of the critical threshold suggests variation in dependence on biotic parameters and high sensitivity to temperature and salinity. We provide a method for estimating the critical threshold from parasite abundances at subcritical host densities and estimate the critical threshold and transmission coefficient for the two epidemics. Host density thresholds may be a fundamental component of disease dynamics in coastal seas where salmon farming occurs. PMID:22217721

Periodic density functional theory calculations of bulk and the (010) surface of goethite

PubMed Central

Kubicki, James D; Paul, Kristian W; Sparks, Donald L

2008-01-01

Background Goethite is a common and reactive mineral in the environment. The transport of contaminants and anaerobic respiration of microbes are significantly affected by adsorption and reduction reactions involving goethite. An understanding of the mineral-water interface of goethite is critical for determining the molecular-scale mechanisms of adsorption and reduction reactions. In this study, periodic density functional theory (DFT) calculations were performed on the mineral goethite and its (010) surface, using the Vienna Ab Initio Simulation Package (VASP). Results Calculations of the bulk mineral structure accurately reproduced the observed crystal structure and vibrational frequencies, suggesting that this computational methodology was suitable for modeling the goethite-water interface. Energy-minimized structures of bare, hydrated (one H2O layer) and solvated (three H2O layers) (010) surfaces were calculated for 1 × 1 and 3 × 3 unit cell slabs. A good correlation between the calculated and observed vibrational frequencies was found for the 1 × 1 solvated surface. However, differences between the 1 × 1 and 3 × 3 slab calculations indicated that larger models may be necessary to simulate the relaxation of water at the interface. Comparison of two hydrated surfaces with molecularly and dissociatively adsorbed H2O showed a significantly lower potential energy for the former. Conclusion Surface Fe-O and (Fe)O-H bond lengths are reported that may be useful in surface complexation models (SCM) of the goethite (010) surface. These bond lengths were found to change significantly as a function of solvation (i.e., addition of two extra H2O layers above the surface), indicating that this parameter should be carefully considered in future SCM studies of metal oxide-water interfaces. PMID:18477389

Big bang nucleosynthesis and the quark-hadron transition

NASA Technical Reports Server (NTRS)

Kurki-Suonio, Hannu; Matzner, Richard A.; Olive, Keith A.; Schramm, David N.

1990-01-01

An examination and brief review is made of the effects of quark-hadron transition induced fluctuations on Big Bang nucleosynthesis. It is shown that cosmologically critical densities in baryons are difficult to reconcile with observation, but the traditional baryon density constraints from homogeneous calculations might be loosened by as much as 50 percent, to 0.3 of critical density, and the limit on the number of neutrino flavors remains about N(sub nu) is less than or approximately 4. To achieve baryon densities of greater than or approximately 0.3 of critical density would require initial density contrasts R is much greater the 10(exp e), whereas the simplest models for the transition seem to restrict R to less than of approximately 10(exp 2).

Big Bang nucleosynthesis and the Quark-Hadron transition

NASA Technical Reports Server (NTRS)

Kurki-Suonio, Hannu; Matzner, Richard A.; Olive, Keith A.; Schramm, David N.

1989-01-01

An examination and brief review is made of the effects of quark-hadron transistion induced fluctuations on Big Bang nucleosynthesis. It is shown that cosmologically critical densities in baryons are difficult to reconcile with observation, but the traditional baryon density constraints from homogeneous calculations might be loosened by as much as 50 percent, to 0.3 of critical density, and the limit on the number of neutrino flavors remains about N(sub nu) is less than or approximately 4. To achieve baryon densities of greater than or approximately 0.3 of critical density would require initial density contrasts R is much greater the 10(exp 3), whereas the simplest models for the transition seem to restrict R to less than of approximately 10(exp 2).

When Feedback Fails: The Scaling and Saturation of Star Formation Efficiency

NASA Astrophysics Data System (ADS)

Y Grudic, Michael; Hopkins, Philip F.; Faucher-Giguere, Claude-Andre; Quataert, Eliot; Murray, Norman W.; Keres, Dusan

2017-06-01

We present a suite of 3D multi-physics MHD simulations following star formation in isolated turbulent molecular gas disks ranging from 5 to 500 parsecs in radius. These simulations are designed to survey the range of surface densities between those typical of Milky Way GMCs (˜100 M⊙pc-2) and extreme ULIRG environments (˜104M⊙pc-2) so as to map out the scaling of star formation efficiency (SFE) between these two regimes. The simulations include prescriptions for supernova, stellar wind, and radiative feedback, which we find to be essential in determining both the instantaneous (ɛff) and integrated (ɛint) star formation efficiencies. In all simulations, the gas disks form stars until a critical stellar mass has been reached and the remaining gas is blown out by stellar feedback. We find that surface density is the best predictor of ɛint of all of the gas cloud's global properties, as suggested by analytic force balance arguments from previous works. Furthermore, SFE eventually saturates to ˜1 at high surface density, with very good agreement across different spatial scales. We also find a roughly proportional relationship between ɛff and ɛint. These results have implications for star formation in galactic disks, the nature and fate of nuclear starbursts, and the formation of bound star clusters. The scaling of ɛff also contradicts star formation models in which ɛff˜1% universally, including popular subgrid models for galaxy simulations.

Nanoscale morphogenesis of nylon-sputtered plasma polymer particles

NASA Astrophysics Data System (ADS)

Choukourov, Andrei; Shelemin, Artem; Pleskunov, Pavel; Nikitin, Daniil; Khalakhan, Ivan; Hanuš, Jan

2018-05-01

Sub-micron polymer particles are highly important in various fields including astrophysics, thermonuclear fusion and nanomedicine. Plasma polymerization offers the possibility to produce particles with tailor-made size, crosslink density and chemical composition to meet the requirements of a particular application. However, the mechanism of nucleation and growth of plasma polymer particles as well as diversity of their morphology remain far from being clear. Here, we prepared nitrogen-containing plasma polymer particles by rf magnetron sputtering of nylon in a gas aggregation cluster source with variable length. The method allowed the production of particles with roughly constant chemical composition and number density but with the mean size changing from 80 to 320 nm. Atomic Force Microscopy with super-sharp probes was applied to study the evolution of the particle surface topography as they grow in size. Height–height correlation and power spectral density functions were obtained to quantify the roughness exponent α  =  0.78, the growth exponent β  =  0.35, and the dynamic exponent 1/z  =  0.50. The set of critical exponents indicates that the particle surface evolves in a self-affine mode and the overall particle growth is caused by the accretion of polymer-forming species from the gas phase and not by coagulation. Redistribution of the incoming material over the surface coupled with the inhomogeneous distribution of inner stress is suggested as the main factor that determines the morphogenesis of the plasma polymer particles.

A fish eye out of water: epithelial surface projections on aerial and aquatic corneas of the 'four-eyed fish' Anableps anableps.

PubMed

Simmich, Joshua; Temple, Shelby E; Collin, Shaun P

2012-03-01

Vertebrate corneas feature a variety of microprojections, to which a tear film adheres. These microprojections are formed by folds in epithelial cell membranes, which increase surface area, stabilise the tear film and enhance movement of nutritional and waste products across cell membranes. Differences in corneal microprojections among vertebrates have been correlated with habitat and differ markedly between terrestrial and aquatic species. This study investigated epithelial microprojections of both the aerial (dorsal) and aquatic (ventral) corneal surfaces of the 'four-eyed fish' Anableps anableps using scanning electron microscopy. The central region of the dorsal cornea, which projects above the water, had a density of 16,387 ± 3,995 cells per mm(2) , while the central region of the ventral cornea (underwater) had a density of 22,428 ± 6,387 cells per mm(2), a difference that suggests an environmental adaptation along the two visual axes. Both corneal surfaces were found to possess microridges rather than microvilli or microplicae characteristic of terrestrial/aerial vertebrates. Microridges were 142 ± 9 nm wide and did not differ (p = 0.757) between dorsal and ventral corneas. Microridges were consistently separated by a distance of 369 ± 9 nm across both corneas. Dorsal-ventral differences in corneal epithelial cell density in Anableps anableps suggest a difference in osmotic pressure of the two corneas. The modest differences in the microprojections indicate that the need to secure the tear film underlying each optical axis is of prime importance, due to the likelihood that a persistent layer of water normally covers both dorsal and ventral corneal surfaces and that maintaining a transparent optical pathway for vision is critical for a species prone to predation from both above and below the water's surface. © 2012 The Authors. Clinical and Experimental Optometry © 2012 Optometrists Association Australia.

Bulk and surface states carried supercurrent in ballistic Nb-Dirac semimetal Cd3As2 nanowire-Nb junctions

NASA Astrophysics Data System (ADS)

Li, Cai-Zhen; Li, Chuan; Wang, Li-Xian; Wang, Shuo; Liao, Zhi-Min; Brinkman, Alexander; Yu, Da-Peng

2018-03-01

A three-dimensional Dirac semimetal has bulk Dirac cones in all three momentum directions and Fermi arc like surface states, and can be converted into a Weyl semimetal by breaking time-reversal symmetry. However, the highly conductive bulk state usually hides the electronic transport from the surface state in Dirac semimetal. Here, we demonstrate the supercurrent carried by bulk and surface states in Nb -Cd3As2 nanowire-Nb short and long junctions, respectively. For the ˜1 -μ m -long junction, the Fabry-Pérot interferences-induced oscillations of the critical supercurrent are observed, suggesting the ballistic transport of the surface states carried supercurrent, where the bulk states are decoherent and the topologically protected surface states still stay coherent. Moreover, a superconducting dome is observed in the long junction, which is attributed to the enhanced dephasing from the interaction between surface and bulk states as tuning gate voltage to increase the carrier density. The superconductivity of topological semimetal nanowire is promising for braiding of Majorana fermions toward topological quantum computing.

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.

Development and validation of a critical gradient energetic particle driven Alfven eigenmode transport model for DIII-D tilted neutral beam experiments

DOE PAGES

Waltz, Ronald E.; Bass, Eric M.; Heidbrink, William W.; ...

2015-10-30

Recent experiments with the DIII-D tilted neutral beam injection (NBI) varying the beam energetic particle (EP) source profiles have provided strong evidence that unstable Alfven eigenmodes (AE) drive stiff EP transport at a critical EP density gradient. Here the critical gradient is identified by the local AE growth rate being equal to the local ITG/TEM growth rate at the same low toroidal mode number. The growth rates are taken from the gyrokinetic code GYRO. Simulation show that the slowing down beam-like EP distribution has a slightly lower critical gradient than the Maxwellian. The ALPHA EP density transport code, used tomore » validate the model, combines the low-n stiff EP critical density gradient AE mid-core transport with the energy independent high-n ITG/TEM density transport model controling the central core EP density profile. For the on-axis NBI heated DIII-D shot 146102, while the net loss to the edge is small, about half the birth fast ions are transported from the central core r/a < 0.5 and the central density is about half the slowing down density. Lastly, these results are in good agreement with experimental fast ion pressure profiles inferred from MSE constrained EFIT equilibria.« less

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

Khomkin, A. L., E-mail: alhomkin@mail.ru; Shumikhin, A. S.

The conductivity of metal vapors at the critical point and near it has been considered. The liquid-metal conductivity originates in this region. The thermodynamic parameters of the critical point, the density of conduction electrons, and the conductivities of various metal vapors have been calculated within the unified approach. It has been proposed to consider the conductivity at the critical point—critical conductivity—as the fourth critical parameter in addition to the density, temperature, and pressure.

Flexible carbon micro-supercapacitors prepared by direct cw-laser writing

NASA Astrophysics Data System (ADS)

Cai, Jinguang; Watanabe, Akira

2016-03-01

Micro-/nano-scale power supply units with high energy and high power densities are critical components for the development of compact miniaturized portable electronic devices. Supercapacitors have attracted many research attentions due to their high power density, robust cycle performance, pollution-free operation, and maintenance-free features. Besides, the properties of small size, light weight, and flexibility are also required. On-chip microsupercapacitors (MSCs) have the potential acting as power supply units in portable devices, due to their simplified packaging processes and compatibility to the integrated circuits. However, the fabrication methods and materials should be cost-effective, scalable, and compatible to current electronic industry. Carbon materials own high specific surface areas, electrochemical stability, and high electrical conductivity, which are critical parameters for high-power supercapacitors. Moreover, the high mechanical tolerance makes them good candidates for flexible wearable devices. Therefore, MSCs based on carbon materials would satisfy the requirements of portable electronics. In this work, we demonstrated the fabrication of carbon MSCs by laser direct writing on commercial polyimide sheets in Ar with lowcost semiconductor cw-laser with a wavelength of 405nm. The obtained structures are macro-nanostructures comprising graphitized and amorphous carbon with relatively smooth surfaces and low resistance, in compared with the structures obtained by laser writing in air. As-prepared micro-supercapacitors show a high capacitance of about 14.9 mF/cm2 at a scanning rate of 10 mV/s, which is comparable to the reported highest capacitance of carbon-based supercapacitors fabricated by pulse-laser writing.

Influence of field dependent critical current density on flux profiles in high Tc superconductors

NASA Technical Reports Server (NTRS)

Takacs, S.

1990-01-01

The field distribution for superconducting cylinders and slabs with field dependent critical current densities in combined DC and AC magnetic fields and the corresponding magnetic fluxes are calculated. It is shown that all features of experimental magnetic-field profile measurements can be explained in the framework of field dependent critical current density. Even the quantitative agreement between the experimental and theoretical results using Kim's model is very good.

Radiation characteristics of input power from surface wave sustained plasma antenna

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

Naito, T., E-mail: Naito.Teruki@bc.MitsubishiElectric.co.jp; Yamaura, S.; Fukuma, Y.

This paper reports radiation characteristics of input power from a surface wave sustained plasma antenna investigated theoretically and experimentally, especially focusing on the power consumption balance between the plasma generation and the radiation. The plasma antenna is a dielectric tube filled with argon and small amount of mercury, and the structure is a basic quarter wavelength monopole antenna at 2.45 GHz. Microwave power at 2.45 GHz is supplied to the plasma antenna. The input power is partially consumed to sustain the plasma, and the remaining part is radiated as a signal. The relationship between the antenna gain and the input powermore » is obtained by an analytical derivation and numerical simulations. As a result, the antenna gain is kept at low values, and most of the input power is consumed to increase the plasma volume until the tube is filled with the plasma whose electron density is higher than the critical electron density required for sustaining the surface wave. On the other hand, the input power is consumed to increase the electron density after the tube is fully filled with the plasma, and the antenna gain increases with increasing the electron density. The dependence of the antenna gain on the electron density is the same as that of a plasma antenna sustained by a DC glow discharge. These results are confirmed by experimental results of the antenna gain and radiation patterns. The antenna gain of the plasma is a few dB smaller than that of the identical metal antenna. The antenna gain of the plasma antenna is sufficient for the wireless communication, although it is difficult to substitute the plasma antenna for metal antennas completely. The plasma antenna is suitable for applications having high affinity with the plasma characteristics such as low interference and dynamic controllability.« less

Analysis of impact crater populations and the geochronology of planetary surfaces in the inner solar system

NASA Astrophysics Data System (ADS)

Fassett, Caleb I.

2016-10-01

Analyzing the density of impact craters on planetary surfaces is the only known technique for learning their ages remotely. As a result, crater statistics have been widely analyzed on the terrestrial planets, since the timing and rates of activity are critical to understanding geologic process and history. On the Moon, the samples obtained by the Apollo and Luna missions provide critical calibration points for cratering chronology. On Mercury, Venus, and Mars, there are no similarly firm anchors for cratering rates, but chronology models have been established by extrapolating from the lunar record or by estimating their impactor fluxes in other ways. This review provides a current perspective on crater population measurements and their chronological interpretation. Emphasis is placed on how ages derived from crater statistics may be contingent on assumptions that need to be considered critically. In addition, ages estimated from crater populations are somewhat different than ages from more familiar geochronology tools (e.g., radiometric dating). Resurfacing processes that remove craters from the observed population are particularly challenging to account for, since they can introduce geologic uncertainty into results or destroy information about the formation age of a surface. Regardless of these challenges, crater statistics measurements have resulted in successful predictions later verified by other techniques, including the age of the lunar maria, the existence of a period of heavy bombardment in the Moon's first billion years, and young volcanism on Mars.

Development of a high-performance boiling heat exchanger by improved liquid supply to narrow channels.

PubMed

Ohta, Haruhiko; Ohno, Toshiyuki; Hioki, Fumiaki; Shinmoto, Yasuhisa

2004-11-01

A two-phase flow loop is a promising method for application to thermal management systems for large-scale space platforms handling large amounts of energy. Boiling heat transfer reduces the size and weight of cold plates. The transportation of latent heat reduces the mass flow rate of working fluid and pump power. To develop compact heat exchangers for the removal of waste heat from electronic devices with high heat generation density, experiments on a method to increase the critical heat flux for a narrow heated channel between parallel heated and unheated plates were conducted. Fine grooves are machined on the heating surface in a transverse direction to the flow and liquid is supplied underneath flattened bubbles by the capillary pressure difference from auxiliary liquid channels separated by porous metal plates from the main heated channel. The critical heat flux values for the present heated channel structure are more than twice those for a flat surface at gap sizes 2 mm and 0.7 mm. The validity of the present structure with auxiliary liquid channels is confirmed by experiments in which the liquid supply to the grooves is interrupted. The increment in the critical heat flux compared to those for a flat surface takes a maximum value at a certain flow rate of liquid supply to the heated channel. The increment is expected to become larger when the length of the heated channel is increased and/or the gravity level is reduced.

Mapping forest canopy fuels in Yellowstone National Park using lidar and hyperspectral data

NASA Astrophysics Data System (ADS)

Halligan, Kerry Quinn

The severity and size of wildland fires in the forested western U.S have increased in recent years despite improvements in fire suppression efficiency. This, along with increased density of homes in the wildland-urban interface, has resulted in high costs for fire management and increased risks to human health, safety and property. Crown fires, in comparison to surface fires, pose an especially high risk due to their intensity and high rate of spread. Crown fire models require a range of quantitative fuel parameters which can be difficult and costly to obtain, but advances in lidar and hyperspectral sensor technologies hold promise for delivering these inputs. Further research is needed, however, to assess the strengths and limitations of these technologies and the most appropriate analysis methodologies for estimating crown fuel parameters from these data. This dissertation focuses on retrieving critical crown fuel parameters, including canopy height, canopy bulk density and proportion of dead canopy fuel, from airborne lidar and hyperspectral data. Remote sensing data were used in conjunction with detailed field data on forest parameters and surface reflectance measurements. A new method was developed for retrieving Digital Surface Model (DSM) and Digital Canopy Models (DCM) from first return lidar data. Validation data on individual tree heights demonstrated the high accuracy (r2 0.95) of the DCMs developed via this new algorithm. Lidar-derived DCMs were used to estimate critical crown fire parameters including available canopy fuel, canopy height and canopy bulk density with linear regression model r2 values ranging from 0.75 to 0.85. Hyperspectral data were used in conjunction with Spectral Mixture Analysis (SMA) to assess fuel quality in the form of live versus dead canopy proportions. Severity and stage of insect-caused forest mortality were estimated using the fractional abundance of green vegetation, non-photosynthetic vegetation and shade obtained from SMA. Proportion of insect attack was estimated with a linear model producing an r2 of 0.6 using SMA and bark endmembers from image and reference libraries. Fraction of red attack, with a possible link to increased crown fire risk, was estimated with an r2 of 0.45.

Surface tension of droplets and Tolman lengths of real substances and mixtures from density functional theory

NASA Astrophysics Data System (ADS)

Rehner, Philipp; Gross, Joachim

2018-04-01

The curvature dependence of interfacial properties has been discussed extensively over the last decades. After Tolman published his work on the effect of droplet size on surface tension, where he introduced the interfacial property now known as Tolman length, several studies were performed with varying results. In recent years, however, some consensus has been reached about the sign and magnitude of the Tolman length of simple model fluids. In this work, we re-examine Tolman's equation and how it relates the Tolman length to the surface tension and we apply non-local classical density functional theory (DFT) based on the perturbed chain statistical associating fluid theory (PC-SAFT) to characterize the curvature dependence of the surface tension of real fluids as well as mixtures. In order to obtain a simple expression for the surface tension, we use a first-order expansion of the Tolman length as a function of droplet radius Rs, as δ(Rs) = δ0 + δ1/Rs, and subsequently expand Tolman's integral equation for the surface tension, whereby a second-order expansion is found to give excellent agreement with the DFT result. The radius-dependence of the surface tension of increasingly non-spherical substances is studied for n-alkanes, up to icosane. The infinite diameter Tolman length is approximately δ0 = -0.38 Å at low temperatures. For more strongly non-spherical substances and for temperatures approaching the critical point, however, the infinite diameter Tolman lengths δ0 turn positive. For mixtures, even if they contain similar molecules, the extrapolated Tolman length behaves strongly non-ideal, implying a qualitative change of the curvature behavior of the surface tension of the mixture.

Surface tension of droplets and Tolman lengths of real substances and mixtures from density functional theory.

PubMed

Rehner, Philipp; Gross, Joachim

2018-04-28

The curvature dependence of interfacial properties has been discussed extensively over the last decades. After Tolman published his work on the effect of droplet size on surface tension, where he introduced the interfacial property now known as Tolman length, several studies were performed with varying results. In recent years, however, some consensus has been reached about the sign and magnitude of the Tolman length of simple model fluids. In this work, we re-examine Tolman's equation and how it relates the Tolman length to the surface tension and we apply non-local classical density functional theory (DFT) based on the perturbed chain statistical associating fluid theory (PC-SAFT) to characterize the curvature dependence of the surface tension of real fluids as well as mixtures. In order to obtain a simple expression for the surface tension, we use a first-order expansion of the Tolman length as a function of droplet radius R s , as δ(R s ) = δ 0 + δ 1 /R s , and subsequently expand Tolman's integral equation for the surface tension, whereby a second-order expansion is found to give excellent agreement with the DFT result. The radius-dependence of the surface tension of increasingly non-spherical substances is studied for n-alkanes, up to icosane. The infinite diameter Tolman length is approximately δ 0 = -0.38 Å at low temperatures. For more strongly non-spherical substances and for temperatures approaching the critical point, however, the infinite diameter Tolman lengths δ 0 turn positive. For mixtures, even if they contain similar molecules, the extrapolated Tolman length behaves strongly non-ideal, implying a qualitative change of the curvature behavior of the surface tension of the mixture.

Dry efficient cleaning of poly-methyl-methacrylate residues from graphene with high-density H{sub 2} and H{sub 2}-N{sub 2} plasmas

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

Cunge, G., E-mail: gilles.cunge@cea.fr; Petit-Etienne, C.; Davydova, A.

Graphene is the first engineering electronic material, which is purely two-dimensional: it consists of two exposed sp{sup 2}-hybridized carbon surfaces and has no bulk. Therefore, surface effects such as contamination by adsorbed polymer residues have a critical influence on its electrical properties and can drastically hamper its widespread use in devices fabrication. These contaminants, originating from mandatory technological processes of graphene synthesis and transfer, also impact fundamental studies of the electronic and structural properties at the atomic scale. Therefore, graphene-based technology and research requires “soft” and selective surface cleaning techniques dedicated to limit or to suppress this surface contamination. Here,more » we show that a high-density H{sub 2} and H{sub 2}-N{sub 2} plasmas can be used to selectively remove polymeric residues from monolayer graphene without any damage on the graphene surface. The efficiency of this dry-cleaning process is evidenced unambiguously by a set of spectroscopic and microscopic methods, providing unprecedented insights on the cleaning mechanisms and highlighting the role of specific poly-methyl-methacrylate residues at the graphene interface. The plasma is shown to perform much better cleaning than solvents and has the advantage to be an industrially mature technology adapted to large area substrates. The process is transferable to other kinds of two-dimensional material and heterostructures.« less

Time scales of supercooled water and implications for reversible polyamorphism

NASA Astrophysics Data System (ADS)

Limmer, David T.; Chandler, David

2015-09-01

Deeply supercooled water exhibits complex dynamics with large density fluctuations, ice coarsening and characteristic time scales extending from picoseconds to milliseconds. Here, we discuss implications of these time scales as they pertain to two-phase coexistence and to molecular simulations of supercooled water. Specifically, we argue that it is possible to discount liquid-liquid criticality because the time scales imply that correlation lengths for such behaviour would be bounded by no more than a few nanometres. Similarly, it is possible to discount two-liquid coexistence because the time scales imply a bounded interfacial free energy that cannot grow in proportion to a macroscopic surface area. From time scales alone, therefore, we see that coexisting domains of differing density in supercooled water can be no more than nanoscale transient fluctuations.

Scanning tunneling spectroscopy and vortex imaging in the iron pnictide superconductor BaFe1.8Co0.2As2.

PubMed

Yin, Yi; Zech, M; Williams, T L; Wang, X F; Wu, G; Chen, X H; Hoffman, J E

2009-03-06

We present an atomic resolution scanning tunneling spectroscopy study of superconducting BaFe1.8Co0.2As2 single crystals in magnetic fields up to 9 T. At zero field, a single gap with coherence peaks at Delta=6.25 meV is observed in the density of states. At 9 and 6 T, we image a disordered vortex lattice, consistent with isotropic, single flux quantum vortices. Vortex locations are uncorrelated with strong-scattering surface impurities, demonstrating bulk pinning. The vortex-induced subgap density of states fits an exponential decay from the vortex center, from which we extract a coherence length xi=27.6+/-2.9 A, corresponding to an upper critical field Hc2=43 T.

Effect of diameter of metal nanowires on pool boiling heat transfer with FC-72

NASA Astrophysics Data System (ADS)

Kumar G., Udaya; S., Suresh; M. R., Thansekhar; Babu P., Dinesh

2017-11-01

Effect of varying diameter of metal nanowires on pool boiling heat transfer performance is presented in this study. Copper nanowires (CuNWs) of four different diameters (∼35 nm, ∼70 nm, ∼130 nm and ∼200 nm) were grown directly on copper specimen using template-based electrodeposition technique. Both critical heat flux (CHF) and boiling heat transfer coefficient (h) were found to be improved in surfaces with nanowires as compared to the bare copper surface. Moreover, both the parameters were found to increase with increasing diameter of the nanowires. The percentage increases observed in CHF for the samples with nanowires were 38.37%, 40.16%, 48.48% and 45.57% whereas the percentage increase in the heat transfer coefficient were 86.36%, 95.45%, 184.1% and 131.82% respectively as compared to the bare copper surface. Important reasons believed for this enhancement were improvement in micron scale cavity density and cavity size which arises as a result of the coagulation and grouping of nanowires during the drying process. In addition to this, superhydrophilic nature, capillary effect, and enhanced bubble dynamics parameters (bubble frequency, bubble departure diameter, and nucleation site density) were found to be the concurring mechanisms responsible for this enhancement in heat transfer performance. Qualitative bubble dynamics analysis was done for the surfaces involved and the visual observations are provided to support the results presented and discussed.

Effects of the surroundings and conformerisation of n-dodecane molecules on evaporation/condensation processes

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

Gun’ko, Vladimir M.; Sir Harry Ricardo Laboratories, School of Computing, Engineering and Mathematics, University of Brighton, Cockcroft Building, Lewes Road, Brighton BN2 4GJ; Nasiri, Rasoul

2015-01-21

The evaporation/condensation coefficient (β) and the evaporation rate (γ) for n-dodecane vs. temperature, gas pressure, gas and liquid density, and solvation effects at a droplet surface are analysed using quantum chemical density functional theory calculations of several ensembles of conformers of n-dodecane molecules in the gas phase (hybrid functional ωB97X-D with the cc-pVTZ and cc-pVDZ basis sets) and in liquid phase (solvation method: SMD/ωB97X-D). It is shown that β depends more strongly on a number of neighbouring molecules interacting with an evaporating molecule at a droplet surface (this number is estimated through changes in the surface Gibbs free energy ofmore » solvation) than on pressure in the gas phase or conformerisation and cross-conformerisation of molecules in both phases. Thus, temperature and the surrounding effects at droplet surfaces are the dominant factors affecting the values of β for n-dodecane molecules. These values are shown to be similar (at reduced temperatures T/T{sub c} < 0.8) or slightly larger (at T/T{sub c} > 0.8) than the values of β calculated by the molecular dynamics force fields (MD FF) methods. This endorses the reliability of the previously developed classical approach to estimation of β by the MD FF methods, except at temperatures close to the critical temperature.« less

Temperature Dependent Surface Structures and Electronic Properties of Organic-Inorganic Hybrid Perovskite Single Crystals

NASA Astrophysics Data System (ADS)

Jao, M.-H.; Teague, M. L.; Huang, J.-S.; Tseng, W.-S.; Yeh, N.-C.

Organic-inorganic hybrid perovskites, arising from research of low-cost high performance photovoltaics, have become promising materials not only for solar cells but also for various optoelectronic and spintronic applications. An interesting aspect of the hybrid perovskites is that their material properties, such as the band gap, can be easily tuned by varying the composition, temperature, and the crystalline phases. Additionally, the surface structure is critically important for their optoelectronic applications. It is speculated that different crystalline facets could show different trap densities, thus resulting in microscopically inhomogeneous performance. Here we report direct studies of the surface structures and electronic properties of hybrid perovskite CH3NH3PbI3 single crystals by scanning tunneling microscopy and spectroscopy (STM/STS). We found long-range spatially homogeneous tunneling conductance spectra with a well-defined energy gap of (1.55 +/- 0.1) eV at 300 K in the tetragonal phase, suggesting high quality of the single crystals. The energy gap increased to (1.81 +/- 0.1) eV in the orthorhombic phase, below the tetragonal-to-orthorhombic phase transition temperature at 150 K. Detailed studies of the temperature evolution in the spatially resolved surface structures and local density of states will be discussed to elucidate how these properties may influence the optoelectronic performance of the hybrid perovskites. We thank the support from NTU in Taiwan and from NSF in the US.

Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2 H -TaS2

NASA Astrophysics Data System (ADS)

Zhao, J.; Wijayaratne, K.; Butler, A.; Yang, J.; Malliakas, C. D.; Chung, D. Y.; Louca, D.; Kanatzidis, M. G.; van Wezel, J.; Chatterjee, U.

2017-09-01

We report an in-depth angle-resolved photoemission spectroscopy study on 2 H -TaS2 , a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2 H -TaSe2 and 2 H -NbSe2 , the energy gap (ΔCDW) of 2 H -TaS2 is localized along the K -centered Fermi surface barrels and is particle-hole asymmetric. The persistence of ΔCDW even at temperatures higher than the CDW transition temperature TCDW in 2 H -TaS2 , reflects the similar pseudogap behavior observed previously in 2 H -TaSe2 and 2 H -NbSe2 . However, in sharp contrast to 2 H -NbSe2 , where ΔCDW is nonzero only in the vicinity of a few "hot spots" on the inner K -centered Fermi surface barrels, ΔCDW in 2 H -TaS2 is nonzero along the entirety of both K -centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of ΔCDW between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.

The role of a-axis grains in the transition to the normal state of YBa{sub 2}Cu{sub 3}O{sub 7−δ} films and of 2G-coated conductors when induced by high electrical current densities

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

Bernstein, P., E-mail: pierre.bernstein@ensicaen.fr; Harnois, C.; Mc Loughlin, C.

The influence of surface defects, in particular of a-axis grains, on the transition to the normal state induced by high current densities in YBa{sub 2}Cu{sub 3}O{sub 7−δ} (YBCO) thin films and in a commercial 2G-coated conductor is investigated. For that purpose, the surface of the samples is observed by scanning electron microscopy and isothermal current-voltage curves are measured at different temperatures with pulsed currents up to the quenching value I*. The results show that the ratio of I* to the critical current is large if a-axis grains are not visible at the surface of the YBCO films, while it ismore » much lower if the surface includes a-axis grains as this is the case for the coated conductor. The connection between the transition onset and the vortex dynamics, as well as the role of the a-axis grains in this process are discussed. The relation between the I* values obtained from thermal calculations and those resulting from vortex dynamics considerations is also discussed, as well as the possible consequences suggested by this work for the different applications of the coated conductors.« less

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.

Constructing the AdS dual of a Fermi liquid: AdS black holes with Dirac hair

NASA Astrophysics Data System (ADS)

Čubrović, Mihailo; Zaanen, Jan; Schalm, Koenraad

2011-10-01

We provide evidence that the holographic dual to a strongly coupled charged Fermi liquid has a non-zero fermion density in the bulk. We show that the pole-strength of the stable quasiparticle characterizing the Fermi surface is encoded in the AdS probability density of a single normalizable fermion wavefunction in AdS. Recalling Migdal's theorem which relates the pole strength to the Fermi-Dirac characteristic discontinuity in the number density at ω F , we conclude that the AdS dual of a Fermi liquid is described by occupied on-shell fermionic modes in AdS. Encoding the occupied levels in the total spatially averaged probability density of the fermion field directly, we show that an AdS Reissner-Nordström black holein a theory with charged fermions has a critical temperature, at which the system undergoes a first-order transition to a black hole with a non-vanishing profile for the bulk fermion field. Thermodynamics and spectral analysis support that the solution with non-zero AdS fermion-profile is the preferred ground state at low temperatures.

Determination of Spatially Resolved Tablet Density and Hardness Using Near-Infrared Chemical Imaging (NIR-CI).

PubMed

Talwar, Sameer; Roopwani, Rahul; Anderson, Carl A; Buckner, Ira S; Drennen, James K

2017-08-01

Near-infrared chemical imaging (NIR-CI) combines spectroscopy with digital imaging, enabling spatially resolved analysis and characterization of pharmaceutical samples. Hardness and relative density are critical quality attributes (CQA) that affect tablet performance. Intra-sample density or hardness variability can reveal deficiencies in formulation design or the tableting process. This study was designed to develop NIR-CI methods to predict spatially resolved tablet density and hardness. The method was implemented using a two-step procedure. First, NIR-CI was used to develop a relative density/solid fraction (SF) prediction method for pure microcrystalline cellulose (MCC) compacts only. A partial least squares (PLS) model for predicting SF was generated by regressing the spectra of certain representative pixels selected from each image against the compact SF. Pixel selection was accomplished with a threshold based on the Euclidean distance from the median tablet spectrum. Second, micro-indentation was performed on the calibration compacts to obtain hardness values. A univariate model was developed by relating the empirical hardness values to the NIR-CI predicted SF at the micro-indented pixel locations: this model generated spatially resolved hardness predictions for the entire tablet surface.

Zeno: Critical Fluid Light Scattering Experiment

NASA Technical Reports Server (NTRS)

Gammon, Robert W.; Shaumeyer, J. N.; Briggs, Matthew E.; Boukari, Hacene; Gent, David A.; Wilkinson, R. Allen

1996-01-01

The Zeno (Critical Fluid Light Scattering) experiment is the culmination of a long history of critical fluid light scattering in liquid-vapor systems. The major limitation to making accurate measurements closer to the critical point was the density stratification which occurs in these extremely compressible fluids. Zeno was to determine the critical density fluctuation decay rates at a pair of supplementary angles in the temperature range 100 mK to 100 (mu)K from T(sub c) in a sample of xenon accurately loaded to the critical density. This paper gives some highlights from operating the instrument on two flights March, 1994 on STS-62 and February, 1996 on STS-75. More detail of the experiment Science Requirements, the personnel, apparatus, and results are displayed on the Web homepage at http://www.zeno.umd.edu.

What happens to your brain on the way to Mars.

PubMed

Parihar, Vipan K; Allen, Barrett; Tran, Katherine K; Macaraeg, Trisha G; Chu, Esther M; Kwok, Stephanie F; Chmielewski, Nicole N; Craver, Brianna M; Baulch, Janet E; Acharya, Munjal M; Cucinotta, Francis A; Limoli, Charles L

2015-05-01

As NASA prepares for the first manned spaceflight to Mars, questions have surfaced concerning the potential for increased risks associated with exposure to the spectrum of highly energetic nuclei that comprise galactic cosmic rays. Animal models have revealed an unexpected sensitivity of mature neurons in the brain to charged particles found in space. Astronaut autonomy during long-term space travel is particularly critical as is the need to properly manage planned and unanticipated events, activities that could be compromised by accumulating particle traversals through the brain. Using mice subjected to space-relevant fluences of charged particles, we show significant cortical- and hippocampal-based performance decrements 6 weeks after acute exposure. Animals manifesting cognitive decrements exhibited marked and persistent radiation-induced reductions in dendritic complexity and spine density along medial prefrontal cortical neurons known to mediate neurotransmission specifically interrogated by our behavioral tasks. Significant increases in postsynaptic density protein 95 (PSD-95) revealed major radiation-induced alterations in synaptic integrity. Impaired behavioral performance of individual animals correlated significantly with reduced spine density and trended with increased synaptic puncta, thereby providing quantitative measures of risk for developing cognitive decrements. Our data indicate an unexpected and unique susceptibility of the central nervous system to space radiation exposure, and argue that the underlying radiation sensitivity of delicate neuronal structure may well predispose astronauts to unintended mission-critical performance decrements and/or longer-term neurocognitive sequelae.

On the critical temperature, normal boiling point, and vapor pressure of ionic liquids.

PubMed

Rebelo, Luis P N; Canongia Lopes, José N; Esperança, José M S S; Filipe, Eduardo

2005-04-07

One-stage, reduced-pressure distillations at moderate temperature of 1-decyl- and 1-dodecyl-3-methylimidazolium bistriflilamide ([Ntf(2)](-)) ionic liquids (ILs) have been performed. These liquid-vapor equilibria can be understood in light of predictions for normal boiling points of ILs. The predictions are based on experimental surface tension and density data, which are used to estimate the critical points of several ILs and their corresponding normal boiling temperatures. In contrast to the situation found for relatively unstable ILs at high-temperature such as those containing [BF(4)](-) or [PF(6)](-) anions, [Ntf(2)](-)-based ILs constitute a promising class in which reliable, accurate vapor pressure measurements can in principle be performed. This property is paramount for assisting in the development and testing of accurate molecular models.

Evolution of the SrTiO3 surface electronic state as a function of LaAlO3 overlayer thickness

NASA Astrophysics Data System (ADS)

Plumb, N. C.; Kobayashi, M.; Salluzzo, M.; Razzoli, E.; Matt, C. E.; Strocov, V. N.; Zhou, K. J.; Shi, M.; Mesot, J.; Schmitt, T.; Patthey, L.; Radović, M.

2017-08-01

The novel electronic properties emerging at interfaces between transition metal oxides, and in particular the discovery of conductivity in heterostructures composed of LaAlO3 (LAO) and SrTiO3 (STO) band insulators, have generated new challenges and opportunities in condensed matter physics. Although the interface conductivity is stabilized when LAO matches or exceeds a critical thickness of 4 unit cells (uc), other phenomena such as a universal metallic state found on the bare surface of STO single crystals and persistent photon-triggered conductivity in otherwise insulating STO-based interfaces raise important questions about the role of the LAO overlayer and the possible relations between vacuum/STO and LAO/STO interfaces. Here, using angle-resolved photoemission spectroscopy (ARPES) on in situ prepared samples complemented by resonant inelastic X-ray scattering (RIXS), we study how the metallic STO surface state evolves during the growth of a crystalline LAO overlayer. In all the studied samples, the character of the conduction bands, their carrier densities, the Ti3+ crystal field, and the response to photon irradiation bear strong similarities. Nevertheless, we report here that studied LAO/STO interfaces exhibit an instability toward an apparent 2 × 1 folding of the Fermi surface at and above a 4 uc thickness threshold, which distinguishes these heterostructures from bare STO and sub-critical-thickness LAO/STO.

Preparation of SmBCO layer for the surface optimization of GdYBCO film by MOCVD process based on a simple self-heating technology

NASA Astrophysics Data System (ADS)

Zhao, Ruipeng; Zhang, Fei; Liu, Qing; Xia, Yudong; Lu, Yuming; Cai, Chuanbing; Tao, Bowan; Li, Yanrong

2018-07-01

The MOCVD process was adopted to grow the REBa2Cu3O7-δ ((REBCO), RE = rare earth elements) films on the LaMnO3 (LMO) templates. Meanwhile, the LMO-template tapes are heated by the joule effect after applying a heating current through the Hastelloy metal substrates. The surface of GdYBCO films prepared by MOCVD method is prone to form outgrowths. So the surface morphology of GdYBCO film is optimized by depositing the SmBCO layer, which is an important process method for the preparation of high-quality multilayer REBCO films. At last, the GdYBCO/SmBCO/GdYBCO multilayer films were successfully prepared on the LMO templates based on the simple self-heating method. It is demonstrated that the GdYBCO surface was well improved by the characterization analysis of scanning electron microscope. And the Δω of REBCO (005) and Δφ of REBCO (103), which were performed by an X-ray diffraction system, are respectively 1.3° and 3.3° What's more, the critical current density (Jc) has been more than 3 MA/cm2 (77 K, 0 T) and the critical current (Ic) basically shows a trend of good linear increase with the increase of the number of REBCO layers.

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.

Guggenheim's rule and the enthalpy of vaporization of simple and polar fluids, molten salts, and room temperature ionic liquids.

PubMed

Weiss, Volker C

2010-07-22

One of Guggenheim's many corresponding-states rules for simple fluids implies that the molar enthalpy of vaporization (determined at the temperature at which the pressure reaches 1/50th of its critical value, which approximately coincides with the normal boiling point) divided by the critical temperature has a value of roughly 5.2R, where R is the universal gas constant. For more complex fluids, such as strongly polar and ionic fluids, one must expect deviations from Guggenheim's rule. Such a deviation has far-reaching consequences for other empirical rules related to the vaporization of fluids, namely Guldberg's rule and Trouton's rule. We evaluate these characteristic quantities for simple fluids, polar fluids, hydrogen-bonding fluids, simple inorganic molten salts, and room temperature ionic liquids (RTILs). For the ionic fluids, the critical parameters are not accessible to direct experimental observation; therefore, suitable extrapolation schemes have to be applied. For the RTILs [1-n-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imides, where the alkyl chain is ethyl, butyl, hexyl, or octyl], the critical temperature is estimated by extrapolating the surface tension to zero using Guggenheim's and Eotvos' rules; the critical density is obtained using the linear-diameter rule. It is shown that the RTILs adhere to Guggenheim's master curve for the reduced surface tension of simple and moderately polar fluids, but that they deviate significantly from his rule for the reduced enthalpy of vaporization of simple fluids. Consequences for evaluating the Trouton constant of RTILs, the value of which has been discussed controversially in the literature, are indicated.

Surface correlation effects in two-band strongly correlated slabs.

PubMed

Esfahani, D Nasr; Covaci, L; Peeters, F M

2014-02-19

Using an extension of the Gutzwiller approximation for an inhomogeneous system, we study the two-band Hubbard model with unequal band widths for a slab geometry. The aim is to investigate the mutual effect of individual bands on the spatial distribution of quasi-particle weight and charge density, especially near the surface of the slab. The main effect of the difference in band width is the presence of two different length scales corresponding to the quasi-particle profile of each band. This is enhanced in the vicinity of the critical interaction of the narrow band where an orbitally selective Mott transition occurs and a surface dead layer forms for the narrow band. For the doped case, two different regimes of charge transfer between the surface and the bulk of the slab are revealed. The charge transfer from surface/center to center/surface depends on both the doping level and the average relative charge accumulated in each band. Such effects could also be of importance when describing the accumulation of charges at the interface between structures made of multi-band strongly correlated materials.

Method of filtering a target compound from a first solvent that is above its critical density

DOEpatents

Phelps, Max R [Richland, WA; Yonker, Clement R [Kennewick, WA; Fulton, John L [Richland, WA; Bowman, Lawrence E [Richland, WA

2001-07-24

The present invention is a method of separating a first compound having a macromolecular structure from a mixture. The first solvent is a fluid that is a gas at standard temperature and pressure and is at a density greater than a critical density of the fluid. A macromolecular structure containing a first compound is dissolved therein as a mixture. The mixture is contacted onto a selective barrier and the first solvent passed through the selective barrier thereby retaining the first compound, followed by recovering the first compound. By using a fluid that is a gas at standard temperature and pressure at a density greater than its critical density, separation without depressurization is fast and efficient.

Creep stability of the proposed AIDA mission target 65803 Didymos: I. Discrete cohesionless granular physics model

NASA Astrophysics Data System (ADS)

Zhang, Yun; Richardson, Derek C.; Barnouin, Olivier S.; Maurel, Clara; Michel, Patrick; Schwartz, Stephen R.; Ballouz, Ronald-Louis; Benner, Lance A. M.; Naidu, Shantanu P.; Li, Junfeng

2017-09-01

As the target of the proposed Asteroid Impact & Deflection Assessment (AIDA) mission, the near-Earth binary asteroid 65803 Didymos represents a special class of binary asteroids, those whose primaries are at risk of rotational disruption. To gain a better understanding of these binary systems and to support the AIDA mission, this paper investigates the creep stability of the Didymos primary by representing it as a cohesionless self-gravitating granular aggregate subject to rotational acceleration. To achieve this goal, a soft-sphere discrete element model (SSDEM) capable of simulating granular systems in quasi-static states is implemented and a quasi-static spin-up procedure is carried out. We devise three critical spin limits for the simulated aggregates to indicate their critical states triggered by reshaping and surface shedding, internal structural deformation, and shear failure, respectively. The failure condition and mode, and shear strength of an aggregate can all be inferred from the three critical spin limits. The effects of arrangement and size distribution of constituent particles, bulk density, spin-up path, and interparticle friction are numerically explored. The results show that the shear strength of a spinning self-gravitating aggregate depends strongly on both its internal configuration and material parameters, while its failure mode and mechanism are mainly affected by its internal configuration. Additionally, this study provides some constraints on the possible physical properties of the Didymos primary based on observational data and proposes a plausible formation mechanism for this binary system. With a bulk density consistent with observational uncertainty and close to the maximum density allowed for the asteroid, the Didymos primary in certain configurations can remain geo-statically stable without requiring cohesion.

Doping effect of nano-Ho{sub 2}O{sub 3} and naphthalene in MgB{sub 2} superconductor prepared by powder-in-sealed-tube method

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

Hansdah, J. S.; Sarun, P. M., E-mail: sarun.res@gmail.com

2015-03-21

The effect on crystal structure, critical temperature (T{sub C}), and critical current density (J{sub C}) of bulk MgB{sub 2} doped with nano-Ho{sub 2}O{sub 3} and naphthalene was studied. Among all the samples studied, the sample doped with 2.5 wt. % nano-Ho{sub 2}O{sub 3} have shown the best field dependent critical current density [J{sub C}(H)], i.e., 0.77 × 10{sup 5 }A/cm{sup 2} at 2 T and 10 K. While naphthalene doped MgB{sub 2} sample has shown the least J{sub C}(H) characteristics. The improved J{sub C}(H) characteristics in the nano-Ho{sub 2}O{sub 3} doped MgB{sub 2} samples are attributed to improved flux pinning properties due to the formation ofmore » HoB{sub 4} and in naphthalene doped MgB{sub 2} samples. The slight lower T{sub C} value (37.01 K) in naphthalene doped samples is attributed to the occurrence of lattice defect by the substitution of carbon at boron site of MgB{sub 2} superconductor. Lower ΔT{sub C} value implies the lesser anisotropy in all the synthesized samples. The flux pinning force density (F{sub P}/F{sub Pmax}) curves are theoretically analyzed using Dew-Hughes model. The result revealed that point pinning is the dominant pinning mechanism for nano-Ho{sub 2}O{sub 3} doped MgB{sub 2} samples, while, surface and grain boundary pinning become dominant with increasing naphthalene addition in nano-Ho{sub 2}O{sub 3} doped MgB{sub 2} samples.« less

Electron-Hole Condensation in Semiconductors: Electrons and holes condense into freely moving liquid metallic droplets, a plasma phase with novel properties.

PubMed

Jeffries, C D

1975-09-19

In Ge and Si, and also in Ge-Si alloys (74), there is extensive evidence for the stable binding of electrons and holes into a cold plasma of constant density, which undergoes a phase separation. Liquid metallic drops 1 to 300 microm in size are formed, with lifetimes ranging from 0.1 to 600 microsec. For Ge a surprising amount is known: the phase diagram, the surface energy, the work function, the decay kinetics. Much less is known for Si. There is good agreement between theoretical and experimental values of the liquid density, the critical density, the critical temperature, and the binding energy. The stability of the liquid phase is strikingly dependent on band structure. The multivalley structure and mass anisotropy of Si, Ge, and Ge-Si, together with their indirect band gap, are no doubt responsible for the observed stability in these crystals. In the similar semiconductor gallium phosphide, drops have not yet been observed, most likely because the high impurity content traps the excitons. In gallium arsenide the existence of drops is controversial (75). Undoubtedly drops will be found to exist in other semiconductors, perhaps at even higher temperatures. This is an exciting field for the experimentalist; new phenomena are being rapidly discovered, usually before they are predicted. For the theorist, the electron-hole drop is of high intrinsic interest. It represents the first example of a quantum liquid of constant density in a periodic crystal lattice. A number of challenging experimental and theoretical problems remain.

Decomposition of Intermolecular Interactions in the Crystal Structure of Some Diacetyl Platinum(II) Complexes: Combined Hirshfeld, AIM, and NBO Analyses.

PubMed

Soliman, Saied M; Barakat, Assem

2016-12-06

Intermolecular interactions play a vital role in crystal structures. Therefore, we conducted a topological study, using Hirshfeld surfaces and atom in molecules (AIM) analysis, to decompose and analyze, respectively, the different intermolecular interactions in six hydrazone-diacetyl platinum(II) complexes. Using AIM and natural bond orbital (NBO) analyses, we determined the type, nature, and strength of the interactions. All the studied complexes contain C-H⋯O interactions, and the presence of bond critical points along the intermolecular paths underlines their significance. The electron densities (ρ(r)) at the bond critical points (0.0031-0.0156 e/a₀³) fall within the typical range for H-bonding interactions. Also, the positive values of the Laplacian of the electron density (∇²ρ(r)) revealed the depletion of electronic charge on the interatomic path, another characteristic feature of closed-shell interactions. The ratios of the absolute potential energy density to the kinetic energy density (| V (r)|/ G (r)) and ρ(r) are highest for the O2⋯H15-N3 interaction in [Pt(COMe)₂(2-pyCMe=NNH₂)] (1); hence, this interaction has the highest covalent character of all the O⋯H intermolecular interactions. Interestingly, in [Pt(COMe)₂(H₂NN=CMe-CMe=NNH₂)] (3), there are significant N-H⋯Pt interactions. Using the NBO method, the second-order interaction energies, E (2) , of these interactions range from 3.894 to 4.061 kJ/mol. Furthermore, the hybrid Pt orbitals involved in these interactions are comprised of d xy , d xz , and s atomic orbitals.

The distribution of the scattered laser light in laser-plate-target coupling

NASA Astrophysics Data System (ADS)

Xiao-bo, Nie; Tie-qiang, Chang; Dong-xian, Lai; Shen-ye, Liu; Zhi-jian, Zheng

1997-04-01

Theoretical and experimental studies of the angular distributions of scattered laser light in laser-Au-plate-target coupling are reported. A simple model that describes three-dimensional plasmas and scattered laser light is presented. The approximate shape of critical density surface has been given and the three-dimensional laser ray tracing is applied in the model. The theoretical results of the model are consistent with the experimental data for the scattered laser light in the polar angle range of 25° to 145° from the laser beam.

An analytically soluble problem in fully nonlinear statistical gravitational lensing

NASA Technical Reports Server (NTRS)

Schneider, P.

1987-01-01

The amplification probability distribution p(I)dI for a point source behind a random star field which acts as the deflector exhibits a I exp-3 behavior for large amplification, as can be shown from the universality of the lens equation near critical lines. In this paper it is shown that the amplitude of the I exp-3 tail can be derived exactly for arbitrary mass distribution of the stars, surface mass density of stars and smoothly distributed matter, and large-scale shear. This is then compared with the corresponding linear result.

Silver metal nano-matrixes as high efficiency and versatile catalytic reactors for environmental remediation

NASA Astrophysics Data System (ADS)

Dumée, Ludovic F.; Yi, Zhifeng; Tardy, Blaise; Merenda, Andrea; Des Ligneris, Elise; Dagastine, Ray R.; Kong, Lingxue

2017-03-01

Nano-porous metallic matrixes (NMMs) offer superior surface to volume ratios as well as enhanced optical, photonic, and electronic properties to bulk metallic materials. Such behaviours are correlated to the nano-scale inter-grain metal domains that favour the presence of electronic vacancies. In this work, continuous 3D NMMs were synthesized for the first time through a simple diffusion-reduction process whereby the aerogel matrix was functionalized with (3-Mercaptopropyl)trimethoxysilane. The surface energy of the silica monolith templates was tuned to improve the homogeneity of the reduction process while thiol functionalization facilitated the formation of a high density of seeding points for metal ions to reduce. The diameter of NMMs was between 2 and 1000 nm, corresponding to a silver loading between 1.23 and 41.16 at.%. A rates of catalytic degradation kinetics of these NMMS which is three orders of magnitude higher than those of the non-functionalized silver-silica structures. Furthermore, the enhancement in mechanical stability at nanoscale which was evaluated by Atomic Force Microscopy force measurements, electronic density and chemical inertness was assessed and critically correlated to their catalytic potential. This strategy opens up new avenues for design of complex architectures of either single or multi-metal alloy NMMs with enhanced surface properties for various applications.

Silver metal nano-matrixes as high efficiency and versatile catalytic reactors for environmental remediation

PubMed Central

Dumée, Ludovic F.; Yi, Zhifeng; Tardy, Blaise; Merenda, Andrea; des Ligneris, Elise; Dagastine, Ray R.; Kong, Lingxue

2017-01-01

Nano-porous metallic matrixes (NMMs) offer superior surface to volume ratios as well as enhanced optical, photonic, and electronic properties to bulk metallic materials. Such behaviours are correlated to the nano-scale inter-grain metal domains that favour the presence of electronic vacancies. In this work, continuous 3D NMMs were synthesized for the first time through a simple diffusion-reduction process whereby the aerogel matrix was functionalized with (3-Mercaptopropyl)trimethoxysilane. The surface energy of the silica monolith templates was tuned to improve the homogeneity of the reduction process while thiol functionalization facilitated the formation of a high density of seeding points for metal ions to reduce. The diameter of NMMs was between 2 and 1000 nm, corresponding to a silver loading between 1.23 and 41.16 at.%. A rates of catalytic degradation kinetics of these NMMS which is three orders of magnitude higher than those of the non-functionalized silver-silica structures. Furthermore, the enhancement in mechanical stability at nanoscale which was evaluated by Atomic Force Microscopy force measurements, electronic density and chemical inertness was assessed and critically correlated to their catalytic potential. This strategy opens up new avenues for design of complex architectures of either single or multi-metal alloy NMMs with enhanced surface properties for various applications. PMID:28332602

"First-principles" kinetic Monte Carlo simulations revisited: CO oxidation over RuO2 (110).

PubMed

Hess, Franziska; Farkas, Attila; Seitsonen, Ari P; Over, Herbert

2012-03-15

First principles-based kinetic Monte Carlo (kMC) simulations are performed for the CO oxidation on RuO(2) (110) under steady-state reaction conditions. The simulations include a set of elementary reaction steps with activation energies taken from three different ab initio density functional theory studies. Critical comparison of the simulation results reveals that already small variations in the activation energies lead to distinctly different reaction scenarios on the surface, even to the point where the dominating elementary reaction step is substituted by another one. For a critical assessment of the chosen energy parameters, it is not sufficient to compare kMC simulations only to experimental turnover frequency (TOF) as a function of the reactant feed ratio. More appropriate benchmarks for kMC simulations are the actual distribution of reactants on the catalyst's surface during steady-state reaction, as determined by in situ infrared spectroscopy and in situ scanning tunneling microscopy, and the temperature dependence of TOF in the from of Arrhenius plots. Copyright © 2012 Wiley Periodicals, Inc.

Enhanced interfacial deformation in a Marangoni flow: A measure of the dynamical surface tension

NASA Astrophysics Data System (ADS)

Leite Pinto, Rodrigo; Le Roux, Sébastien; Cantat, Isabelle; Saint-Jalmes, Arnaud

2018-02-01

We investigate the flows and deformations resulting from the deposition of a water soluble surfactant at a bare oil-water interface. Once the surfactant is deposited, we show that the oil-water interface is deformed with a water bump rising upward into the oil. For a given oil, the maximal deformation—located at the surfactant deposition point—decreases with the oil-layer thickness. We also observe a critical oil-layer thickness below which the deformation becomes as large as the oil layer, leading to the rupture of this layer and an oil-water dewetting. Experimentally, it is found that this critical thickness depends on the oil density and viscosity. We then provide an analytical modelization that explains quantitatively all these experimental features. In particular, our analysis allows us to derive an analytical relationship between the vertical profile of the oil-water interface and the in-plane surface tension profile. Therefore, we propose that the monitoring of the interface vertical shape can be used as a new spatially resolved tensiometry technique.

Strong and weak adsorptions of polyelectrolyte chains onto oppositely charged spheres

NASA Astrophysics Data System (ADS)

Cherstvy, A. G.; Winkler, R. G.

2006-08-01

We investigate the complexation of long thin polyelectrolyte (PE) chains with oppositely charged spheres. In the limit of strong adsorption, when strongly charged PE chains adapt a definite wrapped conformation on the sphere surface, we analytically solve the linear Poisson-Boltzmann equation and calculate the electrostatic potential and the energy of the complex. We discuss some biological applications of the obtained results. For weak adsorption, when a flexible weakly charged PE chain is localized next to the sphere in solution, we solve the Edwards equation for PE conformations in the Hulthén potential, which is used as an approximation for the screened Debye-Hückel potential of the sphere. We predict the critical conditions for PE adsorption. We find that the critical sphere charge density exhibits a distinctively different dependence on the Debye screening length than for PE adsorption onto a flat surface. We compare our findings with experimental measurements on complexation of various PEs with oppositely charged colloidal particles. We also present some numerical results of the coupled Poisson-Boltzmann and self-consistent field equation for PE adsorption in an assembly of oppositely charged spheres.

The Maximum Levitation Force of High- T c Superconductors

NASA Astrophysics Data System (ADS)

Zhao, Xian-Feng; Liu, Yuan

2007-11-01

In this paper we present the dependence of the maximum levitation force ( F {/z max }) of a high- T c superconductor (HTS) on the structural factors of high- T c superconducting systems based on the Bean critical state model and Ampère’s law. A transition point of the surface magnetic field ( B s ) of a permanent magnet (PM) is found at which the relation between F {/z max } and B s changes: while the surface magnetic field is less than the transition value the dependence is subject to a nonlinear function, otherwise it is a linear one. The two different relations are estimated to correspond to partial penetration of the shielding currents inside the superconductor below the transition point and complete penetration above it respectively. The influence of geometric properties of superconductors on the dependence is also investigated. In addition, the relation between F {/z max } and the critical current density ( J c ) of the HTS is discussed. The maximum levitation force saturates at high J c . An optimum function of the J c and the B s is presented in order to achieve large F {/z max }.

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.

Oxygen Vacancies in ZnO Nanosheets Enhance CO2 Electrochemical Reduction to CO.

PubMed

Geng, Zhigang; Kong, Xiangdong; Chen, Weiwei; Su, Hongyang; Liu, Yan; Cai, Fan; Wang, Guoxiong; Zeng, Jie

2018-05-22

As electron transfer to CO 2 is generally considered to be the critical step during the activation of CO 2 , it is important to develop approaches to engineer the electronic properties of catalysts to improve their performance in CO 2 electrochemical reduction. Herein, we developed an efficient strategy to facilitate CO 2 activation by introducing oxygen vacancies into electrocatalysts with electronic-rich surface. ZnO nanosheets rich in oxygen vacancies exhibited a current density of -16.1 mA cm -2 with a Faradaic efficiency of 83 % for CO production. Based on density functional theory (DFT) calculations, the introduction of oxygen vacancies increased the charge density of ZnO around the valence band maximum, resulting in the enhanced activation of CO 2 . Mechanistic studies further revealed that the enhancement of CO production by introducing oxygen vacancies into ZnO nanosheets originated from the increased binding strength of CO 2 and the eased CO 2 activation. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigation of mechanism of anode plasma formation in ion diode with dielectric anode

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

Pushkarev, A., E-mail: aipush@mail.ru

The results of investigation of the anode plasma formation in a diode with a passive anode in magnetic insulation mode are presented. The experiments have been conducted using the BIPPAB-450 ion accelerator (350–400 kV, 6–8 kA, 80 ns) with a focusing conical diode with B{sub r} external magnetic field (a barrel diode). For analysis of plasma formation at the anode and the distribution of the ions beam energy density, infrared imaging diagnostics (spatial resolution of 1–2 mm) is used. For analysis of the ion beam composition, time-of-flight diagnostics (temporal resolution of 1 ns) were used. Our studies have shown that when the magnetic induction inmore » the A-C gap is much larger than the critical value, the ion beam energy density is close to the one-dimensional Child-Langmuir limit on the entire working surface of the diode. Formation of anode plasma takes place only by the flashover of the dielectric anode surface. In this mode, the ion beam consists primarily of singly ionized carbon ions, and the delay of the start of formation of the anode plasma is 10–15 ns. By reducing the magnetic induction in the A-C gap to a value close to the critical one, the ion beam energy density is 3–6 times higher than that calculated by the one-dimensional Child-Langmuir limit, but the energy density of the ion beam is non-uniform in cross-section. In this mode, the anode plasma formation occurs due to ionization of the anode material with accelerated electrons. In this mode, also, the delay in the start of the formation of the anode plasma is much smaller and the degree of ionization of carbon ions is higher. In all modes occurred effective suppression of the electronic component of the total current, and the diode impedance was 20–30 times higher than the values calculated for the mode without magnetic insulation of the electrons. The divergence of the ion beam was 4.5°–6°.« less

Crystalline orientation engineering and charge transport in thin film YBa(2)Cu(3)O(7-x) superconducting surface-coated conductors

NASA Astrophysics Data System (ADS)

Chudzik, Michael Patrick

The weak-link behavior of grain boundaries in polycrystalline high-T c superconductors adversely affects the current density in these materials. The development of wire technology based on polycrystalline high-Tc materials requires understanding and controlling the development of low-angle grain boundaries in these conductors. The research goal is to comprehensively examine the methodology in fabrication and characterization to understand the structure-transport correlation in YBa2Cu3O 7-x (YBCO) surface-coated conductors. High current density YBCO coated conductors were fabricated and characterized as candidates for second generation high-Tc wire technology. Critical current densities (Jc) greater than 1 x 106 A/cm2 at 77 K and zero magnetic field were obtained using thin films epitaxially grown by metalorganic chemical vapor deposition (MOCVD) and pulsed laser deposition (PLD) on oriented buffer layers. The biaxially textured oxide buffer layers were deposited by ion-beam-assisted deposition (IBAD). The transport properties of coated conductors were evaluated in high magnetic fields for intrinsic and extrinsic flux vortex pinning effects for improved high-field properties. Transport Jc's of these coated conductors at 7 tesla (77 K) were measured at values greater than 105 A/cm 2 with the magnetic field perpendicular to the YBCO c-axis (B⊥ c) in both MOCVD and PLD derived conductors. The Jc's in B || c orientation fell an order of magnitude lower at 7 tesla to values near 10 4 A/cm2 due to decreased intrinsic flux pinning. The critical current densities as a function of grain boundary misorientation were found to deviate from the general trend determined for single grain boundary junctions, due to the mosaic structure, which allows meandering current flow. Extensive parametric investigations of relevant thin film growth techniques were utilized to establish growth-property relationships that led to optimized fabrication of high-Tc conductors. The work contained in this dissertation successfully addresses the challenge in engineering low-angle grain boundary polycrystalline conductors for high-current high-field applications and develops a structure-property correlation, which is essential for advancing this technology.

Proton acceleration by multi-terawatt interaction with a near-critical density hydrogen jet

NASA Astrophysics Data System (ADS)

Goers, Andy; Feder, Linus; Hine, George; Salehi, Fatholah; Woodbury, Daniel; Su, J. J.; Papadopoulos, Dennis; Zigler, Arie; Milchberg, Howard

2016-10-01

We investigate the high intensity laser interaction with thin, near critical density plasmas as a means of efficient acceleration of MeV protons. A promising mechanism is magnetic vortex acceleration, where the ponderomotive force of a tightly focused laser pulse drives a relativistic electron current which generates a strong azimuthal magnetic field. The rapid expansion of this azimuthal magnetic field at the back side of the target can accelerate plasma ions to MeV scale energies. Compared to typical ion acceleration experiments utilizing a laser- thin solid foil interaction, magnetic vortex acceleration in near critical density plasma may be realized in a high density gas jet, making it attractive for applications requiring high repetition rates. We present preliminary experiments studying laser-plasma interaction and proton acceleration in a thin (< 200 μm) near-critical density hydrogen gas jet delivering electron densities 1020 -1021 cm-3 . This research was funded by the United States Department of Energy and the Defense Advanced Research Projects Agency (DARPA) under Contract Number W911-NF-15-C-0217, issued by the Army Research Office.

Potential impacts of the Deepwater Horizon oil spill on large pelagic fishes

NASA Astrophysics Data System (ADS)

Frias-Torres, Sarrah; Bostater, Charles R., Jr.

2011-11-01

Biogeographical analyses provide insights on how the Deepwater Horizon oil spill impacted large pelagic fishes. We georeferenced historical ichthyoplankton surveys and published literature to map the spawning and larval areas of bluefin tuna, swordfish, blue marlin and whale shark sightings in the Gulf of Mexico with daily satellite-derived images detecting surface oil. The oil spill covered critical areas used by large pelagic fishes. Surface oil was detected in 100% of the northernmost whale shark sightings, in 32.8 % of the bluefin tuna spawning area and 38 % of the blue marlin larval area. No surface oil was detected in the swordfish spawning and larval area. Our study likely underestimates the extend of the oil spill due to satellite sensors detecting only the upper euphotic zone and the use of dispersants altering crude oil density, but provides a previously unknown spatio-temporal analysis.

Modeling Images of Natural 3D Surfaces: Overview and Potential Applications

NASA Technical Reports Server (NTRS)

Jalobeanu, Andre; Kuehnel, Frank; Stutz, John

2004-01-01

Generative models of natural images have long been used in computer vision. However, since they only describe the of 2D scenes, they fail to capture all the properties of the underlying 3D world. Even though such models are sufficient for many vision tasks a 3D scene model is when it comes to inferring a 3D object or its characteristics. In this paper, we present such a generative model, incorporating both a multiscale surface prior model for surface geometry and reflectance, and an image formation process model based on realistic rendering, the computation of the posterior model parameter densities, and on the critical aspects of the rendering. We also how to efficiently invert the model within a Bayesian framework. We present a few potential applications, such as asteroid modeling and Planetary topography recovery, illustrated by promising results on real images.

Quantitative Subsurface Atomic Structure Fingerprint for 2D Materials and Heterostructures by First-Principles-Calibrated Contact-Resonance Atomic Force Microscopy.

PubMed

Tu, Qing; Lange, Björn; Parlak, Zehra; Lopes, Joao Marcelo J; Blum, Volker; Zauscher, Stefan

2016-07-26

Interfaces and subsurface layers are critical for the performance of devices made of 2D materials and heterostructures. Facile, nondestructive, and quantitative ways to characterize the structure of atomically thin, layered materials are thus essential to ensure control of the resultant properties. Here, we show that contact-resonance atomic force microscopy-which is exquisitely sensitive to stiffness changes that arise from even a single atomic layer of a van der Waals-adhered material-is a powerful experimental tool to address this challenge. A combined density functional theory and continuum modeling approach is introduced that yields sub-surface-sensitive, nanomechanical fingerprints associated with specific, well-defined structure models of individual surface domains. Where such models are known, this information can be correlated with experimentally obtained contact-resonance frequency maps to reveal the (sub)surface structure of different domains on the sample.

van der Waals model for the surface tension of liquid 4He near the λ point

NASA Astrophysics Data System (ADS)

Tavan, Paul; Widom, B.

1983-01-01

We develop a phenomenological model of the 4He liquid-vapor interface. With it we calculate the surface tension of liquid helium near the λ point and compare with the experimental measurements by Magerlein and Sanders. The model is a form of the van der Waals surface-tension theory, extended to apply to a phase equilibrium in which the simultaneous variation of two order parameters-here the superfluid order parameter and the total density-is essential. The properties of the model are derived analytically above the λ point and numerically below it. Just below the λ point the superfluid order parameter is found to approach its bulk-superfluid-phase value very slowly with distance on the liquid side of the interface (the characteristic distance being the superfluid coherence length), and to vanish rapidly with distance on the vapor side, while the total density approaches its bulk-phase values rapidly and nearly symmetrically on the two sides. Below the λ point the surface tension has a |ɛ|32 singularity (ɛ~T-Tλ) arising from the temperature dependence of the spatially varying superfluid order parameter. This is the mean-field form of the more general |ɛ|μ singularity predicted by Sobyanin and by Hohenberg, in which μ (which is in reality close to 1.35 at the λ point of helium) is the exponent with which the interfacial tension between two critical phases vanishes. Above the λ point the surface tension in this model is analytic in ɛ. A singular term |ɛ|μ may in reality be present in the surface tension above as well as below the λ point, although there should still be a pronounced asymmetry. The variation with temperature of the model surface tension is overall much like that in experiment.

Gas-phase surface esterification of cellulose microfibrils and whiskers.

PubMed

Berlioz, Sophie; Molina-Boisseau, Sonia; Nishiyama, Yoshiharu; Heux, Laurent

2009-08-10

A new and highly efficient synthetic method has been developed for the surface esterification of model cellulosic substrates of high crystallinity and accessibility, namely, freeze-dried tunicin whiskers and bacterial cellulose microfibrils dried by the critical point method. The reaction, which is based on the gas-phase action of palmitoyl chloride, was monitored by solid-state CP-MAS (13)C NMR. It was found that the grafting density not only depended on the experimental conditions, but also on the nature and conditioning of the cellulose samples. The structural and morphological modifications of the substrates at various degrees of grafting were revealed by scanning electron microscopy and X-ray diffraction analysis. These characterizations indicated that the esterification proceeded from the surface of the substrate to their crystalline core. Hence, for moderate degree of substitution, the surface was fully grafted whereas the cellulose core remained unmodified and the original fibrous morphology maintained. An almost total esterification could be achieved under certain conditions, leading to highly substituted cellulose esters, presenting characteristic X-ray diffraction patterns.

A Geophysical Flow Experiment in a Compressible Critical Fluid

NASA Technical Reports Server (NTRS)

Hegseth, John; Garcia, Laudelino

1996-01-01

The first objective of this experiment is to build an experimental system in which, in analogy to a geophysical system, a compressible fluid in a spherical annulus becomes radially stratified in density through an A.C. electric field. When this density gradient is demonstrated, the system will be augmented so that the fluid can be driven by heating and rotation and tested in preparation for a microgravity experiment. This apparatus consists of a spherical capacitor filled with critical fluid in a temperature controlled environment. To make the fluid critical, the apparatus will be operated near the critical pressure, critical density, and critical temperature of the fluid. This will result in a highly compressible fluid because of the properties of the fluid near its critical point. A high voltage A.C. source applied across the capacitor will create a spherically symmetric central force because of the dielectric properties of the fluid in an electric field gradient. This central force will induce a spherically symmetric density gradient that is analogous to a geophysical fluid system. To generate such a density gradient the system must be small (approx. 1 inch diameter). This small cell will also be capable of driving the critical fluid by heating and rotation. Since a spherically symmetric density gradient can only be made in microgravity, another small cell, of the same geometry, will be built that uses incompressible fluid. The driving of the fluid by rotation and heating in these small cells will be developed. The resulting instabilities from the driving in these two systems will then be studied. The second objective is to study the pattern forming instabilities (bifurcations) resulting from the well controlled experimental conditions in the critical fluid cell. This experiment will come close to producing conditions that are geophysically similar and will be studied as the driving parameters are changed.

A high-fidelity approach towards simulation of pool boiling

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

Yazdani, Miad; Radcliff, Thomas; Soteriou, Marios

2016-01-15

A novel numerical approach is developed to simulate the multiscale problem of pool-boiling phase change. The particular focus is to develop a simulation technique that is capable of predicting the heat transfer and hydrodynamic characteristics of nucleate boiling and the transition to critical heat flux on surfaces of arbitrary shape and roughness distribution addressing a critical need to design enhanced boiling heat transfer surfaces. The macro-scale of the phase change and bubble dynamics is addressed through employing off-the-shelf Computational Fluid Dynamics (CFD) methods for interface tracking and interphase mass and energy transfer. The micro-scale of the microlayer, which forms atmore » early stage of bubble nucleation near the wall, is resolved through asymptotic approximation of the thin-film theory which provides a closed-form solution for the distribution of the micro-layer and its influence on the evaporation process. In addition, the sub-grid surface roughness is represented stochastically through probabilistic density functions and its role in bubble nucleation and growth is then represented based on the thermodynamics of nucleation process. This combination of deterministic CFD, local approximation, and stochastic representation allows the simulation of pool boiling on any surface with known roughness and enhancement characteristics. The numerical model is validated for dynamics and hydrothermal characteristics of a single nucleated bubble on a flat surface against available literature data. In addition, the prediction of pool-boiling heat transfer coefficient is verified against experimental measurements as well as reputable correlations for various roughness distributions and different surface orientations. Finally, the model is employed to demonstrate pool-boiling phenomenon on enhanced structures with reentrance cavities and to explore the effect of enhancement feature design on thermal and hydrodynamic characteristics of these surfaces.« less

Use of surfactants to control island size and density

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

Merrell, Jason; Liu, Feng; Stringfellow, Gerald B.

Methods of controlling island size and density on an OMVPE growth film may comprise adding a surfactant at a critical concentration level, allowing a growth phase for a first period of time, and ending the growth phase when desired island size and density are achieved. For example, the island size and density of an OMVPE grown InGaN thin film may be controlled by adding an antimony surfactant at a critical concentration level.

Superconductivity in CaBi 2

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

Winiarski, M. J.; Wiendlocha, B.; Golba, S.

We observed superconductivity with critical temperature T c = 2.0 K in self-flux-grown single crystals of CaBi 2. This material adopts the ZrSi 2 structure type with lattice parameters a = 4.696(1) Å, b = 17.081(2) Å and c = 4.611(1) Å. The crystals of CaBi 2 were studied by means of magnetic susceptibility, specific heat and electrical resistivity measurements. The heat capacity jump at T c is ΔC/γT c = 1.41, confirming bulk superconductivity; the Sommerfeld coefficient γ = 4.1 mJ mol -1 K -2 and the Debye temperature Θ D = 157 K. The electron–phonon coupling strength ismore » λ el–ph = 0.59, and the thermodynamic critical field H c is low, between 111 and 124 Oe CaBi 2 is a moderate coupling type-I superconductor. Our results of electronic structure calculations are reported and charge densities, electronic bands, densities of states and Fermi surfaces are discussed, focusing on the effects of spin–orbit coupling and electronic property anisotropy. Furthermore, we find a mixed quasi-2D + 3D character in the electronic structure, which reflects the layered crystal structure of the material.« less

Superconductivity in CaBi 2

DOE PAGES

Winiarski, M. J.; Wiendlocha, B.; Golba, S.; ...

2016-07-12

We observed superconductivity with critical temperature T c = 2.0 K in self-flux-grown single crystals of CaBi 2. This material adopts the ZrSi 2 structure type with lattice parameters a = 4.696(1) Å, b = 17.081(2) Å and c = 4.611(1) Å. The crystals of CaBi 2 were studied by means of magnetic susceptibility, specific heat and electrical resistivity measurements. The heat capacity jump at T c is ΔC/γT c = 1.41, confirming bulk superconductivity; the Sommerfeld coefficient γ = 4.1 mJ mol -1 K -2 and the Debye temperature Θ D = 157 K. The electron–phonon coupling strength ismore » λ el–ph = 0.59, and the thermodynamic critical field H c is low, between 111 and 124 Oe CaBi 2 is a moderate coupling type-I superconductor. Our results of electronic structure calculations are reported and charge densities, electronic bands, densities of states and Fermi surfaces are discussed, focusing on the effects of spin–orbit coupling and electronic property anisotropy. Furthermore, we find a mixed quasi-2D + 3D character in the electronic structure, which reflects the layered crystal structure of the material.« less

A critical evaluation of theories for predicting microcracking in composite laminates

NASA Technical Reports Server (NTRS)

Nairn, John A.; Hu, Shoufeng; Bark, Jong S.

1993-01-01

We present experimental results on 21 different layups of Hercules AS4 carbon fiber/3501-6 epoxy laminates. All laminates had 90 deg plies; some had them in the middle, while some had them on a free surface. During tensile loading, the first form of damage in all laminates was microcracking of the 90 deg plies. For each laminate, we recorded both the crack density and the complete distribution of crack spacings as a function of the applied load. By rearranging various microcracking theories, we developed a master-curve approach that permitted plotting the results from all laminates on a single plot. By comparing master-curve plots for different theories, it was possible to critically evaluate the quality of those theories. We found that a critical-energy-release-rate criterion calculated using a 2D variational stress analysis gave the best results. All microcracking theories based on a strength-failure criteria gave poor results. All microcracking theories using 1D stress analyses, regardless of the failure criterion, also gave poor results.

Integrated geophysical study to understand the architecture of the deep critical zone in the Luquillo Critical Zone Observatory (Puerto Rico

NASA Astrophysics Data System (ADS)

Comas, X.; Wright, W. J.; Hynek, S. A.; Ntarlagiannis, D.; Terry, N.; Whiting, F.; Job, M. J.; Brantley, S. L.; Fletcher, R. C.

2016-12-01

The Luquillo Critical Zone Observatory (CZO) in Puerto Rico is characterized by a complex system of heterogeneous fractures that participate in the formation of corestones, and influence the development of a regolith by the alteration of the bedrock at very rapid weathering rates. The spatial distribution of fractures, and its influence on regolith thickness is, however, currently not well understood. In this study, we used an array of near-surface geophysical methods, including ground penetrating radar, terrain conductivity, electrical resistivity imaging and induced polarization, OhmMapper, and shallow seismic, constrained with direct methods from previous studies. These methods were combined with stress modeling to better understand: 1) changes in regolith thickness; and 2) variation of the spatial distribution and density of fractures with topography and proximity to the knickpoint. Our observations show the potential of geophysical methods for imaging variability in regolith thickness, and agree with the result of a stress model showing increased dilation of fractures with proximity to the knickpoint.

Engineering Surface Critical Behavior of (2 +1 )-Dimensional O(3) Quantum Critical Points

NASA Astrophysics Data System (ADS)

Ding, Chengxiang; Zhang, Long; Guo, Wenan

2018-06-01

Surface critical behavior (SCB) refers to the singularities of physical quantities on the surface at the bulk phase transition. It is closely related to and even richer than the bulk critical behavior. In this work, we show that three types of SCB universality are realized in the dimerized Heisenberg models at the (2 +1 )-dimensional O(3) quantum critical points by engineering the surface configurations. The ordinary transition happens if the surface is gapped in the bulk disordered phase, while the gapless surface state generally leads to the multicritical special transition, even though the latter is precluded in classical phase transitions because the surface is in the lower critical dimension. An extraordinary transition is induced by the ferrimagnetic order on the surface of the staggered Heisenberg model, in which the surface critical exponents violate the results of the scaling theory and thus seriously challenge our current understanding of extraordinary transitions.

Development and validation of a critical gradient energetic particle driven Alfven eigenmode transport model for DIII-D tilted neutral beam experiments

NASA Astrophysics Data System (ADS)

Waltz, R. E.; Bass, E. M.; Heidbrink, W. W.; VanZeeland, M. A.

2015-11-01

Recent experiments with the DIII-D tilted neutral beam injection (NBI) varying the beam energetic particle (EP) source profiles have provided strong evidence that unstable Alfven eigenmodes (AE) drive stiff EP transport at a critical EP density gradient [Heidbrink et al 2013 Nucl. Fusion 53 093006]. Here the critical gradient is identified by the local AE growth rate being equal to the local ITG/TEM growth rate at the same low toroidal mode number. The growth rates are taken from the gyrokinetic code GYRO. Simulation show that the slowing down beam-like EP distribution has a slightly lower critical gradient than the Maxwellian. The ALPHA EP density transport code [Waltz and Bass 2014 Nucl. Fusion 54 104006], used to validate the model, combines the low-n stiff EP critical density gradient AE mid-core transport with the Angioni et al (2009 Nucl. Fusion 49 055013) energy independent high-n ITG/TEM density transport model controling the central core EP density profile. For the on-axis NBI heated DIII-D shot 146102, while the net loss to the edge is small, about half the birth fast ions are transported from the central core r/a  <  0.5 and the central density is about half the slowing down density. These results are in good agreement with experimental fast ion pressure profiles inferred from MSE constrained EFIT equilibria.

A local leaky-box model for the local stellar surface density-gas surface density-gas phase metallicity relation

NASA Astrophysics Data System (ADS)

Zhu, Guangtun Ben; Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Yan, Renbin; Brinkmann, Jonathan

2017-07-01

We revisit the relation between the stellar surface density, the gas surface density and the gas-phase metallicity of typical disc galaxies in the local Universe with the SDSS-IV/MaNGA survey, using the star formation rate surface density as an indicator for the gas surface density. We show that these three local parameters form a tight relationship, confirming previous works (e.g. by the PINGS and CALIFA surveys), but with a larger sample. We present a new local leaky-box model, assuming star-formation history and chemical evolution is localized except for outflowing materials. We derive closed-form solutions for the evolution of stellar surface density, gas surface density and gas-phase metallicity, and show that these parameters form a tight relation independent of initial gas density and time. We show that, with canonical values of model parameters, this predicted relation match the observed one well. In addition, we briefly describe a pathway to improving the current semi-analytic models of galaxy formation by incorporating the local leaky-box model in the cosmological context, which can potentially explain simultaneously multiple properties of Milky Way-type disc galaxies, such as the size growth and the global stellar mass-gas metallicity relation.

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.

The exact solution of the monoenergetic transport equation for critical cylinders

NASA Technical Reports Server (NTRS)

Westfall, R. M.; Metcalf, D. R.

1972-01-01

An analytic solution for the critical, monoenergetic, bare, infinite cylinder is presented. The solution is obtained by modifying a previous development based on a neutron density transform and Case's singular eigenfunction method. Numerical results for critical radii and the neutron density as a function of position are included and compared with the results of other methods.

Mapping Hydrophobicity on the Protein Molecular Surface at Atom-Level Resolution

PubMed Central

Nicolau Jr., Dan V.; Paszek, Ewa; Fulga, Florin; Nicolau, Dan V.

2014-01-01

A precise representation of the spatial distribution of hydrophobicity, hydrophilicity and charges on the molecular surface of proteins is critical for the understanding of the interaction with small molecules and larger systems. The representation of hydrophobicity is rarely done at atom-level, as this property is generally assigned to residues. A new methodology for the derivation of atomic hydrophobicity from any amino acid-based hydrophobicity scale was used to derive 8 sets of atomic hydrophobicities, one of which was used to generate the molecular surfaces for 35 proteins with convex structures, 5 of which, i.e., lysozyme, ribonuclease, hemoglobin, albumin and IgG, have been analyzed in more detail. Sets of the molecular surfaces of the model proteins have been constructed using spherical probes with increasingly large radii, from 1.4 to 20 Å, followed by the quantification of (i) the surface hydrophobicity; (ii) their respective molecular surface areas, i.e., total, hydrophilic and hydrophobic area; and (iii) their relative densities, i.e., divided by the total molecular area; or specific densities, i.e., divided by property-specific area. Compared with the amino acid-based formalism, the atom-level description reveals molecular surfaces which (i) present an approximately two times more hydrophilic areas; with (ii) less extended, but between 2 to 5 times more intense hydrophilic patches; and (iii) 3 to 20 times more extended hydrophobic areas. The hydrophobic areas are also approximately 2 times more hydrophobicity-intense. This, more pronounced “leopard skin”-like, design of the protein molecular surface has been confirmed by comparing the results for a restricted set of homologous proteins, i.e., hemoglobins diverging by only one residue (Trp37). These results suggest that the representation of hydrophobicity on the protein molecular surfaces at atom-level resolution, coupled with the probing of the molecular surface at different geometric resolutions, can capture processes that are otherwise obscured to the amino acid-based formalism. PMID:25462574

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.

Modulation of Protein Fouling and Interfacial Properties at Carbon Surfaces via Immobilization of Glycans Using Aryldiazonium Chemistry

PubMed Central

Zen, Federico; Angione, M. Daniela; Behan, James A.; Cullen, Ronan J.; Duff, Thomas; Vasconcelos, Joana M.; Scanlan, Eoin M.; Colavita, Paula E.

2016-01-01

Carbon materials and nanomaterials are of great interest for biological applications such as implantable devices and nanoparticle vectors, however, to realize their potential it is critical to control formation and composition of the protein corona in biological media. In this work, protein adsorption studies were carried out at carbon surfaces functionalized with aryldiazonium layers bearing mono- and di-saccharide glycosides. Surface IR reflectance absorption spectroscopy and quartz crystal microbalance were used to study adsorption of albumin, lysozyme and fibrinogen. Protein adsorption was found to decrease by 30–90% with respect to bare carbon surfaces; notably, enhanced rejection was observed in the case of the tested di-saccharide vs. simple mono-saccharides for near-physiological protein concentration values. ζ-potential measurements revealed that aryldiazonium chemistry results in the immobilization of phenylglycosides without a change in surface charge density, which is known to be important for protein adsorption. Multisolvent contact angle measurements were used to calculate surface free energy and acid-base polar components of bare and modified surfaces based on the van Oss-Chaudhury-Good model: results indicate that protein resistance in these phenylglycoside layers correlates positively with wetting behavior and Lewis basicity. PMID:27108562

Modulation of Protein Fouling and Interfacial Properties at Carbon Surfaces via Immobilization of Glycans Using Aryldiazonium Chemistry

NASA Astrophysics Data System (ADS)

Zen, Federico; Angione, M. Daniela; Behan, James A.; Cullen, Ronan J.; Duff, Thomas; Vasconcelos, Joana M.; Scanlan, Eoin M.; Colavita, Paula E.

2016-04-01

Carbon materials and nanomaterials are of great interest for biological applications such as implantable devices and nanoparticle vectors, however, to realize their potential it is critical to control formation and composition of the protein corona in biological media. In this work, protein adsorption studies were carried out at carbon surfaces functionalized with aryldiazonium layers bearing mono- and di-saccharide glycosides. Surface IR reflectance absorption spectroscopy and quartz crystal microbalance were used to study adsorption of albumin, lysozyme and fibrinogen. Protein adsorption was found to decrease by 30-90% with respect to bare carbon surfaces; notably, enhanced rejection was observed in the case of the tested di-saccharide vs. simple mono-saccharides for near-physiological protein concentration values. ζ-potential measurements revealed that aryldiazonium chemistry results in the immobilization of phenylglycosides without a change in surface charge density, which is known to be important for protein adsorption. Multisolvent contact angle measurements were used to calculate surface free energy and acid-base polar components of bare and modified surfaces based on the van Oss-Chaudhury-Good model: results indicate that protein resistance in these phenylglycoside layers correlates positively with wetting behavior and Lewis basicity.

Critic: a new program for the topological analysis of solid-state electron densities

NASA Astrophysics Data System (ADS)

Otero-de-la-Roza, A.; Blanco, M. A.; Pendás, A. Martín; Luaña, Víctor

2009-01-01

In this paper we introduce CRITIC, a new program for the topological analysis of the electron densities of crystalline solids. Two different versions of the code are provided, one adapted to the LAPW (Linear Augmented Plane Wave) density calculated by the WIEN2K package and the other to the ab initio Perturbed Ion ( aiPI) density calculated with the PI7 code. Using the converged ground state densities, CRITIC can locate their critical points, determine atomic basins and integrate properties within them, and generate several graphical representations which include topological atomic basins and primary bundles, contour maps of ρ and ∇ρ, vector maps of ∇ρ, chemical graphs, etc. Program summaryProgram title: CRITIC Catalogue identifier: AECB_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECB_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL, version 3 No. of lines in distributed program, including test data, etc.: 1 206 843 No. of bytes in distributed program, including test data, etc.: 12 648 065 Distribution format: tar.gz Programming language: FORTRAN 77 and 90 Computer: Any computer capable of compiling Fortran Operating system: Unix, GNU/Linux Classification: 7.3 Nature of problem: Topological analysis of the electron density in periodic solids. Solution method: The automatic localization of the electron density critical points is based on a recursive partitioning of the Wigner-Seitz cell into tetrahedra followed by a Newton search from significant points on each tetrahedra. Plotting of and integration on the atomic basins is currently based on a new implementation of Keith's promega algorithm. Running time: Variable, depending on the task. From seconds to a few minutes for the localization of critical points. Hours to days for the determination of the atomic basins shape and properties. Times correspond to a typical 2007 PC.

Geometric modeling of space-optimal unit-cell-based tissue engineering scaffolds

NASA Astrophysics Data System (ADS)

Rajagopalan, Srinivasan; Lu, Lichun; Yaszemski, Michael J.; Robb, Richard A.

2005-04-01

Tissue engineering involves regenerating damaged or malfunctioning organs using cells, biomolecules, and synthetic or natural scaffolds. Based on their intended roles, scaffolds can be injected as space-fillers or be preformed and implanted to provide mechanical support. Preformed scaffolds are biomimetic "trellis-like" structures which, on implantation and integration, act as tissue/organ surrogates. Customized, computer controlled, and reproducible preformed scaffolds can be fabricated using Computer Aided Design (CAD) techniques and rapid prototyping devices. A curved, monolithic construct with minimal surface area constitutes an efficient substrate geometry that promotes cell attachment, migration and proliferation. However, current CAD approaches do not provide such a biomorphic construct. We address this critical issue by presenting one of the very first physical realizations of minimal surfaces towards the construction of efficient unit-cell based tissue engineering scaffolds. Mask programmability, and optimal packing density of triply periodic minimal surfaces are used to construct the optimal pore geometry. Budgeted polygonization, and progressive minimal surface refinement facilitate the machinability of these surfaces. The efficient stress distributions, as deduced from the Finite Element simulations, favor the use of these scaffolds for orthopedic applications.

Free surfaces recast superconductivity in few-monolayer MgB2: Combined first-principles and ARPES demonstration.

PubMed

Bekaert, J; Bignardi, L; Aperis, A; van Abswoude, P; Mattevi, C; Gorovikov, S; Petaccia, L; Goldoni, A; Partoens, B; Oppeneer, P M; Peeters, F M; Milošević, M V; Rudolf, P; Cepek, C

2017-10-31

Two-dimensional materials are known to harbour properties very different from those of their bulk counterparts. Recent years have seen the rise of atomically thin superconductors, with a caveat that superconductivity is strongly depleted unless enhanced by specific substrates, intercalants or adatoms. Surprisingly, the role in superconductivity of electronic states originating from simple free surfaces of two-dimensional materials has remained elusive to date. Here, based on first-principles calculations, anisotropic Eliashberg theory, and angle-resolved photoemission spectroscopy (ARPES), we show that surface states in few-monolayer MgB 2 make a major contribution to the superconducting gap spectrum and density of states, clearly distinct from the widely known, bulk-like σ- and π-gaps. As a proof of principle, we predict and measure the gap opening on the magnesium-based surface band up to a critical temperature as high as ~30 K for merely six monolayers thick MgB 2 . These findings establish free surfaces as an unavoidable ingredient in understanding and further tailoring of superconductivity in atomically thin materials.

Constraints on Exposure Ages of Lunar and Asteroidal Regolith Particles

NASA Technical Reports Server (NTRS)

Berger, Eve L.; Keller, Lindsay P

2014-01-01

Mineral grains in lunar and asteroidal regolith samples provide a unique record of their interaction with the space environment. Exposure to the solar wind results in implantation effects that are preserved in the rims of grains (typically the outermost 100 nm), while impact processes result in the accumulation of vapor-deposited elements, impact melts and adhering grains on particle surfaces. These processes are collectively referred to as space weathering. A critical element in the study of these processes is to determine the rate at which these effects accumulate in the grains during their space exposure. For small particulate samples, one can use the density of solar flare particle tracks to infer the length of time the particle was at the regolith surface (i.e., its exposure age). We have developed a new technique that enables more accurate determination of solar flare particle track densities in mineral grains <50 micron in size that utilizes focused ion beam (FIB) sample preparation combined with transmission electron microscopy (TEM) imaging. We have applied this technique to lunar soil grains from the Apollo 16 site (soil 64501) and most recently to samples from asteroid 25143 Itokawa returned by the Hayabusa mission. Our preliminary results show that the Hayabusa grains have shorter exposure ages compared to typical lunar soil grains. We will use these techniques to re-examine the track density-exposure age calibration from lunar samples reported by Blanford et al. (1975).

Surface passivation of p-type Ge substrate with high-quality GeNx layer formed by electron-cyclotron-resonance plasma nitridation at low temperature

NASA Astrophysics Data System (ADS)

Fukuda, Yukio; Okamoto, Hiroshi; Iwasaki, Takuro; Otani, Yohei; Ono, Toshiro

2011-09-01

We have investigated the effects of the formation temperature and postmetallization annealing (PMA) on the interface properties of GeNx/p-Ge fabricated by the plasma nitridation of Ge substrates using an electron-cyclotron-resonance-generated nitrogen plasma. The nitridation temperature is found to be a critical parameter in improving the finally obtained GeNx/Ge interface properties. The GeNx/Ge formed at room temperature and treated by PMA at 400 °C exhibits the best interface properties with an interface trap density of 1 × 1011 cm-2 eV-1. The GeNx/Ge interface is unpinned and the Fermi level at the Ge surface can move from the valence band edge to the conduction band edge.

Curvature induced phase stability of an intensely heated liquid

NASA Astrophysics Data System (ADS)

Sasikumar, Kiran; Liang, Zhi; Cahill, David G.; Keblinski, Pawel

2014-06-01

We use non-equilibrium molecular dynamics simulations to study the heat transfer around intensely heated solid nanoparticles immersed in a model Lennard-Jones fluid. We focus our studies on the role of the nanoparticle curvature on the liquid phase stability under steady-state heating. For small nanoparticles we observe a stable liquid phase near the nanoparticle surface, which can be at a temperature well above the boiling point. Furthermore, for particles with radius smaller than a critical radius of 2 nm we do not observe formation of vapor even above the critical temperature. Instead, we report the existence of a stable fluid region with a density much larger than that of the vapor phase. We explain the stability in terms of the Laplace pressure associated with the formation of a vapor nanocavity and the associated effect on the Gibbs free energy.

Critical detonation thickness in vapor-deposited hexanitroazobenzene (HNAB) films with different preparation conditions

NASA Astrophysics Data System (ADS)

Tappan, Alexander; Knepper, Robert; Marquez, Michael; Ball, J.; Miller, Jill

2013-06-01

At Sandia National Laboratories, we have coined the term ``microenergetics'' to describe sub-millimeter energetic material studies aimed at gaining knowledge of combustion and detonation behavior at the mesoscale. Films of the high explosive hexanitroazobenzene (HNAB) have been deposited through physical vapor deposition. HNAB deposits in an amorphous state that crystallizes over time and modest heating accelerates this crystallization. HNAB films were prepared under different crystallization temperatures, and characterized with surface profilometry and scanning electron microscopy. The critical detonation thickness for HNAB at different crystallization conditions was determined in a configuration where charge width was large compared to film thickness, and thus side losses did not play a role in detonation propagation. The results of these experiments will be discussed in the context of small sample geometry, deposited film morphology, crystal structure, and density.

Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2 H - TaS 2

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

Zhao, J.; Wijayaratne, K.; Butler, A.

We report an in-depth angle-resolved photoemission spectroscopy study on 2H-TaS2, a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2H-TaSe2 and 2H-NbSe2, the energy gap (triangle(CDW)) of 2H-TaS2 is localized along the K-centered Fermi surface barrels and is particle-hole asymmetric. The persistence of triangle(CDW) even at temperatures higher than the CDW transition temperature T-CDW in 2H-TaS2, reflects the similar pseudogap behavior observed previously in 2H-TaSe2 and 2H-NbSe2. However, in sharp contrast to 2H-NbSe2, where triangle(CDW) is nonzero only in the vicinity of a few "hot spots" on the innerK-centered Fermimore » surface barrels, triangle(CDW) in 2H-TaS2 is nonzero along the entirety of both K-centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of triangle(CDW) between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.« less

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.

RAPID COMMUNICATION: Effect of strain, magnetic field and field angle on the critical current density of Y Ba2Cu3O7-δ coated conductors

NASA Astrophysics Data System (ADS)

van der Laan, D. C.; Ekin, J. W.; Douglas, J. F.; Clickner, C. C.; Stauffer, T. C.; Goodrich, L. F.

2010-07-01

A large, magnetic-field-dependent, reversible reduction in critical current density with axial strain in Y Ba2Cu3O7-δ coated conductors at 75.9 K has been measured. This effect may have important implications for the performance of Y Ba2Cu3O7-δ coated conductors in applications where the conductor experiences large stresses in the presence of a magnetic field. Previous studies have been performed only under tensile strain and could provide only a limited understanding of the in-field strain effect. We now have constructed a device for measuring the critical current density as a function of axial compressive and tensile strain and applied magnetic field as well as magnetic field angle, in order to determine the magnitude of this effect and to create a better understanding of its origin. The reversible reduction in critical current density with strain becomes larger with increasing magnetic field at all field angles. At 76 K the critical current density is reduced by about 30% at - 0.5% strain when a magnetic field of 5 T is applied parallel to the c-axis of the conductor or 8 T is applied in the ab-plane, compared to a reduction of only 13% in self-field. Differences in the strain response of the critical current density at various magnetic field angles indicate that the pinning mechanisms in Y Ba2Cu3O7-δ coated conductors are uniquely affected by strain. Contribution of NIST, not subject to US copyright.

Theory of flux cutting and flux transport at the critical current of a type-II superconducting cylindrical wire

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

Clem, John R

2011-02-17

I introduce a critical-state theory incorporating both flux cutting and flux transport to calculate the magnetic-field and current-density distributions inside a type-II superconducting cylinder at its critical current in a longitudinal applied magnetic field. The theory is an extension of the elliptic critical-state model introduced by Romero-Salazar and Pérez-Rodríguez. The vortex dynamics depend in detail on two nonlinear effective resistivities for flux cutting (ρ{sub ∥}) and flux flow (ρ{sub ⊥}), and their ratio r=ρ{sub ∥}/ρ{sub ⊥}. When r<1, the low relative efficiency of flux cutting in reducing the magnitude of the internal magnetic-flux density leads to a paramagnetic longitudinal magneticmore » moment. As a model for understanding the experimentally observed interrelationship between the critical currents for flux cutting and depinning, I calculate the forces on a helical vortex arc stretched between two pinning centers when the vortex is subjected to a current density of arbitrary angle Φ. Simultaneous initiation of flux cutting and flux transport occurs at the critical current density J{sub c}(Φ) that makes the vortex arc unstable.« less

Theory of flux cutting and flux transport at the critical current of a type-II superconducting cylindrical wire

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

Clem, John R.

2011-02-17

I introduce a critical-state theory incorporating both flux cutting and flux transport to calculate the magnetic-field and current-density distributions inside a type-II superconducting cylinder at its critical current in a longitudinal applied magnetic field. The theory is an extension of the elliptic critical-state model introduced by Romero-Salazar and Perez-Rodriguez. The vortex dynamics depend in detail on two nonlinear effective resistivities for flux cutting ({rho}{parallel}) and flux flow ({rho}{perpendicular}), and their ratio r = {rho}{parallel}/{rho}{perpendicular}. When r < 1, the low relative efficiency of flux cutting in reducing the magnitude of the internal magnetic-flux density leads to a paramagnetic longitudinal magneticmore » moment. As a model for understanding the experimentally observed interrelationship between the critical currents for flux cutting and depinning, I calculate the forces on a helical vortex arc stretched between two pinning centers when the vortex is subjected to a current density of arbitrary angle {phi}. Simultaneous initiation of flux cutting and flux transport occurs at the critical current density J{sub c}({phi}) that makes the vortex arc unstable.« less

Critical lines for an unequal size of molecules in a binary gas-liquid mixture around the van Laar point using the combination of the Tompa model and the van der Waals equation.

PubMed

Gençaslan, Mustafa; Keskin, Mustafa

2012-02-14

We combine the modified Tompa model with the van der Waals equation to study critical lines for an unequal size of molecules in a binary gas-liquid mixture around the van Laar point. The van Laar point is coined by Meijer and it is the only point at which the mathematical double point curve is stable. It is the intersection of the tricritical point and the double critical end point. We calculate the critical lines as a function of χ(1) and χ(2), the density of type I molecules and the density of type II molecules for various values of the system parameters; hence the global phase diagrams are presented and discussed in the density-density plane. We also investigate the connectivity of critical lines at the van Laar point and its vicinity and discuss these connections according to the Scott and van Konynenburg classifications. It is also found that the critical lines and phase behavior are extremely sensitive to small modifications in the system parameters. © 2012 American Institute of Physics

Theory of flux cutting and flux transport at the critical current of a type-II superconducting cylindrical wire

NASA Astrophysics Data System (ADS)

Clem, John R.

2011-06-01

I introduce a critical-state theory incorporating both flux cutting and flux transport to calculate the magnetic-field and current-density distributions inside a type-II superconducting cylinder at its critical current in a longitudinal applied magnetic field. The theory is an extension of the elliptic critical-state model introduced by Romero-Salazar and Pérez-Rodríguez. The vortex dynamics depend in detail on two nonlinear effective resistivities for flux cutting (ρ∥) and flux flow (ρ⊥), and their ratio r=ρ∥/ρ⊥. When r<1, the low relative efficiency of flux cutting in reducing the magnitude of the internal magnetic-flux density leads to a paramagnetic longitudinal magnetic moment. As a model for understanding the experimentally observed interrelationship between the critical currents for flux cutting and depinning, I calculate the forces on a helical vortex arc stretched between two pinning centers when the vortex is subjected to a current density of arbitrary angle ϕ. Simultaneous initiation of flux cutting and flux transport occurs at the critical current density Jc(ϕ) that makes the vortex arc unstable.

Electron–Positron Pair Flow and Current Composition in the Pulsar Magnetosphere

NASA Astrophysics Data System (ADS)

Brambilla, Gabriele; Kalapotharakos, Constantinos; Timokhin, Andrey N.; Harding, Alice K.; Kazanas, Demosthenes

2018-05-01

We perform ab initio particle-in-cell (PIC) simulations of a pulsar magnetosphere with electron–positron plasma produced only in the regions close to the neutron star surface. We study how the magnetosphere transitions from the vacuum to a nearly force-free configuration. We compare the resulting force-free-like configuration with those obtained in a PIC simulation where particles are injected everywhere as well as with macroscopic force-free simulations. We find that, although both PIC solutions have similar structure of electromagnetic fields and current density distributions, they have different particle density distributions. In fact, in the injection from the surface solution, electrons and positrons counterstream only along parts of the return current regions and most of the particles leave the magnetosphere without returning to the star. We also find that pair production in the outer magnetosphere is not critical for filling the whole magnetosphere with plasma. We study how the current density distribution supporting the global electromagnetic configuration is formed by analyzing particle trajectories. We find that electrons precipitate to the return current layer inside the light cylinder and positrons precipitate to the current sheet outside the light cylinder by crossing magnetic field lines, contributing to the charge density distribution required by the global electrodynamics. Moreover, there is a population of electrons trapped in the region close to the Y-point. On the other hand, the most energetic positrons are accelerated close to the Y-point. These processes can have observational signatures that, with further modeling effort, would help to distinguish this particular magnetosphere configuration from others.

Smoothed particle hydrodynamics simulations of evaporation and explosive boiling of liquid drops in microgravity.

PubMed

Sigalotti, Leonardo Di G; Troconis, Jorge; Sira, Eloy; Peña-Polo, Franklin; Klapp, Jaime

2015-07-01

The rapid evaporation and explosive boiling of a van der Waals (vdW) liquid drop in microgravity is simulated numerically in two-space dimensions using the method of smoothed particle hydrodynamics. The numerical approach is fully adaptive and incorporates the effects of surface tension, latent heat, mass transfer across the interface, and liquid-vapor interface dynamics. Thermocapillary forces are modeled by coupling the hydrodynamics to a diffuse-interface description of the liquid-vapor interface. The models start from a nonequilibrium square-shaped liquid of varying density and temperature. For a fixed density, the drop temperature is increased gradually to predict the point separating normal boiling at subcritical heating from explosive boiling at the superheat limit for this vdW fluid. At subcritical heating, spontaneous evaporation produces stable drops floating in a vapor atmosphere, while at near-critical heating, a bubble is nucleated inside the drop, which then collapses upon itself, leaving a smaller equilibrated drop embedded in its own vapor. At the superheat limit, unstable bubble growth leads to either fragmentation or violent disruption of the liquid layer into small secondary drops, depending on the liquid density. At higher superheats, explosive boiling occurs for all densities. The experimentally observed wrinkling of the bubble surface driven by rapid evaporation followed by a Rayleigh-Taylor instability of the thin liquid layer and the linear growth of the bubble radius with time are reproduced by the simulations. The predicted superheat limit (T(s)≈0.96) is close to the theoretically derived value of T(s)=1 at zero ambient pressure for this vdW fluid.

Near-critical density filling of the SF6 fluid cell for the ALI-R-DECLIC experiment in weightlessness

NASA Astrophysics Data System (ADS)

Lecoutre, C.; Marre, S.; Garrabos, Y.; Beysens, D.; Hahn, I.

2018-05-01

Analyses of ground-based experiments on near-critical fluids to precisely determine their density can be hampered by several effects, especially the density stratification of the sample, the liquid wetting behavior at the cell walls, and a possible singular curvature of the "rectilinear" diameter of the density coexisting curve. For the latter effect, theoretical efforts have been made to understand the amplitude and shape of the critical hook of the density diameter, which depart from predictions from the so-called ideal lattice-gas model of the uniaxial 3D-Ising universality class. In order to optimize the observation of these subtle effects on the position and shape of the liquid-vapor meniscus in the particular case of SF6, we have designed and filled a cell that is highly symmetrized with respect to any median plane of the total fluid volume. In such a viewed quasi-perfect symmetrical fluid volume, the precise detection of the meniscus position and shape for different orientations of the cell with respect to the Earth's gravity acceleration field becomes a sensitive probe to estimate the cell mean density filling and to test the singular diameter effects. After integration of this cell in the ALI-R insert, we take benefit of the high optical and thermal performances of the DECLIC Engineering Model. Here we present the sensitive imaging method providing the precise ground-based SF6 benchmark data. From these data analysis it is found that the temperature dependence of the meniscus position does not reflect the expected critical hook in the rectilinear density diameter. Therefore the off-density criticality of the cell is accurately estimated, before near future experiments using the same ALI-R insert in the DECLIC facility already on-board the International Space Station.

A new method suitable for calculating accurately wetting temperature over a wide range of conditions: Based on the adaptation of continuation algorithm to classical DFT

NASA Astrophysics Data System (ADS)

Zhou, Shiqi

2017-11-01

A new scheme is put forward to determine the wetting temperature (Tw) by utilizing the adaptation of arc-length continuation algorithm to classical density functional theory (DFT) used originally by Frink and Salinger, and its advantages are summarized into four points: (i) the new scheme is applicable whether the wetting occurs near a planar or a non-planar surface, whereas a zero contact angle method is considered only applicable to a perfectly flat solid surface, as demonstrated previously and in this work, and essentially not fit for non-planar surface. (ii) The new scheme is devoid of an uncertainty, which plagues a pre-wetting extrapolation method and originates from an unattainability of the infinitely thick film in the theoretical calculation. (iii) The new scheme can be similarly and easily applied to extreme instances characterized by lower temperatures and/or higher surface attraction force field, which, however, can not be dealt with by the pre-wetting extrapolation method because of the pre-wetting transition being mixed with many layering transitions and the difficulty in differentiating varieties of the surface phase transitions. (iv) The new scheme still works in instance wherein the wetting transition occurs close to the bulk critical temperature; however, this case completely can not be managed by the pre-wetting extrapolation method because near the bulk critical temperature the pre-wetting region is extremely narrow, and no enough pre-wetting data are available for use of the extrapolation procedure.

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.

Near-Inertial Surface Currents and their influence on Surface Dispersion in the Northeastern Gulf of Mexico near the Deepwater Horizon Oil Spill

NASA Astrophysics Data System (ADS)

Gough, M.; Reniers, A.; MacMahan, J. H.; Howden, S. D.

2014-12-01

The continental shelf along the northeastern Gulf of Mexico is transected by the critical latitude (30°N) for inertial motions. At this latitude the inertial period is 24 hours and diurnal surface current oscillations can amplify due to resonance with diurnal wind and tidal forcing. Tidal amplitudes are relatively small in this region although K1 tidal currents can be strong over the shelf west of the DeSoto Canyon where the K1 tide propagates onshore as a Sverdrup wave. Other sources of diurnal motions include internal tidal currents, Poincaré waves, and basin resonance. It is therefore very difficult to separate inertial wind-driven motions from other diurnal motions. Spatiotemporal surface currents were measured using hourly 6 km resolution HF radar data collected in June 2010 during the Deepwater Horizon oil spill and July 2012 during the Grand Lagrangian Deployment (GLAD). Surface currents were also measured using GLAD GPS-tracked drifters. NDBC buoy wind data were used to determine wind-forcing, and OSU Tidal Inversion Software (OTIS) were used to predict tidal currents. The relative spatiotemporal influence of diurnal wind and tidal forcing on diurnal surface current oscillations is determined through a series of comparative analyses: phase and amplitude of bandpassed timeseries, wavelet analyses, wind-driven inertial oscillation calculations, and tidal current predictions. The wind-driven inertial ocean response is calculated by applying a simple "slab" model where wind-forcing is allowed to excite a layer of low-density water riding over high density water. The spatial variance of diurnal motions are found to be correlated with satellite turbidity imagery indicating that stratification influences the sea surface inertial response to wind-forcing. Surface dispersion is found to be minimized in regions of high diurnal variance suggesting that mean surface transport is restricted in regions of inertial motions associated with stratification.

IV INTERNATIONAL CONFERENCE ON ATOM AND MOLECULAR PULSED LASERS (AMPL'99): Critical electron density in a self-contained copper vapour laser in the restricted pulse repetition rate

NASA Astrophysics Data System (ADS)

Yakovlenko, Sergei I.

2000-06-01

One of the mechanisms of the inversion breaking in copper vapour lasers caused by a high prepulse electron density is considered. Inversion breaking occurs at a critical electron density Ne cr. If the prepulse electron density exceeds Ne cr, the electron temperature Te cr cannot reach, during a plasma heating pulse, the temperature of ~2eV required for lasing. A simple estimate of Ne cr is made.

Retrogressive Failures in Sand Deposits of the Mississippi River. Report 1. Field Investigations, Laboratory Studies and Analysis of the Hypothesized Failure Mechanism

DTIC Science & Technology

1988-06-01

densities of Mississippi River point bar sands . 73. It is particularly conclusive to compare the available critical void ratio data for point bar sands on... River encounters the difficulty that the density of large parts of Zone A sands is between the upper and lower critical densities . All laboratory... sands of the Lower Mississippi River point bar deposits generally contain some strata of subcritical density , and the initial tendenc% of such sands

Excitonic instability in optically pumped three-dimensional Dirac materials

NASA Astrophysics Data System (ADS)

Pertsova, Anna; Balatsky, Alexander V.

2018-02-01

Recently it was suggested that transient excitonic instability can be realized in optically pumped two-dimensional (2D) Dirac materials (DMs), such as graphene and topological insulator surface states. Here we discuss the possibility of achieving a transient excitonic condensate in optically pumped three-dimensional (3D) DMs, such as Dirac and Weyl semimetals, described by nonequilibrium chemical potentials for photoexcited electrons and holes. Similar to the equilibrium case with long-range interactions, we find that for pumped 3D DMs with screened Coulomb potential two possible excitonic phases exist, an excitonic insulator phase and the charge density wave phase originating from intranodal and internodal interactions, respectively. In the pumped case, the critical coupling for excitonic instability vanishes; therefore the two phases coexist for arbitrarily weak coupling strengths. The excitonic gap in the charge density wave phase is always the largest one. The competition between screening effects and the increase of the density of states with optical pumping results in a rich phase diagram for the transient excitonic condensate. Based on the static theory of screening, we find that under certain conditions the value of the dimensionless coupling constant screening in 3D DMs can be weaker than in 2D DMs. Furthermore, we identify the signatures of the transient excitonic condensate that could be probed by scanning tunneling spectroscopy, photoemission, and optical conductivity measurements. Finally, we provide estimates of critical temperatures and excitonic gaps for existing and hypothetical 3D DMs.

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.

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.

"Squishy capacitor" model for electrical double layers and the stability of charged interfaces.

PubMed

Partenskii, Michael B; Jordan, Peter C

2009-07-01

Negative capacitance (NC), predicted by various electrical double layer (EDL) theories, is critically reviewed. Physically possible for individual components of the EDL, the compact or diffuse layer, it is strictly prohibited for the whole EDL or for an electrochemical cell with two electrodes. However, NC is allowed for the artificial conditions of sigma control, where an EDL is described by the equilibrium electric response of electrolyte to a field of fixed, and typically uniform, surface charge-density distributions, sigma. The contradiction is only apparent; in fact local sigma cannot be set independently, but is established by the equilibrium response to physically controllable variables, i.e., applied voltage phi (phi control) or total surface charge q (q control). NC predictions in studies based on sigma control signify potential instabilities and phase transitions for physically realizable conditions. Building on our previous study of phi control [M. B. Partenskii and P. C. Jordan, Phys. Rev. E 77, 061117 (2008)], here we analyze critical behavior under q control, clarifying the basic picture using an exactly solvable "squishy capacitor" toy model. We find that phi can change discontinuously in the presence of a lateral transition, specify stability conditions for an electrochemical cell, analyze the origin of the EDL's critical point in terms of compact and diffuse serial contributions, and discuss perspectives and challenges for theoretical studies not limited by sigma control.

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.

dc Resistivity of Quantum Critical, Charge Density Wave States from Gauge-Gravity Duality

NASA Astrophysics Data System (ADS)

Amoretti, Andrea; Areán, Daniel; Goutéraux, Blaise; Musso, Daniele

2018-04-01

In contrast to metals with weak disorder, the resistivity of weakly pinned charge density waves (CDWs) is not controlled by irrelevant processes relaxing momentum. Instead, the leading contribution is governed by incoherent, diffusive processes which do not drag momentum and can be evaluated in the clean limit. We compute analytically the dc resistivity for a family of holographic charge density wave quantum critical phases and discuss its temperature scaling. Depending on the critical exponents, the ground state can be conducting or insulating. We connect our results to dc electrical transport in underdoped cuprate high Tc superconductors. We conclude by speculating on the possible relevance of unstable, semilocally critical CDW states to the strange metallic region.

dc Resistivity of Quantum Critical, Charge Density Wave States from Gauge-Gravity Duality.

PubMed

Amoretti, Andrea; Areán, Daniel; Goutéraux, Blaise; Musso, Daniele

2018-04-27

In contrast to metals with weak disorder, the resistivity of weakly pinned charge density waves (CDWs) is not controlled by irrelevant processes relaxing momentum. Instead, the leading contribution is governed by incoherent, diffusive processes which do not drag momentum and can be evaluated in the clean limit. We compute analytically the dc resistivity for a family of holographic charge density wave quantum critical phases and discuss its temperature scaling. Depending on the critical exponents, the ground state can be conducting or insulating. We connect our results to dc electrical transport in underdoped cuprate high T_{c} superconductors. We conclude by speculating on the possible relevance of unstable, semilocally critical CDW states to the strange metallic region.

The Feedback Between Continents and Compositional Anomalies in the Deep Mantle

NASA Astrophysics Data System (ADS)

Lowman, J. P.; Trim, S. J.

2014-12-01

Findings from global seismic tomography studies suggest that the deep mantle may harbor a pair of broad, steep-sided, relatively dense compositionally anomalous provinces. The longevity and stability of these Large Low Shear-Wave Velocity Provinces (LLSVPs) has received considerable interest but their possible influence on surface motion has drawn lesser attention. Recent work using numerical mantle convection models investigated the feedback between oceanic plate motion and high density compositional anomalies. It was found that surface mobility is affected by the presence of compositional anomalies such that critical density contrasts and volumes of the enriched material produce a transition to stagnant-lid convection. For lesser volumes and density contrast (for example, volumes that are representative of the concentrations in the Earth's mantle) the presence of the compositional anomalies affects mean plate velocity and size when compared to the characteristics of systems in which the enriched material is absent. In addition, numerous studies and lines of evidence in the geologic record suggest that the presence of the density anomalies plays a role in determining the location of mantle upwellings, which in turn influence surface dynamics. In this study, we present the results from a study implementing a two-dimensional mantle convection model featuring an anomalously dense component and distinct continental and oceanic lithosphere. The mass, momentum, and energy conservation equations are solved using a hybrid spectral-finite difference code. Compositional variations are tracked using Lagrangian tracer particles. Mobile tectonic plates are modeled using a force-balance method and plate boundary locations evolve in response to interior stresses, plate velocity, age and lithospheric chemistry (i.e., oceanic versus continental). We examine the influence of continents on compositional anomaly morphology and longevity and the influence of compositional anomalies on continental size, mobility and aggregation. The influence of continents is isolated by comparing our calculations with cases in which continents are absent.

O Electromagnetic Power Waves and Power Density Components.

NASA Astrophysics Data System (ADS)

Petzold, Donald Wayne

1980-12-01

On January 10, 1884 Lord Rayleigh presented a paper entitled "On the Transfer of Energy in the Electromagnetic Field" to the Royal Society of London. This paper had been authored by the late Fellow of Trinity College, Cambridge, Professor J. H. Poynting and in it he claimed that there was a general law for the transfer of electromagnetic energy. He argued that associated with each point in space is a quantity, that has since been called the Poynting vector, that is a measure of the rate of energy flow per unit area. His analysis was concerned with the integration of this power density vector at all points over an enclosing surface of a specific volume. The interpretation of this Poynting vector as a true measure of the local power density was viewed with great skepticism unless the vector was integrated over a closed surface, as the development of the concept required. However, within the last decade or so Shadowitz indicates that a number of prominent authors have argued that the criticism of the interpretation of Poynting's vector as a local power density vector is unjustified. The present paper is not concerned with these arguments but instead is concerned with a decomposition of Poynting's power density vector into two and only two components: one vector which has the same direction as Poynting's vector and which is called the forward power density vector, and another vector, directed opposite to the Poynting vector and called the reverse power density vector. These new local forward and reverse power density vectors will be shown to be dependent upon forward and reverse power wave vectors and these vectors in turn will be related to newly defined forward and reverse components of the electric and magnetic fields. The sum of these forward and reverse power density vectors, which is simply the original Poynting vector, is associated with the total electromagnetic energy traveling past the local point. Another vector which is the difference between the forward and reverse power density vectors and which will be shown to be associated with the total electric and magnetic field energy densities existing at a local point will also be introduced. These local forward and reverse power density vectors may be integrated over a surface to determine the forward and reverse powers and from these results problems related to maximum power transfer or efficiency of electromagnetic energy transmission in space may be studied in a manner similar to that presently being done with transmission lines, wave guides, and more recently with two port multiport lumped parameter systems. These new forward and reverse power density vectors at a point in space are analogous to the forward and revoltages or currents and power waves as used with the transmission line, waveguide, or port. These power wave vectors in space are a generalization of the power waves as developed by Penfield, Youla, and Kurokawa and used with the scattering parameters associated with transmission lines, waveguides and ports.

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.

Nanoparticles decorated with viral antigens are more immunogenic at low surface density.

PubMed

Brewer, Matthew G; DiPiazza, Anthony; Acklin, Joshua; Feng, Changyong; Sant, Andrea J; Dewhurst, Stephen

2017-02-01

There is an urgent need to develop protective vaccines for high priority viral pathogens. One approach known to enhance immune responses to viral proteins is to display them on a nanoparticle (NP) scaffold. However, little is known about the effect of protein density on the B cell response to antigens displayed on NPs. To address this question HIV-1 Envelope (Env) and influenza hemagglutinin (HA) were displayed on a polystyrene-based NP scaffold at various densities - corresponding to mean antigen distances that span the range encountered on naturally occurring virions. Our studies revealed that NPs displaying lower densities of Env or HA more efficiently stimulated antigen-specific B cells in vitro, as measured by calcium flux, than did NPs displaying higher antigen densities. Similarly, NPs displaying a low density of Env or HA also elicited higher titers of antigen-specific serum IgG in immunized BALB/c mice (including elevated titers of hemagglutination-inhibiting antibodies), as well as an increased frequency of antigen-specific antibody secreting cells in the lymph node, spleen and bone marrow. Importantly, our studies showed that the enhanced B cell response elicited by the lower density NPs is likely secondary to more efficient development of follicular helper CD4 T cells and germinal center B cells. These findings demonstrate that the density of antigen on a NP scaffold is a critical determinant of the humoral immune response elicited, and that high density display does not always result in an optimal response. Copyright © 2017 Elsevier Ltd. All rights reserved.

THE IONIZED GAS IN NEARBY GALAXIES AS TRACED BY THE [NII] 122 AND 205 μm TRANSITIONS

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

Herrera-Camus, R.; Bolatto, A.; Wolfire, M.

2016-08-01

The [N ii] 122 and 205 μ m transitions are powerful tracers of the ionized gas in the interstellar medium. By combining data from 21 galaxies selected from the Herschel KINGFISH and Beyond the Peak surveys, we have compiled 141 spatially resolved regions with a typical size of ∼1 kpc, with observations of both [N ii] far-infrared lines. We measure [N ii] 122/205 line ratios in the ∼0.6–6 range, which corresponds to electron gas densities of n {sub e} ∼ 1–300 cm{sup −3}, with a median value of n {sub e} = 30 cm{sup −3}. Variations in the electron densitymore » within individual galaxies can be as high as a factor of ∼50, frequently with strong radial gradients. We find that n {sub e} increases as a function of infrared color, dust-weighted mean starlight intensity, and star-formation rate (SFR) surface density (Σ{sub SFR}). As the intensity of the [N ii] transitions is related to the ionizing photon flux, we investigate their reliability as tracers of the SFR. We derive relations between the [N ii] emission and SFR in the low-density limit and in the case of a log-normal distribution of densities. The scatter in the correlation between [N ii] surface brightness and Σ{sub SFR} can be understood as a property of the n {sub e} distribution. For regions with n {sub e} close to or higher than the [N ii] line critical densities, the low-density limit [N ii]-based SFR calibration systematically underestimates the SFR because the [N ii] emission is collisionally quenched. Finally, we investigate the relation between [N ii] emission, SFR, and n {sub e} by comparing our observations to predictions from the MAPPINGS-III code.« less

Universal fermionic spectral functions from string theory.

PubMed

Gauntlett, Jerome P; Sonner, Julian; Waldram, Daniel

2011-12-09

We carry out the first holographic calculation of a fermionic response function for a strongly coupled d=3 system with an explicit D=10 or D=11 supergravity dual. By considering the supersymmetry current, we obtain a universal result applicable to all d=3 N=2 SCFTs with such duals. Surprisingly, the spectral function does not exhibit a Fermi surface, despite the fact that the system is at finite charge density. We show that it has a phonino pole and at low frequencies there is a depletion of spectral weight with a power-law scaling which is governed by a locally quantum critical point.

Shipping container for fissile material

DOEpatents

Crowder, H.E.

1984-12-17

The present invention is directed to a shipping container for the interstate transportation of enriched uranium materials. The shipping container is comprised of a rigid, high-strength, cylindrical-shaped outer vessel lined with thermal insulation. Disposed inside the thermal insulation and spaced apart from the inner walls of the outer vessel is a rigid, high-strength, cylindrical inner vessel impervious to liquid and gaseous substances and having the inner surfaces coated with a layer of cadmium to prevent nuclear criticality. The cadmium is, in turn, lined with a protective shield of high-density urethane for corrosion and wear protection. 2 figs.

Improved quality of graphene in the absence of hydrogen in a low-temperature growth process using an alcohol precursor

NASA Astrophysics Data System (ADS)

Choi, Kyeonggon; Lee, Kiyeol; Jeong, Jaehoon; Ye, Jongpil

2017-03-01

We present the results of low-temperature growth of graphene on polycrystalline copper foil surfaces at 800 °C by using low-pressure chemical-vapor deposition of alcohol precursors. The structural quality of the graphene sample was found to depend significantly on the ambient conditions during the annealing and the growth processes. The improved quality of graphene grown in an oxidizing environment was found to be associated with a lower nucleation density, suggesting that chemisorbed oxygen atoms play a critical role in determining the quality of graphene.

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 Mean Flow Profiles on the Instability of a Low-Density Gas Jet Injected into a High-Density Gas

NASA Technical Reports Server (NTRS)

Vedantam, NandaKishore; Parthasarathy, Ramkumar N.

2004-01-01

The effects of the mean velocity profiles on the instability characteristics in the near-injector region of axisymmetric low density gas jets injected vertically upwards into a high-density gas medium were investigated using linear inviscid stability analysis. The flow was assumed to be isothermal and locally parallel. Three velocity profiles, signifying different changes in the mean velocity in the shear layer, were used in the analysis. The effects of the inhomogeneous shear layer and the Froude number (signifying the effects of gravity) on the instability for each set of mean profiles were delineated. At a large Froude number (negligible gravity), a critical density ratio was found for the three profiles at which the jet became absolutely unstable. The critical density ratio for each velocity profile was increased as the Froude number was reduced. A critical Froude number was found for the three sets of profiles, below which the jet was absolutely unstable for all the density ratios less than unity, which demarcated the jet flow into the momentum-driven regime and the buoyancy-driven regime.

Surface Passivation for Single-molecule Protein Studies

PubMed Central

Chandradoss, Stanley D.; Haagsma, Anna C.; Lee, Young Kwang; Hwang, Jae-Ho; Nam, Jwa-Min; Joo, Chirlmin

2014-01-01

Single-molecule fluorescence spectroscopy has proven to be instrumental in understanding a wide range of biological phenomena at the nanoscale. Important examples of what this technique can yield to biological sciences are the mechanistic insights on protein-protein and protein-nucleic acid interactions. When interactions of proteins are probed at the single-molecule level, the proteins or their substrates are often immobilized on a glass surface, which allows for a long-term observation. This immobilization scheme may introduce unwanted surface artifacts. Therefore, it is essential to passivate the glass surface to make it inert. Surface coating using polyethylene glycol (PEG) stands out for its high performance in preventing proteins from non-specifically interacting with a glass surface. However, the polymer coating procedure is difficult, due to the complication arising from a series of surface treatments and the stringent requirement that a surface needs to be free of any fluorescent molecules at the end of the procedure. Here, we provide a robust protocol with step-by-step instructions. It covers surface cleaning including piranha etching, surface functionalization with amine groups, and finally PEG coating. To obtain a high density of a PEG layer, we introduce a new strategy of treating the surface with PEG molecules over two rounds, which remarkably improves the quality of passivation. We provide representative results as well as practical advice for each critical step so that anyone can achieve the high quality surface passivation. PMID:24797261

Characterizing an Integrated Annual Global Measure of the Earth's Maximum Land Surface Temperatures from 2003 to 2012 Reveals Strong Biogeographic Influences

NASA Astrophysics Data System (ADS)

Mildrexler, D. J.; Zhao, M.; Running, S. W.

2014-12-01

Land Surface Temperature (LST) is a good indicator of the surface energy balance because it is determined by interactions and energy fluxes between the atmosphere and the ground. The variability of land surface properties and vegetation densities across the Earth's surface changes these interactions and gives LST a unique biogeographic influence. Natural and human-induced disturbances modify the surface characteristics and alter the expression of LST. This results in a heterogeneous and dynamic thermal environment. Measurements that merge these factors into a single global metric, while maintaining the important biophysical and biogeographical factors of the land surface's thermal environment are needed to better understand integrated temperature changes in the Earth system. Using satellite-based LST we have developed a new global metric that focuses on one critical component of LST that occurs when the relationship between vegetation density and surface temperature is strongly coupled: annual maximum LST (LSTmax). A 10 year evaluation of LSTmax histograms that include every 1-km pixel across the Earth's surface reveals that this integrative measurement is strongly influenced by the biogeographic patterns of the Earth's ecosystems, providing a unique comparative view of the planet every year that can be likened to the Earth's thermal maximum fingerprint. The biogeographical component is controlled by the frequency and distribution of vegetation types across the Earth's land surface and displays a trimodal distribution. The three modes are driven by ice covered polar regions, forests, and hot desert/shrubland environments. In ice covered areas the histograms show that the heat of fusion results in a convergence of surface temperatures around the melting point. The histograms also show low interannual variability reflecting two important global land surface dynamics; 1) only a small fraction of the Earth's surface is disturbed in any given year, and 2) when considered at the global scale, the positive and negative climate forcings resulting from the aggregate effects of the loss of vegetation to disturbances and the regrowth from natural succession are roughly in balance. Changes in any component of the histogram can be tracked and would indicate a major change in the Earth system.

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

Oohama, N.; Okamura, S.; Fukugita, M.

A bulge-disk decomposition is made for 737 spiral and lenticular galaxies drawn from a Sloan Digital Sky Survey galaxy sample for which morphological types are estimated. We carry out the bulge-disk decomposition using the growth curve fitting method. It is found that bulge properties, effective radius, effective surface brightness, and also absolute magnitude, change systematically with the morphological sequence; from early to late types, the size becomes somewhat larger, and surface brightness and luminosity fainter. In contrast, disks are nearly universal, their properties remaining similar among disk galaxies irrespective of detailed morphologies from S0 to Sc. While these tendencies weremore » often discussed in previous studies, the present study confirms them based on a large homogeneous magnitude-limited field galaxy sample with morphological types estimated. The systematic change of bulge-to-total luminosity ratio, B/T, along the morphological sequence is therefore not caused by disks but mostly by bulges. It is also shown that elliptical galaxies and bulges of spiral galaxies are unlikely to be in a single sequence. We infer the stellar mass density (in units of the critical mass density) to be OMEGA = 0.0021 for spheroids, i.e., elliptical galaxies plus bulges of spiral galaxies, and OMEGA = 0.00081 for disks.« less

The conformation of Pluronic block copolymers adsorbed on carbon nanotubes and their interaction with water studied by small-angle neutron scattering

NASA Astrophysics Data System (ADS)

Cohen, Yachin; Granite, Meirav; Pyckhout-Hintzen, Wim; Radulescu, Aurel

2010-03-01

Amphiphilic block copolymers are particularly useful in dispersing single-walled carbon nanotubes (SWCNT) in water. Small-angle neutron scattering measurements conducted at different D2O/H2O content of the dispersing medium provide quantitative information on the adsorption density and conformation of the polymer interacting with the nanotube surface. Data is presented on Pluronic F108 - (EO)132(PO)50(EO)132 and F127 (EO)100(PO)65(EO)100, where EO-ethylene oxide and PO-propylene oxide, well below the critical micellization temperature of the polymer. A dense coating of the PPO blocks on the nanotube surface is determined with the PEO chains extended from the cylindrical core-shell structure. The data from the two Pluronic systems show minimal scattering at about 70% D2O in the dispersing water, which exhibit a q -1 power law of the scattering vector (q ). This indicates near matching of the polymer chains at a surprisingly high scattering length density. The model fit required considerations of tight association of water molecules around PEO chains and slight isotopic selectivity.

Solid phase monofunctionalization of gold nanoparticles using ionic exchange resin as polymer support.

PubMed

Zou, Jianhua; Dai, Qiu; Wang, Jinhai; Liu, Xiong; Huo, Qun

2007-07-01

A solid phase modification method using anionic exchange resin as polymer support was developed for the synthesis of monofunctional gold nanoparticles. Based on a "catch and release" mechanism to control the number of functional groups attached to the nanoparticle surface, bifunctional thiol ligands with a carboxylic acid end group were first immobilized at a controlled density on anionic exchange resin through electrostatic interactions. Gold nanoparticles were then immobilized to the anionic exchange resin by a one-to-one place exchange reaction between resin-bound thiol ligands and butanethiol-protected gold nanoparticles in solution. After cleaving off from the resin under mild conditions, gold nanoparticles with a single carboxyl group attached to the surface were obtained as the major product. Experimental conditions such as the solvents used for ligand loading and solid phase place exchange reaction, and the loading density of the ligands, were found to play a critical role towards the successful synthesis of monofunctional nanoparticles. Overall, the noncovalent bond-based ligand immobilization technique reported here greatly simplified the process of solid phase monofunctionalization of nanoparticles compared to a previously reported covalent bond-based ligand immobilization technique.

Three dimensional carbon-bubble foams with hierarchical pores for ultra-long cycling life supercapacitors.

PubMed

Wang, Bowen; Zhang, Weigang; Wang, Lei; Wei, Jiake; Bai, Xuedong; Liu, Jingyue; Zhang, Guanhua; Duan, Huigao

2018-07-06

Design and synthesis of integrated, interconnected porous structures are critical to the development of high-performance supercapacitors. We develop a novel and facile synthesis technic to construct three-dimensional carbon-bubble foams with hierarchical pores geometry. The carbon-bubble foams are fabricated by conformally coating, via catalytic decomposition of ethanol, a layer of carbon coating onto the surfaces of pre-formed ZnO foams and then the removal of the ZnO template by a reduction-evaporation process. Both the wall thickness and the pore size can be well tuned by adjusting the catalytic decomposition time and temperature. The as-synthesized carbon-bubble foams electrode retains 90.3% of the initial capacitance even after 70 000 continuous cycles under a high current density of 20 A g -1 , demonstrating excellent long-time electrochemical and cycling stability. The symmetric device displays rate capability retention of 81.8% with the current density increasing from 0.4 to 20 A g -1 . These achieved electrochemical performances originate from the unique structural design of the carbon-bubble foams, which provide not only abundant transport channels for electron and ion but also high active surface area accessible by the electrolyte ions.

Three dimensional carbon-bubble foams with hierarchical pores for ultra-long cycling life supercapacitors

NASA Astrophysics Data System (ADS)

Wang, Bowen; Zhang, Weigang; Wang, Lei; Wei, Jiake; Bai, Xuedong; Liu, Jingyue; Zhang, Guanhua; Duan, Huigao

2018-07-01

Design and synthesis of integrated, interconnected porous structures are critical to the development of high-performance supercapacitors. We develop a novel and facile synthesis technic to construct three-dimensional carbon-bubble foams with hierarchical pores geometry. The carbon-bubble foams are fabricated by conformally coating, via catalytic decomposition of ethanol, a layer of carbon coating onto the surfaces of pre-formed ZnO foams and then the removal of the ZnO template by a reduction-evaporation process. Both the wall thickness and the pore size can be well tuned by adjusting the catalytic decomposition time and temperature. The as-synthesized carbon-bubble foams electrode retains 90.3% of the initial capacitance even after 70 000 continuous cycles under a high current density of 20 A g‑1, demonstrating excellent long-time electrochemical and cycling stability. The symmetric device displays rate capability retention of 81.8% with the current density increasing from 0.4 to 20 A g‑1. These achieved electrochemical performances originate from the unique structural design of the carbon-bubble foams, which provide not only abundant transport channels for electron and ion but also high active surface area accessible by the electrolyte ions.

Gravitational lensing by an ensemble of isothermal galaxies

NASA Technical Reports Server (NTRS)

Katz, Neal; Paczynski, Bohdan

1987-01-01

Calculation of 28,000 models of gravitational lensing of a distant quasar by an ensemble of randomly placed galaxies, each having a singular isothermal mass distribuiton, is reported. The average surface mass density was 0.2 of the critical value in all models. It is found that the surface mass density averaged over the area of the smallest circle that encompasses the multiple images is 0.82, only slightly smaller than expected from a simple analytical model of Turner et al. (1984). The probability of getting multiple images is also as large as expected analytically. Gravitational lensing is dominated by the matter in the beam; i.e., by the beam convergence. The cases where the multiple imaging is due to asymmetry in mass distribution (i.e., due to shear) are very rare. Therefore, the observed gravitational-lens candidates for which no lensing object has been detected between the images cannot be a result of asymmetric mass distribution outside the images, at least in a model with randomly distributed galaxies. A surprisingly large number of large separations between the multiple images is found: up to 25 percent of multiple images have their angular separation 2 to 4 times larger than expected in a simple analytical model.

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

Paz-Soldan, C.; La Haye, R. J.; Shiraki, D.

DIII-D plasmas at very low density exhibit onset of n=1 error field (EF) penetration (the `low-density locked mode') not at a critical density or EF, but instead at a critical level of runaway electron (RE) intensity. Raising the density during a discharge does not avoid EF penetration, so long as RE growth proceeds to the critical level. Penetration is preceded by non-thermalization of the electron cyclotron emission, anisotropization of the total pressure, synchrotron emission shape changes, as well as decreases in the loop voltage and bulk thermal electron temperature. The same phenomena occur despite various types of optimal EF correction,more » and in some cases modes are born rotating. Similar phenomena are also found at the low-density limit in JET. These results stand in contrast to the conventional interpretation of the low-density stability limit as being due to residual EFs and demonstrate a new pathway to EF penetration instability due to REs. Existing scaling laws for penetration project to increasing EF sensitivity as bulk temperatures decrease, though other possible mechanisms include classical tearing instability, thermo-resistive instability, and pressure-anisotropy driven instability. Regardless of first-principles mechanism, known scaling laws for Ohmic energy confinement combined with theoretical RE production rates allow rough extrapolation of the RE criticality condition, and thus, the low-density limit to other tokamaks. Furthermore, the extrapolated low-density limit by this pathway decreases with increasing machine size and is considerably below expected operating conditions for ITER. While likely unimportant for ITER, this effect can explain the low-density limit of existing tokamaks operating with small residual EFs.« less

Statistical mechanics study on wetting behaviors of Ne on Mg surface

NASA Astrophysics Data System (ADS)

Zhou, S.; Zhang, M.

2017-04-01

Wetting behavior of Ne adsorbed on a Mg surface, first investigated by means of a grand canonical Monte Carlo method in a previous publication (M. J. Bojan, G. Stan, S. Curtarolo, W. A. Steele, and M. W. Cole, Phys. Rev. E, 1999, 59, 864), is again studied by means of classical density functional theory. The Ne-Ne interaction is taken to be of the Lennard-Jones form, while the Ne-surface interaction is derived from an electronic density functional theory. The wetting phase diagram is calculated, and the isotherm shapes, energy and structural properties of the adsorbed films are examined. The present calculations indicate that the system exhibits first-order pre-wetting transition at temperatures above a wetting temperature of Tw≈24 K, and below a critical pre-wetting temperature of Tpwc≈25.09 K. The present findings include (i) in the pre-wetting temperature region, the pre-wetting transition is mixed with many layering transitions; after pre-wetting, the film thickness discontinuously increases (due to frequent occurrences of the layering transitions) and eventually diverges as the chemical potential approaches and eventually equals the saturation value. (ii) Occurrence of the layering transition remains above Tpwc, and the increase of the film thickness with the chemical potential is discontinuous. (iii) Below the wetting temperature, the layering transitions frequently occur and tend to gather together more closely as the saturation is approached.

Liquid-vapor rectilinear diameter revisited

NASA Astrophysics Data System (ADS)

Garrabos, Y.; Lecoutre, C.; Marre, S.; Beysens, D.; Hahn, I.

2018-02-01

In the modern theory of critical phenomena, the liquid-vapor density diameter in simple fluids is generally expected to deviate from a rectilinear law approaching the critical point. However, by performing precise scannerlike optical measurements of the position of the SF6 liquid-vapor meniscus, in an approach much closer to criticality in temperature and density than earlier measurements, no deviation from a rectilinear diameter can be detected. The observed meniscus position from far (10 K ) to extremely close (1 mK ) to the critical temperature is analyzed using recent theoretical models to predict the complete scaling consequences of a fluid asymmetry. The temperature dependence of the meniscus position appears consistent with the law of rectilinear diameter. The apparent absence of the critical hook in SF6 therefore seemingly rules out the need for the pressure scaling field contribution in the complete scaling theoretical framework in this SF6 analysis. More generally, this work suggests a way to clarify the experimental ambiguities in the simple fluids for the near-critical singularities in the density diameter.

Electric field effects on a near-critical fluid in microgravity

NASA Technical Reports Server (NTRS)

Zimmerli, G.; Wilkinson, R. A.; Ferrell, R. A.; Hao, H.; Moldover, M. R.

1994-01-01

The effects of an electric field on a sample of SF6 fluid in the vicinity of the liquid-vapor critical point is studied. The isothermal increase of the density of a near-critical sample as a function of the applied electric field was measured. In agreement with theory, this electrostriction effect diverges near the critical point as the isothermal compressibility diverges. Also as expected, turning on the electric field in the presence of density gradients can induce flow within the fluid, in a way analogous to turning on gravity. These effects were observed in a microgravity environment by using the Critical Point Facility which flew onboard the Space Shuttle Columbia in July 1994 as part of the Second International Microgravity Laboratory Mission. Both visual and interferometric images of two separate sample cells were obtained by means of video downlink. The interferometric images provided quantitative information about the density distribution throughout the sample. The electric field was generated by applying 500 Volts to a fine wire passing through the critical fluid.

Microstructural and crystallographic imperfections of MgB2 superconducting wire and their correlation with the critical current density

NASA Astrophysics Data System (ADS)

Shahabuddin, Mohammed; Alzayed, Nasser S.; Oh, Sangjun; Choi, Seyong; Maeda, Minoru; Hata, Satoshi; Shimada, Yusuke; Hossain, Md Shahriar Al; Kim, Jung Ho

2014-01-01

A comprehensive study of the effects of structural imperfections in MgB2 superconducting wire has been conducted. As the sintering temperature becomes lower, the structural imperfections of the MgB2 material are increased, as reflected by detailed X-ray refinement and the normal state resistivity. The crystalline imperfections, caused by lattice disorder, directly affect the impurity scattering between the π and σ bands of MgB2, resulting in a larger upper critical field. In addition, low sintering temperature keeps the grain size small, which leads to a strong enhancement of pinning, and thereby, enhanced critical current density. Owing to both the impurity scattering and the grain boundary pinning, the critical current density, irreversibility field, and upper critical field are enhanced. Residual voids or porosities obviously remain in the MgB2, however, even at low sintering temperature, and thus block current transport paths.

Study on queueing behavior in pedestrian evacuation by extended cellular automata model

NASA Astrophysics Data System (ADS)

Hu, Jun; You, Lei; Zhang, Hong; Wei, Juan; Guo, Yangyong

2018-01-01

This paper proposes a pedestrian evacuation model for effective simulation of evacuation efficiency based on extended cellular automata. In the model, pedestrians' momentary transition probability to a target position is defined in terms of the floor field and queueing time, and the critical time is defined as the waiting time threshold in a queue. Queueing time and critical time are derived using Fractal Brownian Motion through analysis of pedestrian arrival characteristics. Simulations using the platform and actual evacuations were conducted to study the relationships among system evacuation time, average system velocity, pedestrian density, flow rate, and critical time. The results demonstrate that at low pedestrian density, evacuation efficiency can be improved through adoption of the shortest route strategy, and critical time has an inverse relationship with average system velocity. Conversely, at higher pedestrian densities, it is better to adopt the shortest queueing time strategy, and critical time is inversely related to flow rate.

The non-thermal origin of the tokamak low-density stability limit

DOE PAGES

Paz-Soldan, C.; La Haye, R. J.; Shiraki, D.; ...

2016-04-13

DIII-D plasmas at very low density exhibit onset of n=1 error field (EF) penetration (the `low-density locked mode') not at a critical density or EF, but instead at a critical level of runaway electron (RE) intensity. Raising the density during a discharge does not avoid EF penetration, so long as RE growth proceeds to the critical level. Penetration is preceded by non-thermalization of the electron cyclotron emission, anisotropization of the total pressure, synchrotron emission shape changes, as well as decreases in the loop voltage and bulk thermal electron temperature. The same phenomena occur despite various types of optimal EF correction,more » and in some cases modes are born rotating. Similar phenomena are also found at the low-density limit in JET. These results stand in contrast to the conventional interpretation of the low-density stability limit as being due to residual EFs and demonstrate a new pathway to EF penetration instability due to REs. Existing scaling laws for penetration project to increasing EF sensitivity as bulk temperatures decrease, though other possible mechanisms include classical tearing instability, thermo-resistive instability, and pressure-anisotropy driven instability. Regardless of first-principles mechanism, known scaling laws for Ohmic energy confinement combined with theoretical RE production rates allow rough extrapolation of the RE criticality condition, and thus, the low-density limit to other tokamaks. Furthermore, the extrapolated low-density limit by this pathway decreases with increasing machine size and is considerably below expected operating conditions for ITER. While likely unimportant for ITER, this effect can explain the low-density limit of existing tokamaks operating with small residual EFs.« less

Separating the effects of repulsive and attractive forces on the phase diagram, interfacial, and critical properties of simple fluids

NASA Astrophysics Data System (ADS)

Fuentes-Herrera, M.; Moreno-Razo, J. A.; Guzmán, O.; López-Lemus, J.; Ibarra-Tandi, B.

2016-06-01

Molecular simulations in the canonical and isothermal-isobaric ensembles were performed to study the effect of varying the shape of the intermolecular potential on the phase diagram, critical, and interfacial properties of model fluids. The molecular interactions were modeled by the Approximate Non-Conformal (ANC) theory potentials. Unlike the Lennard-Jones or Morse potentials, the ANC interactions incorporate parameters (called softnesses) that modulate the steepness of the potential in their repulsive and attractive parts independently. This feature allowed us to separate unambiguously the role of each region of the potential on setting the thermophysical properties. In particular, we found positive linear correlation between all critical coordinates and the attractive and repulsive softness, except for the critical density and the attractive softness which are negatively correlated. Moreover, we found that the physical properties related to phase coexistence (such as span of the liquid phase between the critical and triple points, variations in the P-T vaporization curve, interface width, and surface tension) are more sensitive to changes in the attractive softness than to the repulsive one. Understanding the different roles of attractive and repulsive forces on phase coexistence may contribute to developing more accurate models of liquids and their mixtures.

Separating the effects of repulsive and attractive forces on the phase diagram, interfacial, and critical properties of simple fluids.

PubMed

Fuentes-Herrera, M; Moreno-Razo, J A; Guzmán, O; López-Lemus, J; Ibarra-Tandi, B

2016-06-07

Molecular simulations in the canonical and isothermal-isobaric ensembles were performed to study the effect of varying the shape of the intermolecular potential on the phase diagram, critical, and interfacial properties of model fluids. The molecular interactions were modeled by the Approximate Non-Conformal (ANC) theory potentials. Unlike the Lennard-Jones or Morse potentials, the ANC interactions incorporate parameters (called softnesses) that modulate the steepness of the potential in their repulsive and attractive parts independently. This feature allowed us to separate unambiguously the role of each region of the potential on setting the thermophysical properties. In particular, we found positive linear correlation between all critical coordinates and the attractive and repulsive softness, except for the critical density and the attractive softness which are negatively correlated. Moreover, we found that the physical properties related to phase coexistence (such as span of the liquid phase between the critical and triple points, variations in the P-T vaporization curve, interface width, and surface tension) are more sensitive to changes in the attractive softness than to the repulsive one. Understanding the different roles of attractive and repulsive forces on phase coexistence may contribute to developing more accurate models of liquids and their mixtures.

Measuring opacities for high energy density matter

DOE PAGES

Bailey, James E.

2015-07-01

How does energy propagate from the solar core to the surface of the sun, where it emerges to warm the Earth? How old are the stellar systems that host the numerous exoplanets that have now been discovered outside our solar system? How does radiation penetrate and heat an inertial fusion capsule? The answers to these seemingly disparate questions hinge on knowledge of the fundamental material property that controls the absorption of radiation: opacity. Opacity plays a critical role for many high energy density (HED) systems and is highly important for the NNSA stewardship mission. In addition, laboratory astrophysics research servesmore » as a conduit for establishing collaborations between the NNSA laboratories, between the NNSA laboratories and universities, and between the NNSA laboratories and our international partners. Exposure to open peer review sharpens the research capabilities and interactions of NNSA scientists with students and professors as a natural path for recruiting the next generation of stockpile stewards.« less

Single-Gap Superconductivity and Dome of Superfluid Density in Nb-Doped SrTiO 3

NASA Astrophysics Data System (ADS)

Thiemann, Markus; Beutel, Manfred H.; Dressel, Martin; Lee-Hone, Nicholas R.; Broun, David M.; Fillis-Tsirakis, Evangelos; Boschker, Hans; Mannhart, Jochen; Scheffler, Marc

2018-06-01

SrTiO3 exhibits a superconducting dome upon doping with Nb, with a maximum critical temperature Tc≈0.4 K . Using microwave stripline resonators at frequencies from 2 to 23 GHz and temperatures down to 0.02 K, we probe the low-energy optical response of superconducting SrTiO3 with a charge carrier concentration from 0.3 to 2.2 ×1020 cm-3 , covering the majority of the superconducting dome. We find single-gap electrodynamics even though several electronic bands are superconducting. This is explained by a single energy gap 2 Δ due to gap homogenization over the Fermi surface consistent with the low level of defect scattering in Nb-doped SrTiO3 . Furthermore, we determine Tc, 2 Δ , and the superfluid density as a function of charge carrier concentration, and all three quantities exhibit the characteristic dome shape.

Pressure-Induced Amorphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles.

PubMed

Corsini, Niccolo R C; Zhang, Yuanpeng; Little, William R; Karatutlu, Ali; Ersoy, Osman; Haynes, Peter D; Molteni, Carla; Hine, Nicholas D M; Hernandez, Ignacio; Gonzalez, Jesus; Rodriguez, Fernando; Brazhkin, Vadim V; Sapelkin, Andrei

2015-11-11

Over the last two decades, it has been demonstrated that size effects have significant consequences for the atomic arrangements and phase behavior of matter under extreme pressure. Furthermore, it has been shown that an understanding of how size affects critical pressure-temperature conditions provides vital guidance in the search for materials with novel properties. Here, we report on the remarkable behavior of small (under ~5 nm) matrix-free Ge nanoparticles under hydrostatic compression that is drastically different from both larger nanoparticles and bulk Ge. We discover that the application of pressure drives surface-induced amorphization leading to Ge-Ge bond overcompression and eventually to a polyamorphic semiconductor-to-metal transformation. A combination of spectroscopic techniques together with ab initio simulations were employed to reveal the details of the transformation mechanism into a new high density phase-amorphous metallic Ge.

Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions

NASA Astrophysics Data System (ADS)

Wang, RuLin; Zheng, Xiao; Kwok, YanHo; Xie, Hang; Chen, GuanHua; Yam, ChiYung

2015-04-01

Understanding electronic dynamics on material surfaces is fundamentally important for applications including nanoelectronics, inhomogeneous catalysis, and photovoltaics. Practical approaches based on time-dependent density functional theory for open systems have been developed to characterize the dissipative dynamics of electrons in bulk materials. The accuracy and reliability of such approaches depend critically on how the electronic structure and memory effects of surrounding material environment are accounted for. In this work, we develop a novel squared-Lorentzian decomposition scheme, which preserves the positive semi-definiteness of the environment spectral matrix. The resulting electronic dynamics is guaranteed to be both accurate and convergent even in the long-time limit. The long-time stability of electronic dynamics simulation is thus greatly improved within the current decomposition scheme. The validity and usefulness of our new approach are exemplified via two prototypical model systems: quasi-one-dimensional atomic chains and two-dimensional bilayer graphene.

Study on the friction of κ-carrageenan hydrogels in air and aqueous environments.

PubMed

Kozbial, Andrew; Li, Lei

2014-03-01

Understanding the friction mechanism of polysaccharide hydrogels, which is the key component of human cartilage that has very low friction coefficient, is critical to develop next generation artificial joint replacement materials. In this study, the friction of the polysaccharide κ-carrageenan hydrogel was investigated to elucidate the effect of external load, cross-linking density, velocity, and environment on friction. Our experimental results show that (1) coefficient of friction (COF) decreases with normal load in air and remains constant in water, (2) increasing cross-linking density concurrently increases friction and is proportional to Young's modulus, (3) COF increases with testing velocity in both air and water, and (4) friction is reduced in aqueous environment due to the lubricating effect of water. The underlying frictional mechanism is discussed on the basis of water transport from bulk to surface and a previously proposed "repulsion-adsorption" model. Copyright © 2013 Elsevier B.V. All rights reserved.

Electron quantum dynamics in atom-ion interaction

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

Sabzyan, H., E-mail: sabzyan@sci.ui.ac.ir; Jenabi, M. J.

2016-04-07

Electron transfer (ET) process and its dependence on the system parameters are investigated by solving two-dimensional time-dependent Schrödinger equation numerically using split operator technique. Evolution of the electron wavepacket occurs from the one-electron species hydrogen atom to another bare nucleus of charge Z > 1. This evolution is quantified by partitioning the simulation box and defining regional densities belonging to the two nuclei of the system. It is found that the functional form of the time-variations of these regional densities and the extent of ET process depend strongly on the inter-nuclear distance and relative values of the nuclear charges, whichmore » define the potential energy surface governing the electron wavepacket evolution. Also, the initial electronic state of the single-electron atom has critical effect on this evolution and its consequent (partial) electron transfer depending on its spreading extent and orientation with respect to the inter-nuclear axis.« less

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.

Critical soil bulk density for soybean growth in Oxisols

NASA Astrophysics Data System (ADS)

Keisuke Sato, Michel; Veras de Lima, Herdjania; Oliveira, Pedro Daniel de; Rodrigues, Sueli

2015-10-01

The aim of this study was to evaluate the critical soil bulk density from the soil penetration resistance measurements for soybean root growth in Brazilian Amazon Oxisols. The experiment was carried out in a greenhouse using disturbed soil samples collected from the northwest of Para characterized by different texture. The treatments consisted of a range of soil bulk densities for each soil textural class. Three pots were used for soybean growth of and two for the soil penetration resistance curve. From the fitted model, the critical soil bulk density was determined considering the penetration resistance values of 2 and 3 MPa. After sixty days, plants were cut and root length, dry mass of root, and dry mass of shoots were determined. At higher bulk densities, the increase in soil water content decreased the penetration resistance, allowing unrestricted growth of soybean roots. Regardless of soil texture, the penetration resistance of 2 and 3 MPa had a slight effect on root growth in soil moisture at field capacity and a reduction of 50% in the soybean root growth was achieved at critical soil bulk density of 1.82, 1.75, 1.51, and 1.45 Mg m-3 for the sandy loam, sandy clay loam, clayey, and very clayey soil.

Topological characterization of antireflective and hydrophobic rough surfaces: are random process theory and fractal modeling applicable?

NASA Astrophysics Data System (ADS)

Borri, Claudia; Paggi, Marco

2015-02-01

The random process theory (RPT) has been widely applied to predict the joint probability distribution functions (PDFs) of asperity heights and curvatures of rough surfaces. A check of the predictions of RPT against the actual statistics of numerically generated random fractal surfaces and of real rough surfaces has been only partially undertaken. The present experimental and numerical study provides a deep critical comparison on this matter, providing some insight into the capabilities and limitations in applying RPT and fractal modeling to antireflective and hydrophobic rough surfaces, two important types of textured surfaces. A multi-resolution experimental campaign using a confocal profilometer with different lenses is carried out and a comprehensive software for the statistical description of rough surfaces is developed. It is found that the topology of the analyzed textured surfaces cannot be fully described according to RPT and fractal modeling. The following complexities emerge: (i) the presence of cut-offs or bi-fractality in the power-law power-spectral density (PSD) functions; (ii) a more pronounced shift of the PSD by changing resolution as compared to what was expected from fractal modeling; (iii) inaccuracy of the RPT in describing the joint PDFs of asperity heights and curvatures of textured surfaces; (iv) lack of resolution-invariance of joint PDFs of textured surfaces in case of special surface treatments, not accounted for by fractal modeling.

Passivation of surface states of α-Fe2O3(0001) surface by deposition of Ga2O3 overlayers: A density functional theory study.

PubMed

Ulman, Kanchan; Nguyen, Manh-Thuong; Seriani, Nicola; Gebauer, Ralph

2016-03-07

There is a big debate in the community regarding the role of surface states of hematite in the photoelectrochemical water splitting. Experimental studies on non-catalytic overlayers passivating the hematite surface states claim a favorable reduction in the overpotential for the water splitting reaction. As a first step towards understanding the effect of these overlayers, we have studied the system Ga2O3 overlayers on hematite (0001) surfaces using first principles computations in the PBE+U framework. Our computations suggest that stoichiometric terminations of Ga2O3 overlayers are energetically more favored than the bare surface, at ambient oxygen chemical potentials. Energetics suggest that the overlayers prefer to grow via a layer-plus-island (Stranski-Krastanov) growth mode with a critical layer thickness of 1-2 layers. Thus, a complete wetting of the hematite surface by an overlayer of gallium oxide is thermodynamically favored. We establish that the effect of deposition of the Ga2O3 overlayers on the bare hematite surface is to passivate the surface states for the stoichiometric termination. For the oxygen terminated surface which is the most stable termination under photoelectrochemical conditions, the effect of deposition of the Ga2O3 overlayer is to passivate the hole-trapping surface state.

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.

Critical period of weed control in oilseed rape in two Moroccan regions.

PubMed

Maataoui, A; Bouhache, M; Benbella, M; Talouizte, A

2003-01-01

The determination of critical period of weed control in oilseed rape is necessary to know the weed control period. To determine the critical period, two fields experiments were carried out during 1995-96 growth season in Loukkos and Saïs regions at two oilseed densities (D1 = 24 and D2 = 36 plants m(-2)). Ten treatments corresponding to plots left weed free or weeded plots until four leaves, flowers bud, flowering, puds formation, and maturity stages of oilseed rape were tested. Density and biomass of weeds were determined at each oilseed stages. Results showed that weed density and biomass were higher in Saïs than in Loukkos sites. For a 10% yield loss, critical period of weed control in Loukkos was from 458 to 720 degree days after emergence (D degrees AE) and from 480 to 720 D degrees AE in oilseed conducted at densities D1 and D2, respectively. In Saïs, critical period of weed control was from 474 to 738 D degrees AE and from 468 to 675 D degrees AE in oilseed conducted at D1 and D2, respectively. It was concluded that the length of the critical period of weed control in oilseed rape grain yield seems to be dependant of the level of the infestation.

Heteroatom Polymer-Derived 3D High-Surface-Area and Mesoporous Graphene Sheet-Like Carbon for Supercapacitors.

PubMed

Sheng, Haiyang; Wei, Min; D'Aloia, Alyssa; Wu, Gang

2016-11-09

Current supercapacitors suffer from low energy density mainly due to the high degree of microporosity and insufficient hydrophilicity of their carbon electrodes. Development of a supercapacitor capable of simultaneously storing as much energy as a battery, along with providing sufficient power and long cycle stability would be valued for energy storage applications and innovations. Differing from commonly studied reduced graphene oxides, in this work we identified an inexpensive heteroatom polymer (polyaniline-PANI) as a carbon/nitrogen precursor, and applied a controlled thermal treatment at elevated temperature to convert PANI into 3D high-surface-area graphene-sheet-like carbon materials. During the carbonization process, various transition metals including Fe, Co, and Ni were added, which play critical roles in both catalyzing the graphitization and serving as pore forming agents. Factors including post-treatments, heating temperatures, and types of metal were found crucial for achieving enhanced capacitance performance on resulting carbon materials. Using FeCl 3 as precursor along with optimal heating temperature 1000 °C and mixed acid treatment (HCl+HNO 3 ), the highest Brunauer-Emmett-Teller (BET) surface area of 1645 m 2 g -1 was achieved on the mesopore dominant graphene-sheet-like carbon materials. The unique morphologies featured with high-surface areas, dominant mesopores, proper nitrogen doping, and 3D graphene-like structures correspond to remarkably enhanced electrochemical specific capacitance up to 478 Fg -1 in 1.0 M KOH at a scan rate of 5 mV s -1 . Furthermore, in a real two-electrode system of a symmetric supercapacitor, a specific capacitance of 235 Fg -1 using Nafion binder is obtained under a current density of 1 Ag -1 by galvanostatic charge-discharge tests in 6.0 M KOH. Long-term cycle stability up to 5000 cycles by using PVDF binder in electrode was systematically evaluated as a function of types of metals and current densities.

Generation of Superponderomotive Electrons in Multipicosecond Interactions of Kilojoule Laser Beams with Solid-Density Plasmas.

PubMed

Sorokovikova, A; Arefiev, A V; McGuffey, C; Qiao, B; Robinson, A P L; Wei, M S; McLean, H S; Beg, F N

2016-04-15

The interaction of a multipicosecond, kilojoule laser pulse with a surface of a solid target has been shown to produce electrons with energies far beyond the free-electron ponderomotive limit m_{e}c^{2}a_{0}^{2}/2. Particle-in-cell simulations indicate that an increase in the pulse duration from 1 to 10 ps leads to the formation of a low-density shelf (about 10% of the critical density). The shelf extends over 100  μm toward the vacuum side, with a nonstationary potential barrier forming in that area. Electrons reflected from the barrier gain superponderomotive energy from the potential. Some electrons experience an even greater energy gain due to ponderomotive acceleration when their "dephasing rate" R=γ-p_{x}/m_{e}c drops well below unity, thus increasing acceleration by a factor of 1/R. Both 1D and 2D simulations indicate that these mechanisms are responsible for the generation of extensive thermal distributions with T_{e}>10  MeV and a high-energy cutoff of hundreds of MeV.

Effects of Carrier Confinement and Intervalley Scattering on Photoexcited Electron Plasma in Silicon.

PubMed

Sieradzki, A; Kuznicki, Z T

2013-01-01

The ultrafast reflectivity of silicon, excited and probed with femtosecond laser pulses, is studied for different wavelengths and energy densities. The confinement of carriers in a thin surface layer delimited by a nanoscale Si-layered system buried in a Si heavily-doped wafer reduces the critical density of carriers necessary to create the electron plasma by a factor of ten. We performed two types of reflectivity measurements, using either a single beam or two beams. The plasma strongly depends on the photon energy density because of the intervalley scattering of the electrons revealed by two different mechanisms assisted by the electron-phonon interaction. One mechanism leads to a negative differential reflectivity that can be attributed to an induced absorption in X valleys. The other mechanism occurs, when the carrier population is thermalizing and gives rise to a positive differential reflectivity corresponding to Pauli-blocked intervalley gamma to X scattering. These results are important for improving the efficiency of Si light-to-electricity converters, in which there is a possibility of multiplying carriers by nanostructurization of Si.

Strong coupling of collection of emitters on hyperbolic meta-material

NASA Astrophysics Data System (ADS)

Biehs, Svend-Age; Xu, Chenran; Agarwal, Girish S.

2018-04-01

Recently, considerable effort has been devoted to the realization of a strong coupling regime of the radiation matter interaction in the context of an emitter at a meta surface. The strong interaction is well realized in cavity quantum electrodynamics, which also show that strong coupling is much easier to realize using a collection of emitters. Keeping this in mind, we study if emitters on a hyperbolic meta materials can yield a strong coupling regime. We show that strong coupling can be realized for densities of emitters exceeding a critical value. A way to detect strong coupling between emitters and hyperbolic metamaterials is to use the Kretschman-Raether configuration. The strong coupling appears as the splitting of the reflectivity dip. In the weak coupling regime, the dip position shifts. The shift and splitting can be used to sense active molecules at surfaces.

Scalable-manufactured randomized glass-polymer hybrid metamaterial for daytime radiative cooling

NASA Astrophysics Data System (ADS)

Zhai, Yao; Ma, Yaoguang; David, Sabrina N.; Zhao, Dongliang; Lou, Runnan; Tan, Gang; Yang, Ronggui; Yin, Xiaobo

2017-03-01

Passive radiative cooling draws heat from surfaces and radiates it into space as infrared radiation to which the atmosphere is transparent. However, the energy density mismatch between solar irradiance and the low infrared radiation flux from a near-ambient-temperature surface requires materials that strongly emit thermal energy and barely absorb sunlight. We embedded resonant polar dielectric microspheres randomly in a polymeric matrix, resulting in a metamaterial that is fully transparent to the solar spectrum while having an infrared emissivity greater than 0.93 across the atmospheric window. When backed with a silver coating, the metamaterial shows a noontime radiative cooling power of 93 watts per square meter under direct sunshine. More critically, we demonstrated high-throughput, economical roll-to-roll manufacturing of the metamaterial, which is vital for promoting radiative cooling as a viable energy technology.

Hydrodynamical Modeling of Large Circumstellar Disks

NASA Astrophysics Data System (ADS)

Kurfürst, P.; Krtǐcka, J.

2016-11-01

Direct centrifugal ejection from a critically or near-critically rotating surface forms a gaseous equatorial decretion disk. Anomalous viscosity provides the efficient mechanism for transporting the angular momentum outwards. The outer part of the disk can extend up to a very large distance from the parent star. We study the evolution of density, radial and azimuthal velocity, and angular momentum loss rate of equatorial decretion disks out to very distant regions. We investigate how the physical characteristics of the disk depend on the distribution of temperature and viscosity. We also study the magnetorotational instability, which is considered to be the origin of anomalous viscosity in outflowing disks. We use analytical calculations to study the stability of outflowing disks submerged to the magnetic field. At large radii the instability disappears in the region where the disk orbital velocity is roughly equal to the sound speed. Therefore, the disk sonic radius can be roughly considered as an outer disk radius.

Revealing the micromechanisms behind semi-solid metal deformation with time-resolved X-ray tomography.

PubMed

Kareh, K M; Lee, P D; Atwood, R C; Connolley, T; Gourlay, C M

2014-07-18

The behaviour of granular solid-liquid mixtures is key when deforming a wide range of materials from cornstarch slurries to soils, rock and magma flows. Here we demonstrate that treating semi-solid alloys as a granular fluid is critical to understanding flow behaviour and defect formation during casting. Using synchrotron X-ray tomography, we directly measure the discrete grain response during uniaxial compression. We show that the stress-strain response at 64-93% solid is due to the shear-induced dilation of discrete rearranging grains. This leads to the counter-intuitive result that, in unfed samples, compression can open internal pores and draw the free surface into the liquid, resulting in cracking. A soil mechanics approach shows that, irrespective of initial solid fraction, the solid packing density moves towards a constant value during deformation, consistent with the existence of a critical state in mushy alloys analogous to soils.

Revealing the micromechanisms behind semi-solid metal deformation with time-resolved X-ray tomography

PubMed Central

Kareh, K. M.; Lee, P. D.; Atwood, R. C.; Connolley, T.; Gourlay, C. M.

2014-01-01

The behaviour of granular solid–liquid mixtures is key when deforming a wide range of materials from cornstarch slurries to soils, rock and magma flows. Here we demonstrate that treating semi-solid alloys as a granular fluid is critical to understanding flow behaviour and defect formation during casting. Using synchrotron X-ray tomography, we directly measure the discrete grain response during uniaxial compression. We show that the stress–strain response at 64–93% solid is due to the shear-induced dilation of discrete rearranging grains. This leads to the counter-intuitive result that, in unfed samples, compression can open internal pores and draw the free surface into the liquid, resulting in cracking. A soil mechanics approach shows that, irrespective of initial solid fraction, the solid packing density moves towards a constant value during deformation, consistent with the existence of a critical state in mushy alloys analogous to soils. PMID:25034408

Universal phase diagrams with superconducting domes for electronic flat bands

NASA Astrophysics Data System (ADS)

Löthman, Tomas; Black-Schaffer, Annica M.

2017-08-01

Condensed matter systems with flat bands close to the Fermi level generally exhibit, due to their very large density of states, extraordinarily high critical ordering temperatures of symmetry-breaking orders, such as superconductivity and magnetism. Here we show that the critical temperatures follow one of two universal curves with doping away from a flat band depending on the ordering channel, which completely dictates both the general order competition and the phase diagram. Notably, we find that orders in the particle-particle channel (superconducting orders) survive decisively farther than orders in the particle-hole channel (magnetic or charge orders) because the channels have fundamentally different polarizabilities. Thus, even if a magnetic or charge order initially dominates, superconducting domes are still likely to exist on the flanks of flat bands. We apply these general results to both the topological surface flat bands of rhombohedral ABC-stacked graphite and to the Van Hove singularity of graphene.

Nucleation kinetics, crystal growth and optical studies on lithium hydrogen oxalate monohydrate single crystal

NASA Astrophysics Data System (ADS)

Chandran, Senthilkumar; Paulraj, Rajesh; Ramasamy, P.

2017-06-01

Semi-organic lithium hydrogen oxalate monohydrate non-linear optical single crystals have been grown by slow evaporation solution technique at 40 °C. The nucleation parameters such as critical radius, interfacial tension, and critical free energy change have been evaluated using the experimental data. The solubility and the nucleation curve of the crystal at different temperatures have been analyzed. The crystal has a positive temperature coefficient of solubility. The metastable zone width and induction period have been determined for the aqueous solution growth of lithium hydrogen oxalate monohydrate. The UV-vis-NIR spectrum showed this crystal has high transparency. The photoconductivity studies indicate lithium hydrogen oxalate monohydrate has positive photoconductivity behaviour. The low etch pit density observed on (0 0 1) crystal surface and the high resolution x-ray difraction analysis indicate the good quality of the grown crystals

Seismic refraction studies of volcanic crust in Costa Rica and of critical zones in the southern Sierra Nevada, California and Laramie Range, Wyoming

NASA Astrophysics Data System (ADS)

Hayes, Jorden L.

This work demonstrates the utility of seismic refraction surveys to understanding geologic processes at a range of scales. Each chapter presents subsurface maps of seismic p-wave velocities, which vary due to contrasts in elastic material properties. In the following chapters we examine seismic p-wave velocity variations that result from volcanic and tectonic processes within Earth's crust and chemical and physical weathering processes within Earth's near-surface environment. Chapter one presents results from an across-arc wide-angle seismic refraction survey of the Costa Rican volcanic front. These results support the hypothesis that juvenile continental crust may form along volcanic island arcs if built upon relatively thick substrates (i.e., large igneous provinces). Comparisons of velocity-depth functions show that velocities within the active arc of Costa Rica are lower than other modern island arcs (i.e., volcanic arcs built upon oceanic crust) and within the high-velocity extreme of bulk continental crust. Chapter two shows that physical processes can dominate over chemical processes in generating porosity in the deep critical zone and outlines a new framework for interpreting subsurface chemical and physical weathering at the landscape scale. Direct measurements of saprolite from boreholes at the Southern Sierra Nevada Critical Zone Observatory show that, contrary to convention, saprolite may experience high levels of volumetric strain (>35%) and uniform mass loss in the upper 11 m. By combining observations from boreholes and seismic refraction surveys we create a map of volumetric strain across the landscape. Variations in inferred volumetric strain are consistent with opening-mode fracture patterns predicted by topographic and tectonic stress models. Chapter three is a characterization of fracture distribution in the deep critical zone from geophysical and borehole observations in the Laramie Mountains, Wyoming. Data from core and down-hole acoustic televiewer images show that fracture density not only decreases with depth but also varies with topography. Comparisons of seismic p-wave velocities and fracture density show that increases in seismic velocity at our site (i.e., from 1-4 km/s) correspond to decreasing fracture density. Observations of a seismological boundary layer coupled with weathering interpreted in borehole images suggest a significant change in chemical weathering with depth. These results emphasize the complex interplay of chemical and physical processes in the deep critical zone.

Self-anti-reflective density-modulated thin films by HIPS technique

NASA Astrophysics Data System (ADS)

Keles, Filiz; Badradeen, Emad; Karabacak, Tansel

2017-08-01

A critical factor for an efficient light harvesting device is reduced reflectance in order to achieve high optical absorptance. In this regard, refractive index engineering becomes important to minimize reflectance. In this study, a new fabrication approach to obtain density-modulated CuIn x Ga(1-x)Se2 (CIGS) thin films with self-anti-reflective properties has been demonstrated. Density-modulated CIGS samples were fabricated by utilizing high pressure sputtering (HIPS) at Ar gas pressure of 2.75 × 10-2 mbar along with conventional low pressure sputtering (LPS) at Ar gas pressure of 3.0 × 10-3 mbar. LPS produces conventional high density thin films while HIPS produces low density thin films with approximate porosities of ˜15% due to a shadowing effect originating from the wide-spread angular atomic of HIPS. Higher pressure conditions lower the film density, which also leads to lower refractive index values. Density-modulated films that incorporate a HIPS layer at the side from which light enters demonstrate lower reflectance thus higher absorptance compared to conventional LPS films, although there is not any significant morphological difference between them. This result can be attributed to the self-anti-reflective property of the density-modulated samples, which was confirmed by the reduced refractive index calculated for HIPS layer via an envelope method. Therefore, HIPS, a simple and scalable approach, can provide enhanced optical absorptance in thin film materials and eliminate the need for conventional light trapping methods such as anti-reflective coatings of different materials or surface texturing.

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.

The fracture criticality of crustal rocks

NASA Astrophysics Data System (ADS)

Crampin, Stuart

1994-08-01

The shear-wave splitting observed along almost all shear-wave ray paths in the Earth's crust is interpreted as the effects of stress-aligned fluid-filled cracks, microcracks, and preferentially oriented pore space. Once away from the free surface, where open joints and fractures may lead to strong anisotropy of 10 per cent or greater, intact ostensibly unfractured crustal rock exhibits a limited range of shear-wave splitting from about 1.5 to 4.5 per cent differential shear-wave velocity anisotropy. Interpreting this velocity anisotropy as normalized crack densities, a factor of less than two in crack radius covers the range from the minimum 1.5 per cent anisotropy observed in intact rock to the 10 per cent observed in heavily cracked almost disaggregated near-surface rocks. This narrow range of crack dimensions and the pronounced effect on rock cohesion suggests that there is a state of fracture criticality at some level of anisotropy between 4.5 and 10 per cent marking the boundary between essentially intact, and heavily fractured rock. When the level of fracture criticality is exceeded, cracking is so severe that there is a breakdown in shear strength, the likelihood of progressive fracturing and the dispersal of pore fluids through enhanced permeability. The range of normalized crack dimensions below fracture criticality is so small in intact rock, that any modification to the crack geometry by even minor changes of conditions or minor deformation (particularly in the presence of high pore-fluid pressures) may change rock from being essentially intact (below fracture criticality) to heavily fractured (above fracture criticality). This recognition of the essential compliance of most crustal rocks, and its effect on shear-wave splitting, has implications for monitoring changes in any conditions affecting the rock mass. These include monitoring changes in reservoir evolution during hydrocarbon production and enhanced oil recovery, and in monitoring changes before and after earthquakes, amongst others.

The effects of elastocapillary length on the surface creasing instability of hydrogels

NASA Astrophysics Data System (ADS)

Ouchi, Tetsu; Liu, Qihan; Suo, Zhigang; Hayward, Ryan

Creasing is a mode of surface instability induced by compressing elastomers or gels. Formation of creases is known to proceed by a nucleation and growth process, and the critical nucleus size is thought to be determined by the elastocapillary length (defined by the ratio of surface tension to elastic modulus). Here, we vary the elastocapillary length over the range of 0.008 to 0.4 mm by preparing a series of soft hydrogels with different compositions and contacting them with humidified air. By rapidly applying compression, we are able to achieve strains that exceed the Maxwell strain (where creases become favorable compared to a flat surface) by more than 0.10, and which approach Biot's prediction for linear instability of a compressed half-space. Regardless of the conditions, however, we observe formation of creases only by nucleation and growth, although the density of nucleation sites is found to be sensitive to elastocapillary length. Interestingly, fast propagation of creases (at velocities similar to the speed of sound in the material) are found at strains approaching Biot's point.

Hydrodynamic size-dependent cellular uptake of aqueous QDs probed by fluorescence correlation spectroscopy.

PubMed

Dong, Chaoqing; Irudayaraj, Joseph

2012-10-11

Aqueous quantum dots (QDs) directly synthesized with various thiol ligands have been investigated as imaging probes in living cells. However, the effect of the surface chemistry of these ligands on QDs' cellular uptakes and their intracellular fate remains poorly understood. In this work, four CdTe QDs were directly synthesized under aqueous conditions using four different thiols as stabilizers and their interactions with cells were investigated. Fluorescence correlation spectroscopy (FCS), X-ray photoelectron spectroscopy (XPS), and zeta potential measurements on QDs primarily show that the surface structure of these QDs is highly dependent on the thiol ligands used in the preparation of QDs' precursors, including its layer thicknesses, densities, and surface charges. Subsequently, FCS integrated with the maximum-entropy-method-based FCS (MEMFCS) was used to investigate the concentration distribution and dynamics of these QDs in living A-427 cells. Our findings indicate that QDs' surface characteristics affect cell membrane adsorption and subsequent internalization. More critically, we show that the cellular uptake of aqueous QDs is dependent on their hydrodynamic diameter and might have the potential to escape trapped environments to accumulate in the cytoplasm.

Generation of long subharmonic internal waves by surface waves

NASA Astrophysics Data System (ADS)

Tahvildari, Navid; Kaihatu, James M.; Saric, William S.

2016-10-01

A new set of Boussinesq equations is derived to study the nonlinear interactions between long waves in a two-layer fluid. The fluid layers are assumed to be homogeneous, inviscid, incompressible, and immiscible. Based on the Boussinesq equations, an analytical model is developed using a second-order perturbation theory and applied to examine the transient evolution of a resonant triad composed of a surface wave and two oblique subharmonic internal waves. Wave damping due to weak viscosity in both layers is considered. The Boussinesq equations and the analytical model are verified. In contrast to previous studies which focus on short internal waves, we examine long waves and investigate some previously unexplored characteristics of this class of triad interaction. In viscous fluids, surface wave amplitudes must be larger than a threshold to overcome viscous damping and trigger internal waves. The dependency of this critical amplitude as well as the growth and damping rates of internal waves on important parameters in a two-fluid system, namely the directional angle of the internal waves, depth, density, and viscosity ratio of the fluid layers, and surface wave amplitude and frequency is investigated.

Surface tension and phase coexistence properties of the lattice fluid from a virtual site removal Monte Carlo strategy

NASA Astrophysics Data System (ADS)

Provata, Astero; Prassas, Vassilis D.; Theodorou, Doros N.

1997-10-01

A thin liquid film of lattice fluid in equilibrium with its vapor is studied in 2 and 3 dimensions with canonical Monte Carlo simulation (MC) and Self-Consistent Field Theory (SCF) in the temperature range 0.45Tc to Tc, where Tc the liquid-gas critical temperature. Extending the approach of Oates et al. [Philos. Mag. B 61, 337 (1990)] to anisotropic systems, we develop a method for the MC computation of the transverse and normal pressure profiles, hence of the surface tension, based on virtual removals of individual sites or blocks of sites from the system. Results from implementation of this new method, obtained at very modest computational cost, are in reasonable agreement with exact values and other MC estimates of the surface tension of the 2-d and 3-d model systems, respectively. SCF estimates of the interfacial density profiles, the surface tension, the vapor pressure curve and the binodal curve compare well with MC results away from Tc, but show the expected deviations at high temperatures.

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).

Topology optimization in acoustics and elasto-acoustics via a level-set method

NASA Astrophysics Data System (ADS)

Desai, J.; Faure, A.; Michailidis, G.; Parry, G.; Estevez, R.

2018-04-01

Optimizing the shape and topology (S&T) of structures to improve their acoustic performance is quite challenging. The exact position of the structural boundary is usually of critical importance, which dictates the use of geometric methods for topology optimization instead of standard density approaches. The goal of the present work is to investigate different possibilities for handling topology optimization problems in acoustics and elasto-acoustics via a level-set method. From a theoretical point of view, we detail two equivalent ways to perform the derivation of surface-dependent terms and propose a smoothing technique for treating problems of boundary conditions optimization. In the numerical part, we examine the importance of the surface-dependent term in the shape derivative, neglected in previous studies found in the literature, on the optimal designs. Moreover, we test different mesh adaptation choices, as well as technical details related to the implicit surface definition in the level-set approach. We present results in two and three-space dimensions.

Nanostructuring one-dimensional and amorphous lithium peroxide for high round-trip efficiency in lithium-oxygen batteries.

PubMed

Dutta, Arghya; Wong, Raymond A; Park, Woonghyeon; Yamanaka, Keisuke; Ohta, Toshiaki; Jung, Yousung; Byon, Hye Ryung

2018-02-14

The major challenge facing lithium-oxygen batteries is the insulating and bulk lithium peroxide discharge product, which causes sluggish decomposition and increasing overpotential during recharge. Here, we demonstrate an improved round-trip efficiency of ~80% by means of a mesoporous carbon electrode, which directs the growth of one-dimensional and amorphous lithium peroxide. Morphologically, the one-dimensional nanostructures with small volume and high surface show improved charge transport and promote delithiation (lithium ion dissolution) during recharge and thus plays a critical role in the facile decomposition of lithium peroxide. Thermodynamically, density functional calculations reveal that disordered geometric arrangements of the surface atoms in the amorphous structure lead to weaker binding of the key reaction intermediate lithium superoxide, yielding smaller oxygen reduction and evolution overpotentials compared to the crystalline surface. This study suggests a strategy to enhance the decomposition rate of lithium peroxide by exploiting the size and shape of one-dimensional nanostructured lithium peroxide.

Modeling polymer-induced interactions between two grafted surfaces: comparison between interfacial statistical associating fluid theory and self-consistent field theory.

PubMed

Jain, Shekhar; Ginzburg, Valeriy V; Jog, Prasanna; Weinhold, Jeffrey; Srivastava, Rakesh; Chapman, Walter G

2009-07-28

The interaction between two polymer grafted surfaces is important in many applications, such as nanocomposites, colloid stabilization, and polymer alloys. In our previous work [Jain et al., J. Chem. Phys. 128, 154910 (2008)], we showed that interfacial statistical associating fluid density theory (iSAFT) successfully calculates the structure of grafted polymer chains in the absence/presence of a free polymer. In the current work, we have applied this density functional theory to calculate the force of interaction between two such grafted monolayers in implicit good solvent conditions. In particular, we have considered the case where the segment sizes of the free (sigma(f)) and grafted (sigma(g)) polymers are different. The interactions between the two monolayers in the absence of the free polymer are always repulsive. However, in the presence of the free polymer, the force either can be purely repulsive or can have an attractive minimum depending upon the relative chain lengths of the free (N(f)) and grafted polymers (N(g)). The attractive minimum is observed only when the ratio alpha = N(f)/N(g) is greater than a critical value. We find that these critical values of alpha satisfy the following scaling relation: rho(g) square root(N(g)) beta(3) proportional to alpha(-lambda), where beta = sigma(f)/sigma(g) and lambda is the scaling exponent. For beta = 1 or the same segment sizes of the free and grafted polymers, this scaling relation is in agreement with those from previous theoretical studies using self-consistent field theory (SCFT). Detailed comparisons between iSAFT and SCFT are made for the structures of the monolayers and their forces of interaction. These comparisons lead to interesting implications for the modeling of nanocomposite thermodynamics.

COMPUTATIONAL MODELING OF CATHODIC LIMITATIONS ON LOCALIZED CORROSION OF WETTED SS 316L, AT ROOM TEMPERATURE

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

F. Cui; F.J. Presuel-Moreno; R.G. Kelly

2005-10-13

The ability of a SS316L surface wetted with a thin electrolyte layer to serve as an effective cathode for an active localized corrosion site was studied computationally. The dependence of the total net cathodic current, I{sub net}, supplied at the repassivation potential E{sub rp} (of the anodic crevice) on relevant physical parameters including water layer thickness (WL), chloride concentration ([Cl{sup -}]) and length of cathode (Lc) were investigated using a three-level, full factorial design. The effects of kinetic parameters including the exchange current density (i{sub o,c}) and Tafel slope ({beta}{sub c}) of oxygen reduction, the anodic passive current density (i{submore » p}) (on the cathodic surface), and E{sub rp} were studied as well using three-level full factorial designs of [Cl{sup -}] and Lc with a fixed WL of 25 {micro}m. The study found that all the three parameters WL, [Cl{sup -}] and Lc as well as the interactions of Lc x WL and Lc x [Cl{sup -}] had significant impact on I{sub net}. A five-factor regression equation was obtained which fits the computation results reasonably well, but demonstrated that interactions are more complicated than can be explained with a simple linear model. Significant effects on I{sub net} were found upon varying either i{sub o,c}, {beta}{sub c}, or E{sub rp}, whereas i{sub p} in the studied range was found to have little impact. It was observed that I{sub net} asymptotically approached maximum values (I{sub max}) when Lc increased to critical minimum values. I{sub max} can be used to determine the stability of coupled localized corrosion and the critical Lc provides important information for experimental design and corrosion protection.« less

Diving Behaviors and Habitat Use of Adult Female Steller Sea Lion (Eumetopias jubatus), A Top Predator of the Bering Sea and North Pacific Ocean Ecosystems

NASA Astrophysics Data System (ADS)

Lander, M. E.; Fadely, B.; Gelatt, T.; Sterling, J.; Johnson, D.; Haulena, M.; McDermott, S.

2016-02-01

Decreased natality resulting from nutritional stress is one hypothesized mechanism for declines of Steller sea lions (SSLs; Eumetopias jubatus) in western Alaska, but little is known of the winter foraging habitats or behavior of adult females. To address this critical data need, adult female Steller sea lions were chemically immobilized and tagged with Fastloc® GPS satellite transmitters during the fall at Southeast Alaska (SEAK) during 2010 (n=3), and the central and western Aleutian Islands (AI) from 2011-2014 (n=9). To identify habitat features of biological importance to these animals, location data were processed with a continuous-time correlated random walk model and kernel density estimates of predicted locations were used to compute individual-based utilization distributions. Kernel density estimates and diving behaviors (i.e. mean, maximum, and frequency of dive depths) were examined with respect to a series of static and dynamic environmental variables using linear mixed-effects models. Habitat use varied within and among individuals, but overall, all response variables were significantly related to a combination of the predictor variables season, distance to nearest SSL site, bathymetric slope, on/off shelf, sea surface temperature, sea surface height, proportion of daylight, and some interaction effects (P≤0.05). The habitat use of SSL from SEAK was consistent with previous reports and reflected the seasonal distribution of predictable forage fish, whereas SSL from the AI used a variety of marine ecosystems and habitat use was more variable, likely reflecting specific prey behaviors encountered in different areas. These results have improved our understanding of the habitat features necessary for the conservation of adult female SSL and have been useful for reviewing designated critical habitat for Steller sea lions throughout the U.S. range.

Impact of atmospheric refraction: how deeply can we probe exo-earth's atmospheres during primary eclipse observations?

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

Bétrémieux, Yan; Kaltenegger, Lisa, E-mail: betremieux@mpia.de

2014-08-10

Most models used to predict or fit exoplanet transmission spectra do not include all the effects of atmospheric refraction. Namely, the angular size of the star with respect to the planet can limit the lowest altitude, or highest density and pressure, probed during primary eclipses as no rays passing below this critical altitude can reach the observer. We discuss this geometrical effect of refraction for all exoplanets and tabulate the critical altitude, density, and pressure for an exoplanet identical to Earth with a 1 bar N{sub 2}/O{sub 2} atmosphere as a function of both the incident stellar flux (Venus, Earth,more » and Mars-like) at the top of the atmosphere and the spectral type (O5-M9) of the host star. We show that such a habitable exo-Earth can be probed to a surface pressure of 1 bar only around the coolest stars. We present 0.4-5.0 μm model transmission spectra of Earth's atmosphere viewed as a transiting exoplanet, and show how atmospheric refraction modifies the transmission spectrum depending on the spectral type of the host star. We demonstrate that refraction is another phenomenon that can potentially explain flat transmission spectra over some spectral regions.« less

Temperature dependence of stacking faults in catalyst-free GaAs nanopillars.

PubMed

Shapiro, Joshua N; Lin, Andrew; Ratsch, Christian; Huffaker, D L

2013-11-29

Impressive opto-electronic devices and transistors have recently been fabricated from GaAs nanopillars grown by catalyst-free selective-area epitaxy, but this growth technique has always resulted in high densities of stacking faults. A stacking fault occurs when atoms on the growing (111) surface occupy the sites of a hexagonal-close-pack (hcp) lattice instead of the normal face-centered-cubic (fcc) lattice sites. When stacking faults occur consecutively, the crystal structure is locally wurtzite instead of zinc-blende, and the resulting band offsets are known to negatively impact device performance. Here we present experimental and theoretical evidence that indicate stacking fault formation is related to the size of the critical nucleus, which is temperature dependent. The difference in energy between the hcp and fcc orientation of small nuclei is computed using density-function theory. The minimum energy difference of 0.22 eV is calculated for a nucleus with 21 atoms, so the population of nuclei in the hcp orientation is expected to decrease as the nucleus grows larger. The experiment shows that stacking fault occurrence is dramatically reduced from 22% to 3% by raising the growth temperature from 730 to 790 ° C. These data are interpreted using classical nucleation theory which dictates a larger critical nucleus at higher growth temperature.

Stochastic Modeling of the Clathrin-dependent and -independent Endocytic Pathways

NASA Astrophysics Data System (ADS)

Deng, Hua; Dutta, Prashanta; Liu, Jin

2017-11-01

Endocytosis is one of the important processes that bioparticles use to enter the cells. During endocytosis the membrane-bound vesicles are formed by the invagination of plasma membrane as a result of interactions among many proteins and cytoskeletons. The clathrin-mediated endocytosis is one of the most significant form of endocytosis, where the dynamic assembly of clathrin-coated pits play a critical role. While herpes simplex virus-1 has recently shown to infect cell by a novel phagocytosis-like endocytic pathway where actin polymerization may facilitate the viral entry. In this work, we propose a stochastic model for both clathrin-dependent and -independent endocytic pathways based on Monte Carlo simulations. The important roles of clathrin coating and actin cytoskeleton as well as the impact of other biological parameters are studied. Our preliminary results indicate that there exist an intermediate particle size and ligand density that maximize the internalization efficiency. Below a critical size or surface ligand density, it is difficult for the entry of a single particle, which means clustering may needed for more efficient internalization. We also find that lower membrane bending rigidity may help promote the bioparticle entry. Research reported in this publication was supported by the National Institute of General Medical Sciences of the National Institutes of Health under Award Number R01GM122081.

Plasma hydrodynamics of the intense laser-cluster interaction*

NASA Astrophysics Data System (ADS)

Milchberg, Howard

2002-11-01

We present a 1D hydrodynamic model of the intense laser-cluster interaction in which the laser field is treated self-consistently. We find that for clusters initially as small as 25Å in radius, for which the hydrodynamic model is appropriate, nonuniform expansion of the heated material results in long-time resonance of the laser field at the critical density plasma layer. A significant result of this is that the ponderomotive force, which is enhanced at the critical density surface, can be large enough to strongly modify the plasma hydrodynamics, even at laser intensities as low as 10^15 W/cm^2 for 800 nm laser pulses. Recent experiments in EUV and x-ray generation as a function of laser pulsewidth [1], and femtosecond time-resolved measurements of cluster transient polarizability [2] provide strong support for the basic physics of this model. Recent results using a 2D hybrid fluid/PIC code show qualitative agreement with the 1D hydrocode [3]. *Work supported by the National Science Foundation and the EUV-LLC. 1. E. Parra, I. Alexeev, J. Fan, K. Kim, S.J. McNaught, and H. M. Milchberg, Phys. Rev. E 62, R5931 (2000). 2. K.Y. Kim, I. Alexeev, E. Parra, and H.M. Milchberg, submitted for publication. 3. T. Taguchi, T. Antonsen, and H.M Milchberg, this meeting.

Critical current density of high-quality Bi2Sr2Ca2Cu3Ox thin films prepared by metalorganic chemical-vapor deposition

NASA Astrophysics Data System (ADS)

Yamasaki, H.; Endo, K.; Nakagawa, Y.; Umeda, M.; Kosaka, S.; Misawa, S.; Yoshida, S.; Kajimura, K.

1992-10-01

Critical current densities Jc were measured in as-deposited, c-axis-oriented Bi2Sr2Ca2Cu3Ox thin films with Tc values as high as 97 K, which were prepared by metalorganic chemical-vapor deposition. These films showed high Jc (≳109 A/m2) at 77.3 K in high magnetic fields (≥1 T, H∥a-b plane). The best values are 3.3×109 A/m2 at 1 T and 9.1×108 A/m2 at 8 T, which are the highest Jc for Bi-oxide thin films among those reported so far. There were no signs of weak links in the Jc(H) behavior, and the surface morphology examined by scanning electron microscopy showed no apparent grain boundaries. The values of Jc decreased sharply when the applied field deviated from the a-b plane, and went to zero at the angles where the field component in the c direction is nearly equal to the irreversibility field Hc2* parallel to the c axis. The angular dependence of Jc of these films is most reasonably explained by the theory of intrinsic pinning.

Deposition and properties of Fe(Se,Te) thin films on vicinal CaF2 substrates

NASA Astrophysics Data System (ADS)

Bryja, Hagen; Hühne, Ruben; Iida, Kazumasa; Molatta, Sebastian; Sala, Alberto; Putti, Marina; Schultz, Ludwig; Nielsch, Kornelius; Hänisch, Jens

2017-11-01

We report on the growth of epitaxial Fe1+δ Se0.5Te0.5 thin films on 0°, 5°, 10°, 15° and 20° vicinal cut CaF2 single crystals by pulsed laser deposition. In situ electron and ex situ x-ray diffraction studies reveal a tilted growth of the Fe1+δ Se0.5Te0.5 films, whereby under optimized deposition conditions the c-axis alignment coincides with the substrate [001] tilted axis up to a vicinal angle of 10°. Atomic force microscopy shows a flat island growth for all films. From resistivity measurements in longitudinal and transversal directions, the ab- and c-axis components of resistivity are derived and the mass anisotropy parameter is determined. Analysis of the critical current density indicates that no effective c-axis correlated defects are generated by vicinal growth, and pinning by normal point core defects dominates. However, for H∣∣ab the effective pinning centers change from surface defects to point core defects near the superconducting transition due to the vicinal cut. Furthermore, we show in angular-dependent critical current density data a shift of the ab-planes maxima position with the magnetic field strength.

Tuning the density profile of surface-grafted hyaluronan and the effect of counter-ions.

PubMed

Berts, Ida; Fragneto, Giovanna; Hilborn, Jöns; Rennie, Adrian R

2013-07-01

The present paper investigates the structure and composition of grafted sodium hyaluronan at a solid-liquid interface using neutron reflection. The solvated polymer at the surface could be described with a density profile that decays exponentially towards the bulk solution. The density profile of the polymer varied depending on the deposition protocol. A single-stage deposition resulted in denser polymer layers, while layers created with a two-stage deposition process were more diffuse and had an overall lower density. Despite the diffuse density profile, two-stage deposition leads to a higher surface excess. Addition of calcium ions causes a strong collapse of the sodium hyaluronan chains, increasing the polymer density near the surface. This effect is more pronounced on the sample prepared by two-stage deposition due to the initial less dense profile. This study provides an understanding at a molecular level of how surface functionalization alters the structure and how surface layers respond to changes in calcium ions in the solvent.

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.

Surface Collisions Involving Particles and Moisture (SCIP'M)

NASA Technical Reports Server (NTRS)

Davis, Robert H.

2005-01-01

Experiments were performed on the collision of a solid sphere with a nearly horizontal flat surface covered with a thin layer of viscous liquid. High-speed collisions were obtained by dropping the ball onto the surface from various heights, using gravitational acceleration. Low-speed collisions were obtained using pendulums with long strings or by launching the balls at low velocities in the reduced-gravity environment of parabolic flight. The sphere bounces only when the impact velocity exceeds a critical value. The coefficient of restitution (ratio of rebound velocity to impact velocity) increases with increasing impact velocity above the critical value, indicating the increasing relative importance of elastic deformation to viscous dissipation. The critical impact velocity increases, and the coefficient of restitution decreases, with increasing viscosity or thickness of the liquid layer and with decreasing density or size of the sphere. The ratio of the wet and dry coefficients is expressed as a function of the Stokes number (ratio of particle inertia and viscous forces), showing good agreement between theory and experiment. Similar experiments were performed with the flat surface inclined at various angles to the approaching sphere. A modified Stokes number, which is a measure of the ratio of inertia of the sphere in the normal direction to the viscous forces exerted by the fluid layer, was used for the analysis of oblique collisions. Even for these oblique collisions, it was found that no rebound of the ball was observed below a certain critical Stokes number. The coefficient of normal restitution, defined as a ratio of normal rebound velocity to normal approach velocity, was found to increase beyond the critical Stokes number and even out as it approaches the value for dry restitution at high Stokes numbers. It was also found that, for smooth spheres like steel, the normal restitution at the same modified Stokes number is independent of the angle of impact. The tangential coefficient of restitution, defined as the ratio of tangential rebound velocity to tangential approach velocity, is found to be nearly unity, except for very low approach velocities. Thus, as a first approximation, the theories that predict the coefficient of restitution for head-on wet collisions can be extended to predict the coefficient of normal restitution for oblique wet collisions. Additional experiments were performed with soft surfaces in which a porous cloth or sponge layer was placed over the hard, flat surface. In these experiments, the coefficient of restitution was found to decrease with increasing impact velocity, due to inelastic losses in the soft material. A model combining inelastic deformation and flow through porous media was developed to describe these findings.

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.

Hierarchical Superhydrophobic Surfaces with Micropatterned Nanowire Arrays for High-Efficiency Jumping Droplet Condensation.

PubMed

Wen, Rongfu; Xu, Shanshan; Zhao, Dongliang; Lee, Yung-Cheng; Ma, Xuehu; Yang, Ronggui

2017-12-27

Self-propelled droplet jumping on nanostructured superhydrophobic surfaces is of interest for a variety of industrial applications including self-cleaning, water harvesting, power generation, and thermal management systems. However, the uncontrolled nucleation-induced Wenzel state of condensed droplets at large surface subcooling (high heat flux) leads to the formation of unwanted large pinned droplets, which results in the flooding phenomenon and greatly degrades the heat transfer performance. In this work, we present a novel strategy to manipulate droplet behaviors during the process from the droplet nucleation to growth and departure through a combination of spatially controlling initial nucleation for mobile droplets by closely spaced nanowires and promoting the spontaneous outward movement of droplets for rapid removal using micropatterned nanowire arrays. Through the optical visualization experiments and heat transfer tests, we demonstrate greatly improved condensation heat transfer characteristics on the hierarchical superhydrophobic surface including the higher density of microdroplets, smaller droplet departure radius, 133% wider range of surface subcooling for droplet jumping, and 37% enhancement in critical heat flux for jumping droplet condensation, compared to the-state-of-art jumping droplet condensation on nanostructured superhydrophobic surfaces. The excellent water repellency of such hierarchical superhydrophobic surfaces can be promising for many potential applications, such as anti-icing, antifogging, water desalination, and phase-change heat transfer.

Hierarchical Superhydrophobic Surfaces with Micropatterned Nanowire Arrays for High-Efficiency Jumping Droplet Condensation

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

Wen, Rongfu; Xu, Shanshan; Zhao, Dongliang

Self-propelled droplet jumping on nanostructured superhydrophobic surfaces is of interest for a variety of industrial applications including self-cleaning, water harvesting, power generation, and thermal management systems. However, the uncontrolled nucleation-induced Wenzel state of condensed droplets at large surface subcooling (high heat flux) leads to the formation of unwanted large pinned droplets, which results in the flooding phenomenon and greatly degrades the heat transfer performance. In this work, we present a novel strategy to manipulate droplet behaviors during the process from the droplet nucleation to growth and departure through a combination of spatially controlling initial nucleation for mobile droplets by closelymore » spaced nanowires and promoting the spontaneous outward movement of droplets for rapid removal using micropatterned nanowire arrays. Through the optical visualization experiments and heat transfer tests, we demonstrate greatly improved condensation heat transfer characteristics on the hierarchical superhydrophobic surface including the higher density of microdroplets, smaller droplet departure radius, 133% wider range of surface subcooling for droplet jumping, and 37% enhancement in critical heat flux for jumping droplet condensation, compared to the-state-of-art jumping droplet condensation on nanostructured superhydrophobic surfaces. The excellent water repellency of such hierarchical superhydrophobic surfaces can be promising for many potential applications, such as anti-icing, antifogging, water desalination, and phase-change heat transfer.« less

Hierarchical Superhydrophobic Surfaces with Micropatterned Nanowire Arrays for High-Efficiency Jumping Droplet Condensation

DOE PAGES

Wen, Rongfu; Xu, Shanshan; Zhao, Dongliang; ...

2017-12-07

Self-propelled droplet jumping on nanostructured superhydrophobic surfaces is of interest for a variety of industrial applications including self-cleaning, water harvesting, power generation, and thermal management systems. However, the uncontrolled nucleation-induced Wenzel state of condensed droplets at large surface subcooling (high heat flux) leads to the formation of unwanted large pinned droplets, which results in the flooding phenomenon and greatly degrades the heat transfer performance. In this work, we present a novel strategy to manipulate droplet behaviors during the process from the droplet nucleation to growth and departure through a combination of spatially controlling initial nucleation for mobile droplets by closelymore » spaced nanowires and promoting the spontaneous outward movement of droplets for rapid removal using micropatterned nanowire arrays. Through the optical visualization experiments and heat transfer tests, we demonstrate greatly improved condensation heat transfer characteristics on the hierarchical superhydrophobic surface including the higher density of microdroplets, smaller droplet departure radius, 133% wider range of surface subcooling for droplet jumping, and 37% enhancement in critical heat flux for jumping droplet condensation, compared to the-state-of-art jumping droplet condensation on nanostructured superhydrophobic surfaces. The excellent water repellency of such hierarchical superhydrophobic surfaces can be promising for many potential applications, such as anti-icing, antifogging, water desalination, and phase-change heat transfer.« less

Fast Disinfecting Antimicrobial Surfaces

PubMed Central

Madkour, Ahmad E.; Dabkowski, Jeffery M.; Nüsslein, Klaus; Tew, Gregory N.

2013-01-01

Silicon wafers and glass surfaces were functionalized with facially amphiphilic antimicrobial copolymers using the “grafting from” technique. Surface initiated atom transfer radical polymerization (ATRP) was used to grow poly(butylmethacrylate)-co-poly(Boc-aminoethyl methacrylate) from the surfaces. Upon Boc-deprotection, these surfaces became highly antimicrobial and killed S. aureus and E. coli 100% in less than 5 min. The molecular weight and grafting density of the polymer were controlled by varying the polymerization time and initiator surface density. Antimicrobial studies showed that the killing efficiency of these surfaces was independent of polymer layer thickness or grafting density within the range of surfaces studied. PMID:19177651

Controlling the migration behaviors of vascular smooth muscle cells by methoxy poly(ethylene glycol) brushes of different molecular weight and density.

PubMed

Wu, Jindan; Mao, Zhengwei; Gao, Changyou

2012-01-01

Cell migration is an important biological activity. Regulating the migration of vascular smooth muscle cells (VSMCs) is critical in tissue engineering and therapy of cardiovascular disease. In this work, methoxy poly(ethylene glycol) (mPEG) brushes of different molecular weight (Mw 2 kDa, 5 kDa and 10 kDa) and grafting mass (0-859 ng/cm(2)) were prepared on aldehyde-activated glass slides, and were characterized by X-ray photoelectron spectrometer (XPS) and quartz crystal microbalance with dissipation (QCM-d). Adhesion and migration processes of VSMCs were studied as a function of different mPEG Mw and grafting density. We found that these events were mainly regulated by the grafting mass of mPEG regardless of mPEG Mw and grafting density. The VSMCs migrated on the surfaces randomly without a preferential direction. Their migration rates increased initially and then decreased along with the increase of mPEG grafting mass. The fastest rates (~24 μm/h) appeared on the mPEG brushes with grafting mass of 300-500 ng/cm(2) depending on the Mw. Cell adhesion strength, arrangement of cytoskeleton, and gene and protein expression levels of adhesion related proteins were studied to unveil the intrinsic mechanism. It was found that the cell-substrate interaction controlled the cell mobility, and the highest migration rate was achieved on the surfaces with appropriate adhesion force. Copyright © 2011 Elsevier Ltd. All rights reserved.

Growth mechanism and microstructure of low defect density InN (0001) In-face thin films on Si (111) substrates

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

Kehagias, Th.; Dimitrakopulos, G. P.; Koukoula, T.

2013-10-28

Transmission electron microscopy has been employed to analyze the direct nucleation and growth, by plasma-assisted molecular beam epitaxy, of high quality InN (0001) In-face thin films on (111) Si substrates. Critical steps of the heteroepitaxial growth process are InN nucleation at low substrate temperature under excessively high N-flux conditions and subsequent growth of the main InN epilayer at the optimum conditions, namely, substrate temperature 400–450 °C and In/N flux ratio close to 1. InN nucleation occurs in the form of a very high density of three dimensional (3D) islands, which coalesce very fast into a low surface roughness InN film.more » The reduced reactivity of Si at low temperature and its fast coverage by InN limit the amount of unintentional Si nitridation by the excessively high nitrogen flux and good bonding/adhesion of the InN film directly on the Si substrate is achieved. The subsequent overgrowth of the main InN epilayer, in a layer-by-layer growth mode that enhances the lateral growth of InN, reduces significantly the crystal mosaicity and the density of threading dislocations is about an order of magnitude less compared to InN films grown using an AlN/GaN intermediate nucleation/buffer layer on Si. The InN films exhibit the In-face polarity and very smooth atomically stepped surfaces.« less

Relativistic Electron Beams, Forward Thomson Scattering, and ``Raman'' Scattering

NASA Astrophysics Data System (ADS)

Simon, A.

1999-11-01

Experiments at LLE (see abstract by D. Hicks at this meeting) show that surprisingly high potentials (+0.5 to 2.0 MV) develop in plasmas irradiated by high-energy lasers. The highly conducting plasma will be a near equipotential and should attract return-current electrons in a radial beam-like distribution, especially in the outer low-density regions. This will initiate the BOT instability, creating large plasma waves with phase velocities close to c. Coherent Thomson scattering of the interaction beam from these waves must occur primarily in the forward direction. This will appear to be ``backward SRS'' upon reflection from a critical surface. We will show that the resulting spectrum is fairly broad and at short wavelengths. Collisional absorption of the scattered EM wave limits the reflectivity to low values (depending on the density scale length). Thus, a distinct difference exists between the spectrum for thick targets (nc surface present) and thin targets (gasbags, etc., from which primarily a narrow absolute-SRS backward emission occurs, at the peak density). The thick-target, reflected-wave angular distribution will be concentrated in the backward direction. The corresponding plasma-wave k-vector will be a fraction of k_0. The variation of the spectrum with potential and angle will be discussed. Comparison will be made with recent results at LLE and LLNL. This work was supported by the U.S. Department of Energy Office of Inertial Confinement Fusion under Cooperative Agreement No. DE-FC03-92SF19460, UR, and NYSERDA.

Toroidal figures of equilibrium from a second-order accurate, accelerated SCF method with subgrid approach

NASA Astrophysics Data System (ADS)

Huré, J.-M.; Hersant, F.

2017-02-01

We compute the structure of a self-gravitating torus with polytropic equation of state (EOS) rotating in an imposed centrifugal potential. The Poisson solver is based on isotropic multigrid with optimal covering factor (fluid section-to-grid area ratio). We work at second order in the grid resolution for both finite difference and quadrature schemes. For soft EOS (I.e. polytropic index n ≥ 1), the underlying second order is naturally recovered for boundary values and any other integrated quantity sensitive to the mass density (mass, angular momentum, volume, virial parameter, etc.), I.e. errors vary with the number N of nodes per direction as ˜1/N2. This is, however, not observed for purely geometrical quantities (surface area, meridional section area, volume), unless a subgrid approach is considered (I.e. boundary detection). Equilibrium sequences are also much better described, especially close to critical rotation. Yet another technical effort is required for hard EOS (n < 1), due to infinite mass density gradients at the fluid surface. We fix the problem by using kernel splitting. Finally, we propose an accelerated version of the self-consistent field (SCF) algorithm based on a node-by-node pre-conditioning of the mass density at each step. The computing time is reduced by a factor of 2 typically, regardless of the polytropic index. There is a priori no obstacle to applying these results and techniques to ellipsoidal configurations and even to 3D configurations.

Bose Condensation at He-4 Interfaces

NASA Technical Reports Server (NTRS)

Draeger, E. W.; Ceperley, D. M.

2003-01-01

Path Integral Monte Carlo was used to calculate the Bose-Einstein condensate fraction at the surface of a helium film at T = 0:77 K, as a function of density. Moving from the center of the slab to the surface, the condensate fraction was found to initially increase with decreasing density to a maximum value of 0.9, before decreasing. Long wavelength density correlations were observed in the static structure factor at the surface of the slab. A surface dispersion relation was calculated from imaginary-time density-density correlations. Similar calculations of the superfluid density throughout He-4 droplets doped with linear impurities (HCN)(sub n) are presented. After deriving a local estimator for the superfluid density distribution, we find a decreased superfluid response in the first solvation layer. This effective normal fluid exhibits temperature dependence similar to that of a two-dimensional helium system.

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.

Onset of Darrieus-Landau Instability in Expanding Flames

NASA Astrophysics Data System (ADS)

Mohan, Shikhar; Matalon, Moshe

2017-11-01

The effect of small amplitude perturbations on the propagation of circular flames in unconfined domains is investigated, computationally and analytically, within the context of the hydrodynamic theory. The flame, treated as a surface of density discontinuity separating fresh combustible mixture from the burnt gas, propagates at a speed dependent upon local curvature and hydrodynamic strain. For mixtures with Lewis numbers above criticality, thermodiffusive effects have stabilizing influences which largely affect the flame at small radii. The amplitude of these disturbances initially decay and only begin to grow once a critical radius is reached. This instability is hydrodynamic in nature and is a consequence of thermal expansion. Through linear stability analysis, predictions of critical flame radius at the onset of instability are obtained as functions of Markstein length and thermal expansion coefficients. The flame evolution is also examined numerically where the motion of the interface is tracked via a level-set method. Consistent with linear stability results, simulations show the flame initially remaining stable and the existence of a particular mode that will be first to grow and later determine the cellular structure observed experimentally at the onset of instability.

Critical current of SF-NFS Josephson junctions

NASA Astrophysics Data System (ADS)

Soloviev, I. I.; Klenov, N. V.; Bakursky, S. V.; Kupriyanov, M. Yu.; Golubov, A. A.

2015-02-01

The properties of SF-NFS sandwiches composed of two superconducting (S) electrodes separated by a weak-link region formed by a normal-metal (N) step with the thickness d N situated on the top of a lower S electrode and a ferromagnetic (F) layer with the thickness d F deposited onto the step and the remaining free surface of the lower electrode have been studied theoretically. It has been shown in the approximation of linearized semiclassical Usadel equations that the two-dimensional problem in the weak-link region can be reduced to two one-dimensional problems in its SFS and SNFS segments. The spatial distributions of the critical current density J c in the segments as a function of the layer thickness d F have been calculated. The dependences of the critical current I c of the structure on the magnitude of the magnetization vector M of the ferromagnetic layer have been found for various directions of the magnetization within the junction plane. It has been shown that these dependences are affected considerably by both the orientation of M and the spatial distribution of J c.

A route for a strong increase of critical current in nanostrained iron-based superconductors

DOE PAGES

Ozaki, Toshinori; Li, Qiang; Wu, Lijun; ...

2016-10-06

The critical temperature T c and the critical current density J c determine the limits to large-scale superconductor applications. Superconductivity emerges at T c. The practical current-carrying capability, measured by J c, is the ability of defects in superconductors to pin the magnetic vortices, and that may reduce T c. Simultaneous increase of T c and J c in superconductors is desirable but very difficult to realize. Here we demonstrate a route to raise both T c and J c together in iron-based superconductors. By using low-energy proton irradiation, we create cascade defects in FeSe 0.5Te 0.5 films. Tc ismore » enhanced due to the nanoscale compressive strain and proximity effect, whereas J c is doubled under zero field at 4.2 K through strong vortex pinning by the cascade defects and surrounding nanoscale strain. At 12 K and above 15 T, one order of magnitude of J c enhancement is achieved in both parallel and perpendicular magnetic fields to the film surface.« less

Axisymmetric annular curtain stability

NASA Astrophysics Data System (ADS)

Ahmed, Zahir U.; Khayat, Roger E.; Maissa, Philippe; Mathis, Christian

2012-06-01

A temporal stability analysis was carried out to investigate the stability of an axially moving viscous annular liquid jet subject to axisymmetric disturbances in surrounding co-flowing viscous gas media. We investigated in this study the effects of inertia, surface tension, the gas-to-liquid density ratio, the inner-to-outer radius ratio and the gas-to-liquid viscosity ratio on the stability of the jet. With an increase in inertia, the growth rate of the unstable disturbances is found to increase. The dominant (or most unstable) wavenumber decreases with increasing Reynolds number for larger values of the gas-to-liquid viscosity ratio. However, an opposite tendency for the most unstable wavenumber is predicted for small viscosity ratio in the same inertia range. The surrounding gas density, in the presence of viscosity, always reduces the growth rate, hence stabilizing the flow. There exists a critical value of the density ratio above which the flow becomes stable for very small viscosity ratio, whereas for large viscosity ratio, no stable flow appears in the same range of the density ratio. The curvature has a significant destabilizing effect on the thin annular jet, whereas for a relatively thick jet, the maximum growth rate decreases as the inner radius increases, irrespective of the surrounding gas viscosity. The degree of instability increases with Weber number for a relatively large viscosity ratio. In contrast, for small viscosity ratio, the growth rate exhibits a dramatic dependence on the surface tension. There is a small Weber number range, which depends on the viscosity ratio, where the flow is stable. The viscosity ratio always stabilizes the flow. However, the dominant wavenumber increases with increasing viscosity ratio. The range of unstable wavenumbers is affected only by the curvature effect.

Advances in sublimation studies for particles of explosives

NASA Astrophysics Data System (ADS)

Furstenberg, Robert; Nguyen, Viet; Fischer, Thomas; Abrishami, Tara; Papantonakis, Michael; Kendziora, Chris; Mott, David R.; McGill, R. Andrew

2015-05-01

When handling explosives, or related surfaces, the hands routinely become contaminated with particles of explosives and related materials. Subsequent contact with a solid surface results in particle crushing and deposition. These particles provide an evidentiary trail which is useful for security applications. As such, the opto-physico-chemical characteristics of these particles are critical to trace explosives detection applications in DOD or DHS arenas. As the persistence of these particles is vital to their forensic exploitation, it is important to understand which factors influence their persistence. The longevity or stability of explosives particles on a substrate is a function of several environmental parameters or particle properties including: Vapor pressure, particle geometry, airflow, particle field size, substrate topography, humidity, reactivity, adlayers, admixtures, particle areal density, and temperature. In this work we deposited particles of 2,4-dinitrotoluene on standard microscopy glass slides by particle sieving and studied their sublimation as a function of airflow velocity, areal particle density and particle field size. Analysis of 2D microscopic images was used to compute and track particle size and geometrical characteristics. The humidity, temperature and substrate type were kept constant for each experiment. A custom airflow cell, using standard microscopy glass slide, allowed in-situ photomicroscopy. Areal particle densities and airflow velocities were selected to provide relevant loadings and flow velocities for a range of potential applications. For a chemical of interest, we define the radial sublimation velocity (RSV) for the equivalent sphere of a particle as the parameter to characterize the sublimation rate. The RSV is a useful parameter because it is independent of particle size. The sublimation rate for an ensemble of particles was found to significantly depend on airflow velocity, the areal density of the particles, and the particle field size. To compare sublimation studies these parameters must be known.

How stellar feedback simultaneously regulates star formation and drives outflows

NASA Astrophysics Data System (ADS)

Hayward, Christopher C.; Hopkins, Philip F.

2017-02-01

We present an analytic model for how momentum deposition from stellar feedback simultaneously regulates star formation and drives outflows in a turbulent interstellar medium (ISM). Because the ISM is turbulent, a given patch of ISM exhibits sub-patches with a range of surface densities. The high-density patches are 'pushed' by feedback, thereby driving turbulence and self-regulating local star formation. Sufficiently low-density patches, however, are accelerated to above the escape velocity before the region can self-adjust and are thus vented as outflows. When the gas fraction is ≳ 0.3, the ratio of the turbulent velocity dispersion to the circular velocity is sufficiently high that at any given time, of the order of half of the ISM has surface density less than the critical value and thus can be blown out on a dynamical time. The resulting outflows have a mass-loading factor (η ≡ dot{M}_{out}/M_{star }) that is inversely proportional to the gas fraction times the circular velocity. At low gas fractions, the star formation rate needed for local self-regulation, and corresponding turbulent Mach number, declines rapidly; the ISM is 'smoother', and it is actually more difficult to drive winds with large mass-loading factors. Crucially, our model predicts that stellar-feedback-driven outflows should be suppressed at z ≲ 1 in M⋆ ≳ 1010 M⊙ galaxies. This mechanism allows massive galaxies to exhibit violent outflows at high redshifts and then 'shut down' those outflows at late times, thereby enabling the formation of a smooth, extended thin stellar disc. We provide simple fitting functions for η that should be useful for sub-resolution and semi-analytic models.

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.

Peculiarities of electron density distribution in bismuth chalcogenides, iron pnictides, cuprates and related unconventional superconductors

NASA Astrophysics Data System (ADS)

Orlov, V. G.; Sergeev, G. S.

2018-05-01

With the aim to reveal the origin of instabilities in the electron subsystem of unconventional superconductors, such as stripes or nematic symmetry breaking, electron band structure calculations were performed for a number of bismuth chalcogenides, bismuth oxide, iron pnictides, as well as for Bi2Sr2CaCu2O8, YBa2Cu3O7 and La2CuO4. It was found that bond critical points in the electron density distribution ρ(r) of all the studied compounds were characterized by positive sign of electron density Laplacian evidencing on depletion of electron charge from the area of bond critical points. A correlation was found between the Tc and the value of electron density Laplacian in the strongest bond critical points of superconductors and related substances.

Disordered cellular automaton traffic flow model: phase separated state, density waves and self organized criticality

NASA Astrophysics Data System (ADS)

Fourrate, K.; Loulidi, M.

2006-01-01

We suggest a disordered traffic flow model that captures many features of traffic flow. It is an extension of the Nagel-Schreckenberg (NaSch) stochastic cellular automata for single line vehicular traffic model. It incorporates random acceleration and deceleration terms that may be greater than one unit. Our model leads under its intrinsic dynamics, for high values of braking probability pr, to a constant flow at intermediate densities without introducing any spatial inhomogeneities. For a system of fast drivers pr→0, the model exhibits a density wave behavior that was observed in car following models with optimal velocity. The gap of the disordered model we present exhibits, for high values of pr and random deceleration, at a critical density, a power law distribution which is a hall mark of a self organized criticality phenomena.

Critical behavior of subcellular density organization during neutrophil activation and migration.

PubMed

Baker-Groberg, Sandra M; Phillips, Kevin G; Healy, Laura D; Itakura, Asako; Porter, Juliana E; Newton, Paul K; Nan, Xiaolin; McCarty, Owen J T

2015-12-01

Physical theories of active matter continue to provide a quantitative understanding of dynamic cellular phenomena, including cell locomotion. Although various investigations of the rheology of cells have identified important viscoelastic and traction force parameters for use in these theoretical approaches, a key variable has remained elusive both in theoretical and experimental approaches: the spatiotemporal behavior of the subcellular density. The evolution of the subcellular density has been qualitatively observed for decades as it provides the source of image contrast in label-free imaging modalities (e.g., differential interference contrast, phase contrast) used to investigate cellular specimens. While these modalities directly visualize cell structure, they do not provide quantitative access to the structures being visualized. We present an established quantitative imaging approach, non-interferometric quantitative phase microscopy, to elucidate the subcellular density dynamics in neutrophils undergoing chemokinesis following uniform bacterial peptide stimulation. Through this approach, we identify a power law dependence of the neutrophil mean density on time with a critical point, suggesting a critical density is required for motility on 2D substrates. Next we elucidate a continuum law relating mean cell density, area, and total mass that is conserved during neutrophil polarization and migration. Together, our approach and quantitative findings will enable investigators to define the physics coupling cytoskeletal dynamics with subcellular density dynamics during cell migration.

Critical behavior of subcellular density organization during neutrophil activation and migration

PubMed Central

Baker-Groberg, Sandra M.; Phillips, Kevin G.; Healy, Laura D.; Itakura, Asako; Porter, Juliana E.; Newton, Paul K.; Nan, Xiaolin; McCarty, Owen J.T.

2015-01-01

Physical theories of active matter continue to provide a quantitative understanding of dynamic cellular phenomena, including cell locomotion. Although various investigations of the rheology of cells have identified important viscoelastic and traction force parameters for use in these theoretical approaches, a key variable has remained elusive both in theoretical and experimental approaches: the spatiotemporal behavior of the subcellular density. The evolution of the subcellular density has been qualitatively observed for decades as it provides the source of image contrast in label-free imaging modalities (e.g., differential interference contrast, phase contrast) used to investigate cellular specimens. While these modalities directly visualize cell structure, they do not provide quantitative access to the structures being visualized. We present an established quantitative imaging approach, non-interferometric quantitative phase microscopy, to elucidate the subcellular density dynamics in neutrophils undergoing chemokinesis following uniform bacterial peptide stimulation. Through this approach, we identify a power law dependence of the neutrophil mean density on time with a critical point, suggesting a critical density is required for motility on 2D substrates. Next we elucidate a continuum law relating mean cell density, area, and total mass that is conserved during neutrophil polarization and migration. Together, our approach and quantitative findings will enable investigators to define the physics coupling cytoskeletal dynamics with subcellular density dynamics during cell migration. PMID:26640599

Characterization and extraction of the synaptic apposition surface for synaptic geometry analysis

PubMed Central

Morales, Juan; Rodríguez, Angel; Rodríguez, José-Rodrigo; DeFelipe, Javier; Merchán-Pérez, Angel

2013-01-01

Geometrical features of chemical synapses are relevant to their function. Two critical components of the synaptic junction are the active zone (AZ) and the postsynaptic density (PSD), as they are related to the probability of synaptic release and the number of postsynaptic receptors, respectively. Morphological studies of these structures are greatly facilitated by the use of recent electron microscopy techniques, such as combined focused ion beam milling and scanning electron microscopy (FIB/SEM), and software tools that permit reconstruction of large numbers of synapses in three dimensions. Since the AZ and the PSD are in close apposition and have a similar surface area, they can be represented by a single surface—the synaptic apposition surface (SAS). We have developed an efficient computational technique to automatically extract this surface from synaptic junctions that have previously been three-dimensionally reconstructed from actual tissue samples imaged by automated FIB/SEM. Given its relationship with the release probability and the number of postsynaptic receptors, the surface area of the SAS is a functionally relevant measure of the size of a synapse that can complement other geometrical features like the volume of the reconstructed synaptic junction, the equivalent ellipsoid size and the Feret's diameter. PMID:23847474

Analysis of Nb 3Sn surface layers for superconducting radio frequency cavity applications

DOE PAGES

Becker, Chaoyue; Posen, Sam; Groll, Nickolas; ...

2015-02-23

Here, we present an analysis of Nb 3Sn surface layers grown on a bulk Nb coupon prepared at the same time and by the same vapor diffusion process used to make Nb 3Sn coatings on 1.3 GHz Nb cavities. Tunneling spectroscopy reveal a well developed, homogeneous superconducting density of states at the surface with a gap value distribution centered around 2.7 ± 0.4 meV and superconducting critical temperature's (T c) up to 16.3K. Transmission electron microscopy (TEM) performed on cross sections of the sample's surface shows a ~ 2 microns thick Nb 3Sn surface layer. The elemental composition map exhibitsmore » a Nb:Sn ratio of 3:1 with buried substoichiometric regions with a ratio of 5:1. Synchrotron diffraction experiments indicate a polycrystalline Nb 3Sn film and confirm the presence of Nb rich regions that occupies about a third of the coating volume. These low T c regions could play an important role in the dissipation mechanisms occurring during RF tests of Nb 3Sn -coated Nb cavities and open the way for further improving a very promising alternative to pure Nb cavities for particle accelerators.« less

Interaction model between a liquid film and a spherical probe

NASA Astrophysics Data System (ADS)

Ledesma Alonso, Rene; Legendre, Dominique; Tordjeman, Philippe

2012-11-01

To find a liquid surface profile, when performing AFM measurements, probe interaction effects should be identified. Herein, the behavior of a liquid film free surface (thickness E, surface tension γ and density difference Δρ), disposed over a flat surface and in the presence of a spherical probe (radius R) is forecast. A bump-like surface shape is observed, due to the probe/film interaction (characterized by the Hamaker constant Hpl). In addition, the attraction between the film and the substrate (depicted by Hsl) opposes the axial and radial deformation ranges. Several parameters portray the equilibrium shape: Bond Bo = (ΔρgR2) / γ and modified Hamaker Ha = 4Hpl / (3 πγR2) numbers, Hamaker ratio A =Hls /Hpl , separation distance D / R and film thickness E / R . We focus on the effect of geometry, nevertheless special attention is given to the role of physical parameters. Employing an augmented Young-Laplace equation, the equilibrium profile is described by a strongly non-linear ODE. A critical distance, below which the irreversible wetting process of the spherical probe occurs, is predicted. Our results provide simple relationships between parameters, which determine the optimal scanning conditions over liquid films.

Critical Seismic Vector Random Excitations for Multiply Supported Structures

NASA Astrophysics Data System (ADS)

Sarkar, A.; Manohar, C. S.

1998-05-01

A method for determining critical power spectral density matrix models for earthquake excitations which maximize steady response variance of linear multiply supported extended structures and which also satisfy constraints on input variance, zero crossing rates, frequency content and transmission time lag has been developed. The optimization problem is shown to be non-linear in nature and solutions are obtained by using an iterative technique which is based on linear programming method. A constraint on entropy rate as a measure of uncertainty which can be expected in realistic earthquake ground motions is proposed which makes the critical excitations more realistic. Two special cases are also considered. Firstly, when knowledge of autospectral densities is available, the critical response is shown to be produced by fully coherent excitations which are neither in-phase nor out-of-phase. The critical phase between the excitation components depends on structural parameters, but independent of the auto-spectral densities of the excitations. Secondly, when the knowledge of autospectral densities and phase spectrum of the excitations is available, the critical response is shown to be produced by a system dependent coherence function representing neither fully coherent nor fully incoherent ground motions. The applications of these special cases are discussed in the context of land-based extended structures and secondary systems such as nuclear piping assembly. Illustrative examples on critical inputs and response of sdof and a long-span suspended cable which demonstrated the various features of the approach developed are presented.

Numerical simulation of inductive method for determining spatial distribution of critical current density

NASA Astrophysics Data System (ADS)

Kamitani, A.; Takayama, T.; Tanaka, A.; Ikuno, S.

2010-11-01

The inductive method for measuring the critical current density jC in a high-temperature superconducting (HTS) thin film has been investigated numerically. In order to simulate the method, a non-axisymmetric numerical code has been developed for analyzing the time evolution of the shielding current density. In the code, the governing equation of the shielding current density is spatially discretized with the finite element method and the resulting first-order ordinary differential system is solved by using the 5th-order Runge-Kutta method with an adaptive step-size control algorithm. By using the code, the threshold current IT is evaluated for various positions of a coil. The results of computations show that, near a film edge, the accuracy of the estimating formula for jC is remarkably degraded. Moreover, even the proportional relationship between jC and IT will be lost there. Hence, the critical current density near a film edge cannot be estimated by using the inductive method.

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

Predicting critical transitions in dynamical systems from time series using nonstationary probability density modeling.

PubMed

Kwasniok, Frank

2013-11-01

A time series analysis method for predicting the probability density of a dynamical system is proposed. A nonstationary parametric model of the probability density is estimated from data within a maximum likelihood framework and then extrapolated to forecast the future probability density and explore the system for critical transitions or tipping points. A full systematic account of parameter uncertainty is taken. The technique is generic, independent of the underlying dynamics of the system. The method is verified on simulated data and then applied to prediction of Arctic sea-ice extent.

Non-equilibrium relaxation in a stochastic lattice Lotka-Volterra model

NASA Astrophysics Data System (ADS)

Chen, Sheng; Täuber, Uwe C.

2016-04-01

We employ Monte Carlo simulations to study a stochastic Lotka-Volterra model on a two-dimensional square lattice with periodic boundary conditions. If the (local) prey carrying capacity is finite, there exists an extinction threshold for the predator population that separates a stable active two-species coexistence phase from an inactive state wherein only prey survive. Holding all other rates fixed, we investigate the non-equilibrium relaxation of the predator density in the vicinity of the critical predation rate. As expected, we observe critical slowing-down, i.e., a power law dependence of the relaxation time on the predation rate, and algebraic decay of the predator density at the extinction critical point. The numerically determined critical exponents are in accord with the established values of the directed percolation universality class. Following a sudden predation rate change to its critical value, one finds critical aging for the predator density autocorrelation function that is also governed by universal scaling exponents. This aging scaling signature of the active-to-absorbing state phase transition emerges at significantly earlier times than the stationary critical power laws, and could thus serve as an advanced indicator of the (predator) population’s proximity to its extinction threshold.

Active Free Surface Density Maps

NASA Astrophysics Data System (ADS)

Çelen, S.

2016-10-01

Percolation problems were occupied to many physical problems after their establishment in 1957 by Broadbent and Hammersley. They can be used to solve complex systems such as bone remodeling. Volume fraction method was adopted to set some algorithms in the literature. However, different rate of osteoporosis could be observed for different microstructures which have the same mass density, mechanical stimuli, hormonal stimuli and nutrition. Thus it was emphasized that the bone might have identical porosity with different specific surfaces. Active free surface density of bone refers the used total area for its effective free surface. The purpose of this manuscript is to consolidate a mathematical approach which can be called as “active free surface density maps” for different surface patterns and derive their formulations. Active free surface density ratios were calculated for different Archimedean lattice models according to Helmholtz free energy and they were compared with their site and bond percolation thresholds from the background studies to derive their potential probability for bone remodeling.

Density and temperature characterization of long-scale length, near-critical density controlled plasma produced from ultra-low density plastic foam

PubMed Central

Chen, S. N.; Iwawaki, T.; Morita, K.; Antici, P.; Baton, S. D.; Filippi, F.; Habara, H.; Nakatsutsumi, M.; Nicolaï , P.; Nazarov, W.; Rousseaux, C.; Starodubstev, M.; Tanaka, K. A.; Fuchs, J.

2016-01-01

The ability to produce long-scale length (i.e. millimeter scale-length), homogeneous plasmas is of interest in studying a wide range of fundamental plasma processes. We present here a validated experimental platform to create and diagnose uniform plasmas with a density close or above the critical density. The target consists of a polyimide tube filled with an ultra low-density plastic foam where it was heated by x-rays, produced by a long pulse laser irradiating a copper foil placed at one end of the tube. The density and temperature of the ionized foam was retrieved by using x-ray radiography and proton radiography was used to verify the uniformity of the plasma. Plasma temperatures of 5–10 eV and densities around 1021 cm−3 are measured. This well-characterized platform of uniform density and temperature plasma is of interest for experiments using large-scale laser platforms conducting High Energy Density Physics investigations. PMID:26923471

A lightweight universe?

PubMed Central

Bahcall, Neta A.; Fan, Xiaohui

1998-01-01

How much matter is there in the universe? Does the universe have the critical density needed to stop its expansion, or is the universe underweight and destined to expand forever? We show that several independent measures, especially those utilizing the largest bound systems known—clusters of galaxies—all indicate that the mass-density of the universe is insufficient to halt the expansion. A promising new method, the evolution of the number density of clusters with time, provides the most powerful indication so far that the universe has a subcritical density. We show that different techniques reveal a consistent picture of a lightweight universe with only ∼20–30% of the critical density. Thus, the universe may expand forever. PMID:9600898

Efficient red luminescence from organic-soluble Au25 clusters by ligand structure modification

NASA Astrophysics Data System (ADS)

Mathew, Ammu; Varghese, Elizabeth; Choudhury, Susobhan; Pal, Samir Kumar; Pradeep, T.

2015-08-01

An efficient method to enhance visible luminescence in a visibly non-luminescent organic-soluble 4-(tert butyl)benzyl mercaptan (SBB)-stabilized Au25 cluster has been developed. This method relies mainly on enhancing the surface charge density on the cluster by creating an additional shell of thiolate on the cluster surface, which enhances visible luminescence. The viability of this method has been demonstrated by imparting red luminescence to various ligand-protected quantum clusters (QCs), observable to the naked eye. The bright red luminescent material derived from Au25SBB18 clusters was characterized using UV-vis and luminescence spectroscopy, TEM, SEM/EDS, XPS, TG, ESI and MALDI mass spectrometry, which collectively proposed an uncommon molecular formula of Au29SBB24S, suggested to be due to different stapler motifs protecting the Au25 core. The critical role of temperature on the emergence of luminescence in QCs has been studied. The restoration of the surface ligand shell on the Au25 cluster and subsequent physicochemical modification to the cluster were probed by various mass spectral and spectroscopic techniques. Our results provide fundamental insights into the ligand characteristics determining luminescence in QCs.An efficient method to enhance visible luminescence in a visibly non-luminescent organic-soluble 4-(tert butyl)benzyl mercaptan (SBB)-stabilized Au25 cluster has been developed. This method relies mainly on enhancing the surface charge density on the cluster by creating an additional shell of thiolate on the cluster surface, which enhances visible luminescence. The viability of this method has been demonstrated by imparting red luminescence to various ligand-protected quantum clusters (QCs), observable to the naked eye. The bright red luminescent material derived from Au25SBB18 clusters was characterized using UV-vis and luminescence spectroscopy, TEM, SEM/EDS, XPS, TG, ESI and MALDI mass spectrometry, which collectively proposed an uncommon molecular formula of Au29SBB24S, suggested to be due to different stapler motifs protecting the Au25 core. The critical role of temperature on the emergence of luminescence in QCs has been studied. The restoration of the surface ligand shell on the Au25 cluster and subsequent physicochemical modification to the cluster were probed by various mass spectral and spectroscopic techniques. Our results provide fundamental insights into the ligand characteristics determining luminescence in QCs. Electronic supplementary information (ESI) available: Additional data on characterization of red luminescent Au29 QC and comparison with parent Au25SBB18 are given. See DOI: 10.1039/c5nr03457d

Effect of the seed layer on the Y0.5Gd0.5Ba2Cu3O7-σ film fabricated by PLD

NASA Astrophysics Data System (ADS)

Yao, Yanjie; Wang, Wei; Liu, Linfei; Lu, Saidan; Wu, Xiang; Zheng, Tong; Liu, Shunfan; Li, Yijie

2018-06-01

The surface morphology and internal residual stress have influence on the critical current density (Jc) of REBa2Cu3O7-σ (REBCO) coated conductor. In order to modulate them, a series of Y0.5Gd0.5Ba2Cu3O7-σ (YGBCO) films were prepared by pulsed laser deposition (PLD) through introducing a seed layer in this paper. The thicknesses of seed layer changes from about 2 nm to 30 nm. For comparison, a standard sample without seed layer was fabricated at the same deposition condition. The surface morphology was illustrated by Scanning electron microscopy (SEM). The surface roughness was scanned by Atomic force microscopy (AFM). The microstructure and internal strain were measured by X-ray Diffraction (XRD). DC four-probe method was used to measure the critical current of the samples at 77 K and self-field. As a result, all samples have high Jc of about 4 MA/cm2, while the self-field Jc of the YGBCO films can be promoted by the seed layer. The results of our research work are as follows. First of all, seed layer makes the deposition of the YGBCO layer much easier to control. By this way, we can decrease the surface roughness of the samples. Furthermore, the internal residual stress of the YGBCO films with seed layer decrease. Finally, the best thickness of the seed layer was found by summarizing and analyzing the conditions of seed layer.

Crack problem in superconducting cylinder with exponential distribution of critical-current density

NASA Astrophysics Data System (ADS)

Zhao, Yufeng; Xu, Chi; Shi, Liang

2018-04-01

The general problem of a center crack in a long cylindrical superconductor with inhomogeneous critical-current distribution is studied based on the extended Bean model for zero-field cooling (ZFC) and field cooling (FC) magnetization processes, in which the inhomogeneous parameter η is introduced for characterizing the critical-current density distribution in inhomogeneous superconductor. The effect of the inhomogeneous parameter η on both the magnetic field distribution and the variations of the normalized stress intensity factors is also obtained based on the plane strain approach and J-integral theory. The numerical results indicate that the exponential distribution of critical-current density will lead a larger trapped field inside the inhomogeneous superconductor and cause the center of the cylinder to fracture more easily. In addition, it is worth pointing out that the nonlinear field distribution is unique to the Bean model by comparing the curve shapes of the magnetization loop with homogeneous and inhomogeneous critical-current distribution.

Critical current density enhancement by phase decomposition of YBa 2Cu 4O 8 into YBa 2Cu 3O 7-σ and CuO

NASA Astrophysics Data System (ADS)

Krelaus, J.; Heinemann, K.; Ullmann, B.; Freyhardt, H. C.

1995-02-01

Bulk YBa 2Cu 4O 8 (Y-124) is prepared from YBa 2Cu 3O 7-σ (Y-123) and CuO by a powder-metallurgical method. The superconducting features of the Y-124, in particular critical current densities and activation energies, are measured resistively using a four-probe technique and magnetically using a Faraday magnetometer. In a second step the Y-124 is decomposed at high temperatures. The intragranular critical current density is measured at different annealing times, tA, in order to determine and discuss the characteristics of the jc( tA) curves.

DIPPR Project 871 For 1995 - Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for Methyl Benzoate, Ethyl Benzoate, (R)-(+)-Limonene, Tert-Amyl Methyl Ether, Trans-Crotonaldehyde, and

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

Steele, W.V.

2002-07-01

Ideal-gas enthalpies of formation of methyl benzoate, ethyl benzoate, (R)-(+)-limonene, tert-amyl methyl ether, trans-crotonaldehyde, and diethylene glycol are reported. The standard energy of combustion and hence standard enthalpy of formation of each compound in the liquid phase has been measured using an oxygen rotating-bomb calorimeter without rotation. Vapor pressures were measured to a pressure limit of 270 kPa or the lower decomposition point for each of the six compounds using a twin ebulliometric apparatus. Liquid-phase densities along the saturation line were measured for each compound over a range of temperature (ambient to a maximum of 548 K). A differential scanningmore » calorimeter was used to measure two-phase (liquid + vapor) heat capacities for each compound in the temperature region ambient to the critical temperature or lower decomposition point. For methyl benzoate and tert-amyl methyl ether, critical temperatures and critical densities were determined from the DSC results and corresponding critical pressures derived from the fitting procedures. Fitting procedures were used to derive critical temperatures, critical pressures, and critical densities for each of the remaining compounds. The results of the measurements were combined to derive a series of thermophysical properties including critical temperature, critical density, critical pressure, acentric factor, enthalpies of vaporization (restricted to within {+-}50 K of the temperature region of the experimentally determined vapor pressures), and heat capacities along the saturation line. Wagner-type vapor-pressure equations were derived for each compound. All measured and derived values were compared with those obtained in a search of the literature. Recommended critical parameters are listed for each of the compounds studied. Group-additivity parameters, useful in the application of the Benson gas-phase group-contribution correlations, were derived.« less

Critical fluid light scattering

NASA Technical Reports Server (NTRS)

Gammon, Robert W.

1988-01-01

The objective is to measure the decay rates of critical density fluctuations in a simple fluid (xenon) very near its liquid-vapor critical point using laser light scattering and photon correlation spectroscopy. Such experiments were severely limited on Earth by the presence of gravity which causes large density gradients in the sample when the compressibility diverges approaching the critical point. The goal is to measure fluctuation decay rates at least two decades closer to the critical point than is possible on earth, with a resolution of 3 microK. This will require loading the sample to 0.1 percent of the critical density and taking data as close as 100 microK to the critical temperature. The minimum mission time of 100 hours will allow a complete range of temperature points to be covered, limited by the thermal response of the sample. Other technical problems have to be addressed such as multiple scattering and the effect of wetting layers. The experiment entails measurement of the scattering intensity fluctuation decay rate at two angles for each temperature and simultaneously recording the scattering intensities and sample turbidity (from the transmission). The analyzed intensity and turbidity data gives the correlation length at each temperature and locates the critical temperature. The fluctuation decay rate data from these measurements will provide a severe test of the generalized hydrodynamic theories of transport coefficients in the critical regions. When compared to equivalent data from binary liquid critical mixtures they will test the universality of critical dynamics.

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.

Ghostly Halos in Dwarf Galaxies: a probe of star formation in the Early Universe

NASA Astrophysics Data System (ADS)

Kang, Hoyoung; Ricotti, Massimo

2016-01-01

We carry out numerical simulations to characterize the size, stellar mass, and stellar mass surface density of extended stellar halos in dwarf galaxies as a function of dark matter halo mass. We expect that for galaxies smaller than a critical value, these ghostly halos will not exist because the smaller galactic subunits that build it up, do not form any stars. The detection of ghostly halos around isolated dwarf galaxies is a sensitive test of the efficiency of star formation in the first galaxies and of whether ultra-faint dwarf satellites of the Milky Way are fossils of the first galaxies.

Single-particle spectral functions in the normal phase of a strongly attractive Bose-Fermi mixture

NASA Astrophysics Data System (ADS)

Fratini, E.; Pieri, P.

2013-07-01

We calculate the single-particle spectral functions and quasiparticle dispersions for a Bose-Fermi mixture when the boson-fermion attraction is sufficiently strong to suppress completely the condensation of bosons at zero temperature. Within a T-matrix diagrammatic approach, we vary the boson-fermion attraction from the critical value where the boson condensate first disappears to the strongly attractive (molecular) regime and study the effect of both mass and density imbalance on the spectral weights and dispersions. An interesting spectrum of particle-hole excitations mixing two different Fermi surfaces is found. These unconventional excitations could be produced and explored experimentally with radio-frequency spectroscopy.

Holographic entanglement entropy of a 1 + 1 dimensional p-wave superconductor

NASA Astrophysics Data System (ADS)

Das, Sumit R.; Fujita, Mitsutoshi; Kim, Bom Soo

2017-09-01

We examine the behavior of entanglement entropy S A EE of a subsystem A in a fully backreacted holographic model of a 1 + 1 dimensional p wave superconductor across the phase transition. For a given temperature, the system goes to a superconducting phase beyond a critical value of the charge density. The entanglement entropy, considered as a function of the charge density at a given temperature, has a cusp at the critical point. In addition, we find that there are three different behaviors in the condensed phase, depending on the subsystem size. For a subsystem size l smaller than a critical size l c1, S A EE continues to increase as a function of the charge density as we cross the phase transition. When l lies between l c1 and another critical size l c2 the entanglement entropy displays a non-monotonic behavior, while for l > l c2 it decreases monotonically. At large charge densities S A EE appears to saturate. The non-monotonic behavior leads to a novel phase diagram for this system.

Effect of two medium chain triglycerides-supplemented diets on synaptic morphology in the cerebellar cortex of late-adult rats.

PubMed

Balietti, Marta; Fattoretti, Patrizia; Giorgetti, Belinda; Casoli, Tiziana; Di Stefano, Giuseppina; Platano, Daniela; Aicardi, Giorgio; Lattanzio, Fabrizia; Bertoni-Freddari, Carlo

2009-12-01

Ketogenic diets (KDs) have shown beneficial effects in experimental models of neurodegeneration, designating aged individuals as possible recipients. However, few studies have investigated their consequences on aging brain. Here, late-adult rats (19 months of age) were fed for 8 weeks with two medium chain triglycerides-supplemented diets (MCT-SDs) and the average area (S), numeric density (Nv(s)), and surface density (S(v)) of synapses, as well as the average volume (V), numeric density (Nv(m)), and volume density (V(v)) of synaptic mitochondria were evaluated in granule cell layer of the cerebellar cortex (GCL-CCx) by computer-assisted morphometric methods. MCT content was 10 or 20%. About 10%MCT-SD induced the early appearance of senescent patterns (decreased Nv(s) and Nv(m); increased V), whereas 20%MCT-SD caused no changes. Recently, we have shown that both MCT-SDs accelerate aging in the stratum moleculare of CA1 (SM CA1), but are "antiaging" in the outer molecular layer of dentate gyrus (OML DG). Since GCL-CCx is more vulnerable to age than OML DG but less than SM CA1, present and previous results suggest that the effects of MCT-SDs in the aging brain critically depend on neuronal vulnerability to age, besides MCT percentage.

Apparatus and method for measuring critical current properties of a coated conductor

DOEpatents

Mueller, Fred M [Los Alamos, NM; Haenisch, Jens [Dresden, DE

2012-07-24

The transverse critical-current uniformity in a superconducting tape was determined using a magnetic knife apparatus. A critical current I.sub.c distribution and transverse critical current density J.sub.c distribution in YBCO coated conductors was measured nondestructively with high resolution using a magnetic knife apparatus. The method utilizes the strong depression of J.sub.c in applied magnetic fields. A narrow region of low, including zero, magnetic field in a surrounding higher field is moved transversely across a sample of coated conductor. This reveals the critical current density distribution. A Fourier series inversion process was used to determine the transverse J.sub.c distribution in the sample.

Critical current and electric transport properties of superconducting epitaxial Nb(Ti)N submicron structures

NASA Astrophysics Data System (ADS)

Klimov, A.; Słysz, W.; Guziewicz, M.; Kolkovsky, V.; Wegrzecki, M.; Bar, J.; Marchewka, M.; Seredyński, B.

2016-12-01

Critical current and current-voltage characteristics of epitaxial Nb(Ti)N submicron ultrathin structures were measured as function of temperature. For 700-nm-wide bridge we found current-driven vortex de-pinning at low temperatures and thermally activated flux flow closer to the transition temperature, as the limiting factors for the critical current density. For 100-nm-wide meander we observed combination of phase-slip activation and vortex-anti-vortex pair (VAP) thermal excitation. Our Nb(Ti)N meander structure demonstrates high de-pairing critical current densities 107 A/cm2 at low temperatures, but the critical currents are much smaller due to presence of the local constrictions.

Cell density-dependent differential proliferation of neural stem cells on omnidirectional nanopore-arrayed surface.

PubMed

Cha, Kyoung Je; Kong, Sun-Young; Lee, Ji Soo; Kim, Hyung Woo; Shin, Jae-Yeon; La, Moonwoo; Han, Byung Woo; Kim, Dong Sung; Kim, Hyun-Jung

2017-10-12

Recently, the importance of surface nanotopography in the determination of stem cell fate and behavior has been revealed. In the current study, we generated polystyrene cell-culture dishes with an omnidirectional nanopore arrayed surface (ONAS) (diameter: 200 nm, depth: 500 nm, center-to-center distance: 500 nm) and investigated the effects of nanotopography on rat neural stem cells (NSCs). NSCs cultured on ONAS proliferated better than those on the flat surface when cell density was low and showed less spontaneous differentiation during proliferation in the presence of mitogens. Interestingly, NSCs cultured on ONAS at clonal density demonstrated a propensity to generate neurospheres, whereas those on the flat surface migrated out, proliferated as individuals, and spread out to attach to the surface. However, the differential patterns of proliferation were cell density-dependent since the distinct phenomena were lost when cell density was increased. ONAS modulated cytoskeletal reorganization and inhibited formation of focal adhesion, which is generally observed in NSCs grown on flat surfaces. ONAS appeared to reinforce NSC-NSC interaction, restricted individual cell migration and prohibited NSC attachment to the nanopore surface. These data demonstrate that ONAS maintains NSCs as undifferentiated while retaining multipotency and is a better topography for culturing low density NSCs.

A modified gradient approach for the growth of low-density InAs quantum dot molecules by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Sharma, Nandlal; Reuter, Dirk

2017-11-01

Two vertically stacked quantum dots that are electronically coupled, so called quantum dot molecules, are of great interest for the realization of solid state building blocks for quantum communication networks. We present a modified gradient approach to realize InAs quantum dot molecules with a low areal density so that single quantum dot molecules can be optically addressed. The individual quantum dot layers were prepared by solid source molecular beam epitaxy depositing InAs on GaAs(100). The bottom quantum dot layer has been grown without substrate rotation resulting in an In-gradient across the surface, which translated into a density gradient with low quantum dot density in a certain region of the wafer. For the top quantum dot layer, separated from the bottom quantum dot layer by a 6 nm thick GaAs barrier, various InAs amounts were deposited without an In-gradient. In spite of the absence of an In-gradient, a pronounced density gradient is observed for the top quantum dots. Even for an In-amount slightly below the critical thickness for a single dot layer, a density gradient in the top quantum dot layer, which seems to reproduce the density gradient in the bottom layer, is observed. For more or less In, respectively, deviations from this behavior occur. We suggest that the obvious influence of the bottom quantum dot layer on the growth of the top quantum dots is due to the strain field induced by the buried dots.

Surface Hold Advisor Using Critical Sections

NASA Technical Reports Server (NTRS)

Law, Caleb Hoi Kei (Inventor); Hsiao, Thomas Kun-Lung (Inventor); Mittler, Nathan C. (Inventor); Couluris, George J. (Inventor)

2013-01-01

The Surface Hold Advisor Using Critical Sections is a system and method for providing hold advisories to surface controllers to prevent gridlock and resolve crossing and merging conflicts among vehicles traversing a vertex-edge graph representing a surface traffic network on an airport surface. The Advisor performs pair-wise comparisons of current position and projected path of each vehicle with other surface vehicles to detect conflicts, determine critical sections, and provide hold advisories to traffic controllers recommending vehicles stop at entry points to protected zones around identified critical sections. A critical section defines a segment of the vertex-edge graph where vehicles are in crossing or merging or opposite direction gridlock contention. The Advisor detects critical sections without reference to scheduled, projected or required times along assigned vehicle paths, and generates hold advisories to prevent conflicts without requiring network path direction-of-movement rules and without requiring rerouting, rescheduling or other network optimization solutions.

Molecular dynamics simulation study of the structure of poly(ethylene oxide) brushes on nonpolar surfaces in aqueous solution.

PubMed

Bedrov, Dmitry; Smith, Grant D

2006-07-04

The structure of poly(ethylene oxide) (PEO, M(w) = 526) brushes of various grafting density (sigma) on nonpolar graphite and hydrophobic (oily) surfaces in aqueous solution has been studied using atomistic molecular dynamics simulations. Additionally, the influence of PEO-surface interactions on the brush structure was investigated by systematically reducing the strength of the (dispersion) attraction between PEO and the surfaces. PEO chains were found to adsorb strongly to the graphite surface due primarily to the relative strength of dispersion interactions between PEO and the atomically dense graphite compared to those between water and graphite. For the oily surface, PEO-surface and water-surface dispersion interactions are much weaker, greatly reducing the energetic driving force for PEO adsorption. This reduction is mediated to some extent by a hydrophobic driving force for PEO adsorption on the oily surface. Reduction in the strength of PEO-surface attraction results in reduced adsorption of PEO for both surfaces, with the effect being much greater for the graphite surface where the strong PEO-surface dispersion interactions dominate. At high grafting density (sigma approximately 1/R(g)(2)), the PEO density profiles exhibited classical brush behavior and were largely independent of the strength of the PEO-surface interaction. With decreasing grafting density (sigma < 1/R(g)(2)), coverage of the surface by PEO requires an increasingly large fraction of PEO segments resulting in a strong dependence of the PEO density profile on the nature of the PEO-surface interaction.

Supercritical Water Mixture (SCWM) Experiment in the High Temperature Insert-Reflight (HTI-R)

NASA Technical Reports Server (NTRS)

Hicks, Michael C.; Hegde, Uday G.; Garrabos, Yves; Lecoutre, Carole; Zappoli, Bernard

2013-01-01

Current research on supercritical water processes on board the International Space Station (ISS) focuses on salt precipitation and transport in a test cell designed for supercritical water. This study, known as the Supercritical Water Mixture Experiment (SCWM) serves as a precursor experiment for developing a better understanding of inorganic salt precipitation and transport during supercritical water oxidation (SCWO) processes for the eventual application of this technology for waste management and resource reclamation in microgravity conditions. During typical SCWO reactions any inorganic salts present in the reactant stream will precipitate and begin to coat reactor surfaces and control mechanisms (e.g., valves) often severely impacting the systems performance. The SCWM experiment employs a Sample Cell Unit (SCU) filled with an aqueous solution of Na2SO4 0.5-w at the critical density and uses a refurbished High Temperature Insert, which was used in an earlier ISS experiment designed to study pure water at near-critical conditions. The insert, designated as the HTI-Reflight (HTI-R) will be deployed in the DECLIC (Device for the Study of Critical Liquids and Crystallization) Facility on the International Space Station (ISS). Objectives of the study include measurement of the shift in critical temperature due to the presence of the inorganic salt, assessment of the predominant mode of precipitation (i.e., heterogeneously on SCU surfaces or homogeneously in the bulk fluid), determination of the salt morphology including size and shapes of particulate clusters, and the determination of the dominant mode of transport of salt particles in the presence of an imposed temperature gradient. Initial results from the ISS experiments will be presented and compared to findings from laboratory experiments on the ground.

Van der Waals model for phase transitions in thermoresponsive surface films.

PubMed

McCoy, John D; Curro, John G

2009-05-21

Phase transitions in polymeric surface films are studied with a simple model based on the van der Waals equation of state. Each chain is modeled by a single bead attached to the surface by an entropic-Hooke's law spring. The surface coverage is controlled by adjusting the chemical potential, and the equilibrium density profile is calculated with density functional theory. The interesting feature of this model is the multivalued nature of the density profile seen at low temperature. This van der Waals loop behavior is resolved with a Maxwell construction between a high-density phase near the wall and a low-density phase in a "vertical" phase transition. Signatures of the phase transition in experimentally measurable quantities are then found. Numerical calculations are presented for isotherms of surface pressure, for the Poisson ratio, and for the swelling ratio.